Science.gov

Sample records for accurate mass detection

  1. Accurate Mass Assignment of Native Protein Complexes Detected by Electrospray Mass Spectrometry

    PubMed Central

    Liepold, Lars O.; Oltrogge, Luke M.; Suci, Peter; Douglas, Trevor; Young, Mark J.

    2009-01-01

    Correct charge state assignment is crucial to assigning an accurate mass to supramolecular complexes analyzed by electrospray mass spectrometry. Conventional charge state assignment techniques fall short of reliably and unambiguously predicting the correct charge state for many supramolecular complexes. We provide an explanation of the shortcomings of the conventional techniques and have developed a robust charge state assignment method that is applicable to all spectra. PMID:19103497

  2. Dynamic Bayesian Network for Accurate Detection of Peptides from Tandem Mass Spectra.

    PubMed

    Halloran, John T; Bilmes, Jeff A; Noble, William S

    2016-08-05

    A central problem in mass spectrometry analysis involves identifying, for each observed tandem mass spectrum, the corresponding generating peptide. We present a dynamic Bayesian network (DBN) toolkit that addresses this problem by using a machine learning approach. At the heart of this toolkit is a DBN for Rapid Identification (DRIP), which can be trained from collections of high-confidence peptide-spectrum matches (PSMs). DRIP's score function considers fragment ion matches using Gaussians rather than fixed fragment-ion tolerances and also finds the optimal alignment between the theoretical and observed spectrum by considering all possible alignments, up to a threshold that is controlled using a beam-pruning algorithm. This function not only yields state-of-the art database search accuracy but also can be used to generate features that significantly boost the performance of the Percolator postprocessor. The DRIP software is built upon a general purpose DBN toolkit (GMTK), thereby allowing a wide variety of options for user-specific inference tasks as well as facilitating easy modifications to the DRIP model in future work. DRIP is implemented in Python and C++ and is available under Apache license at http://melodi-lab.github.io/dripToolkit .

  3. Accurate mass determination, quantification and determination of detection limits in liquid chromatography-high-resolution time-of-flight mass spectrometry: challenges and practical solutions.

    PubMed

    Vergeynst, Leendert; Van Langenhove, Herman; Joos, Pieter; Demeestere, Kristof

    2013-07-30

    Uniform guidelines for the data processing and validation of qualitative and quantitative multi-residue analysis using full-spectrum high-resolution mass spectrometry are scarce. Through systematic research, optimal mass accuracy and sensitivity are obtained after refining the post-processing of the HRMS data. For qualitative analysis, transforming the raw profile spectra to centroid spectra is recommended resulting in a 2.3 fold improved precision on the accurate mass determination of spectrum peaks. However, processing centroid data for quantitative purposes could lead to signal interruption when too narrow mass windows are applied for the construction of extracted ion chromatograms. Therefore, peak integration on the raw profile data is recommended. An optimal width of the mass window of 50 ppm, which is a trade-off between sensitivity and selectivity, was obtained for a TOF instrument providing a resolving power of 20,000 at full width at half maximum (FWHM). For the validation of HRMS analytical methods, widespread concepts such as the signal-to-noise ratios for the determination of decision limits and detection capabilities have shown to be not always applicable because in some cases almost no noise can be detected anymore. A statistical methodology providing a reliable alternative is extended and applied.

  4. Detection and quantitation of trace phenolphthalein (in pharmaceutical preparations and in forensic exhibits) by liquid chromatography-tandem mass spectrometry, a sensitive and accurate method.

    PubMed

    Sharma, Kakali; Sharma, Shiba P; Lahiri, Sujit C

    2013-01-01

    Phenolphthalein, an acid-base indicator and laxative, is important as a constituent of widely used weight-reducing multicomponent food formulations. Phenolphthalein is an useful reagent in forensic science for the identification of blood stains of suspected victims and for apprehending erring officials accepting bribes in graft or trap cases. The pink-colored alkaline hand washes originating from the phenolphthalein-smeared notes can easily be determined spectrophotometrically. But in many cases, colored solution turns colorless with time, which renders the genuineness of bribe cases doubtful to the judiciary. No method is known till now for the detection and identification of phenolphthalein in colorless forensic exhibits with positive proof. Liquid chromatography-tandem mass spectrometry had been found to be most sensitive, accurate method capable of detection and quantitation of trace phenolphthalein in commercial formulations and colorless forensic exhibits with positive proof. The detection limit of phenolphthalein was found to be 1.66 pg/L or ng/mL, and the calibration curve shows good linearity (r(2) = 0.9974).

  5. Extensive Peptide Fractionation and y1 Ion-Based Interference Detection Method for Enabling Accurate Quantification by Isobaric Labeling and Mass Spectrometry.

    PubMed

    Niu, Mingming; Cho, Ji-Hoon; Kodali, Kiran; Pagala, Vishwajeeth; High, Anthony A; Wang, Hong; Wu, Zhiping; Li, Yuxin; Bi, Wenjian; Zhang, Hui; Wang, Xusheng; Zou, Wei; Peng, Junmin

    2017-02-22

    Isobaric labeling quantification by mass spectrometry (MS) has emerged as a powerful technology for multiplexed large-scale protein profiling, but measurement accuracy in complex mixtures is confounded by the interference from coisolated ions, resulting in ratio compression. Here we report that the ratio compression can be essentially resolved by the combination of pre-MS peptide fractionation, MS2-based interference detection, and post-MS computational interference correction. To recapitulate the complexity of biological samples, we pooled tandem mass tag (TMT)-labeled Escherichia coli peptides at 1:3:10 ratios and added in ∼20-fold more rat peptides as background, followed by the analysis of two-dimensional liquid chromatography (LC)-MS/MS. Systematic investigation shows that quantitative interference was impacted by LC fractionation depth, MS isolation window, and peptide loading amount. Exhaustive fractionation (320 × 4 h) can nearly eliminate the interference and achieve results comparable to the MS3-based method. Importantly, the interference in MS2 scans can be estimated by the intensity of contaminated y1 product ions, and we thus developed an algorithm to correct reporter ion ratios of tryptic peptides. Our data indicate that intermediate fractionation (40 × 2 h) and y1 ion-based correction allow accurate and deep TMT profiling of more than 10 000 proteins, which represents a straightforward and affordable strategy in isobaric labeling proteomics.

  6. High Frequency QRS ECG Accurately Detects Cardiomyopathy

    NASA Technical Reports Server (NTRS)

    Schlegel, Todd T.; Arenare, Brian; Poulin, Gregory; Moser, Daniel R.; Delgado, Reynolds

    2005-01-01

    High frequency (HF, 150-250 Hz) analysis over the entire QRS interval of the ECG is more sensitive than conventional ECG for detecting myocardial ischemia. However, the accuracy of HF QRS ECG for detecting cardiomyopathy is unknown. We obtained simultaneous resting conventional and HF QRS 12-lead ECGs in 66 patients with cardiomyopathy (EF = 23.2 plus or minus 6.l%, mean plus or minus SD) and in 66 age- and gender-matched healthy controls using PC-based ECG software recently developed at NASA. The single most accurate ECG parameter for detecting cardiomyopathy was an HF QRS morphological score that takes into consideration the total number and severity of reduced amplitude zones (RAZs) present plus the clustering of RAZs together in contiguous leads. This RAZ score had an area under the receiver operator curve (ROC) of 0.91, and was 88% sensitive, 82% specific and 85% accurate for identifying cardiomyopathy at optimum score cut-off of 140 points. Although conventional ECG parameters such as the QRS and QTc intervals were also significantly longer in patients than controls (P less than 0.001, BBBs excluded), these conventional parameters were less accurate (area under the ROC = 0.77 and 0.77, respectively) than HF QRS morphological parameters for identifying underlying cardiomyopathy. The total amplitude of the HF QRS complexes, as measured by summed root mean square voltages (RMSVs), also differed between patients and controls (33.8 plus or minus 11.5 vs. 41.5 plus or minus 13.6 mV, respectively, P less than 0.003), but this parameter was even less accurate in distinguishing the two groups (area under ROC = 0.67) than the HF QRS morphologic and conventional ECG parameters. Diagnostic accuracy was optimal (86%) when the RAZ score from the HF QRS ECG and the QTc interval from the conventional ECG were used simultaneously with cut-offs of greater than or equal to 40 points and greater than or equal to 445 ms, respectively. In conclusion 12-lead HF QRS ECG employing

  7. Accurate glucose detection in a small etalon

    NASA Astrophysics Data System (ADS)

    Martini, Joerg; Kuebler, Sebastian; Recht, Michael; Torres, Francisco; Roe, Jeffrey; Kiesel, Peter; Bruce, Richard

    2010-02-01

    We are developing a continuous glucose monitor for subcutaneous long-term implantation. This detector contains a double chamber Fabry-Perot-etalon that measures the differential refractive index (RI) between a reference and a measurement chamber at 850 nm. The etalon chambers have wavelength dependent transmission maxima which dependent linearly on the RI of their contents. An RI difference of ▵n=1.5.10-6 changes the spectral position of a transmission maximum by 1pm in our measurement. By sweeping the wavelength of a single-mode Vertical-Cavity-Surface-Emitting-Laser (VCSEL) linearly in time and detecting the maximum transmission peaks of the etalon we are able to measure the RI of a liquid. We have demonstrated accuracy of ▵n=+/-3.5.10-6 over a ▵n-range of 0 to 1.75.10-4 and an accuracy of 2% over a ▵nrange of 1.75.10-4 to 9.8.10-4. The accuracy is primarily limited by the reference measurement. The RI difference between the etalon chambers is made specific to glucose by the competitive, reversible release of Concanavalin A (ConA) from an immobilized dextran matrix. The matrix and ConA bound to it, is positioned outside the optical detection path. ConA is released from the matrix by reacting with glucose and diffuses into the optical path to change the RI in the etalon. Factors such as temperature affect the RI in measurement and detection chamber equally but do not affect the differential measurement. A typical standard deviation in RI is +/-1.4.10-6 over the range 32°C to 42°C. The detector enables an accurate glucose specific concentration measurement.

  8. Evaluation and validation of an accurate mass screening method for the analysis of pesticides in fruits and vegetables using liquid chromatography-quadrupole-time of flight-mass spectrometry with automated detection.

    PubMed

    López, Mónica García; Fussell, Richard J; Stead, Sara L; Roberts, Dominic; McCullagh, Mike; Rao, Ramesh

    2014-12-19

    This study reports the development and validation of a screening method for the detection of pesticides in 11 different fruit and vegetable commodities. The method was based on ultra performance liquid chromatography-quadrupole-time of flight-mass spectrometry (UPLC-QTOF-MS). The objective was to validate the method in accordance with the SANCO guidance document (12571/2013) on analytical quality control and validation procedures for pesticide residues analysis in food and feed. Samples were spiked with 199 pesticides, each at two different concentrations (0.01 and 0.05 mg kg(-1)) and extracted using the QuEChERS approach. Extracts were analysed by UPLC-QTOF-MS using generic acquisition parameters. Automated detection and data filtering were performed using the UNIFI™ software and the peaks detected evaluated against a proprietary scientific library containing information for 504 pesticides. The results obtained using different data processing parameters were evaluated for 4378 pesticide/commodities combinations at 0.01 and 0.05 mg kg(-1). Using mass accuracy (± 5 ppm) with retention time (± 0.2 min) and a low response threshold (100 counts) the validated Screening Detection Limits (SDLs) were 0.01 mg kg(-1) and 0.05 mg kg(-1) for 57% and 79% of the compounds tested, respectively, with an average of 10 false detects per sample analysis. Excluding the most complex matrices (onion and leek) the detection rates increased to 69% and 87%, respectively. The use of additional parameters such as isotopic pattern and fragmentation information further reduced the number of false detects but compromised the detection rates, particularly at lower residue concentrations. The challenges associated with the validation and subsequent implementation of a pesticide multi-residue screening method are also discussed.

  9. Accurate detection of differential RNA processing

    PubMed Central

    Drewe, Philipp; Stegle, Oliver; Hartmann, Lisa; Kahles, André; Bohnert, Regina; Wachter, Andreas; Borgwardt, Karsten; Rätsch, Gunnar

    2013-01-01

    Deep transcriptome sequencing (RNA-Seq) has become a vital tool for studying the state of cells in the context of varying environments, genotypes and other factors. RNA-Seq profiling data enable identification of novel isoforms, quantification of known isoforms and detection of changes in transcriptional or RNA-processing activity. Existing approaches to detect differential isoform abundance between samples either require a complete isoform annotation or fall short in providing statistically robust and calibrated significance estimates. Here, we propose a suite of statistical tests to address these open needs: a parametric test that uses known isoform annotations to detect changes in relative isoform abundance and a non-parametric test that detects differential read coverages and can be applied when isoform annotations are not available. Both methods account for the discrete nature of read counts and the inherent biological variability. We demonstrate that these tests compare favorably to previous methods, both in terms of accuracy and statistical calibrations. We use these techniques to analyze RNA-Seq libraries from Arabidopsis thaliana and Drosophila melanogaster. The identified differential RNA processing events were consistent with RT–qPCR measurements and previous studies. The proposed toolkit is available from http://bioweb.me/rdiff and enables in-depth analyses of transcriptomes, with or without available isoform annotation. PMID:23585274

  10. Quantitative proteomic analysis by accurate mass retention time pairs.

    PubMed

    Silva, Jeffrey C; Denny, Richard; Dorschel, Craig A; Gorenstein, Marc; Kass, Ignatius J; Li, Guo-Zhong; McKenna, Therese; Nold, Michael J; Richardson, Keith; Young, Phillip; Geromanos, Scott

    2005-04-01

    Current methodologies for protein quantitation include 2-dimensional gel electrophoresis techniques, metabolic labeling, and stable isotope labeling methods to name only a few. The current literature illustrates both pros and cons for each of the previously mentioned methodologies. Keeping with the teachings of William of Ockham, "with all things being equal the simplest solution tends to be correct", a simple LC/MS based methodology is presented that allows relative changes in abundance of proteins in highly complex mixtures to be determined. Utilizing a reproducible chromatographic separations system along with the high mass resolution and mass accuracy of an orthogonal time-of-flight mass spectrometer, the quantitative comparison of tens of thousands of ions emanating from identically prepared control and experimental samples can be made. Using this configuration, we can determine the change in relative abundance of a small number of ions between the two conditions solely by accurate mass and retention time. Employing standard operating procedures for both sample preparation and ESI-mass spectrometry, one typically obtains under 5 ppm mass precision and quantitative variations between 10 and 15%. The principal focus of this paper will demonstrate the quantitative aspects of the methodology and continue with a discussion of the associated, complementary qualitative capabilities.

  11. Accurately Detecting Students' Lies regarding Relational Aggression by Correctional Instructions

    ERIC Educational Resources Information Center

    Dickhauser, Oliver; Reinhard, Marc-Andre; Marksteiner, Tamara

    2012-01-01

    This study investigates the effect of correctional instructions when detecting lies about relational aggression. Based on models from the field of social psychology, we predict that correctional instruction will lead to a less pronounced lie bias and to more accurate lie detection. Seventy-five teachers received videotapes of students' true denial…

  12. A fast and accurate FPGA based QRS detection system.

    PubMed

    Shukla, Ashish; Macchiarulo, Luca

    2008-01-01

    An accurate Field Programmable Gate Array (FPGA) based ECG Analysis system is described in this paper. The design, based on a popular software based QRS detection algorithm, calculates the threshold value for the next peak detection cycle, from the median of eight previously detected peaks. The hardware design has accuracy in excess of 96% in detecting the beats correctly when tested with a subset of five 30 minute data records obtained from the MIT-BIH Arrhythmia database. The design, implemented using a proprietary design tool (System Generator), is an extension of our previous work and uses 76% resources available in a small-sized FPGA device (Xilinx Spartan xc3s500), has a higher detection accuracy as compared to our previous design and takes almost half the analysis time in comparison to software based approach.

  13. Application of the accurate mass and time tag approach in studies of the human blood lipidome

    PubMed Central

    Ding, Jie; Sorensen, Christina M.; Jaitly, Navdeep; Jiang, Hongliang; Orton, Daniel J.; Monroe, Matthew E.; Moore, Ronald J.; Smith, Richard D.; Metz, Thomas O.

    2008-01-01

    We report a preliminary demonstration of the accurate mass and time (AMT) tag approach for lipidomics. Initial data-dependent LC-MS/MS analyses of human plasma, erythrocyte, and lymphocyte lipids were performed in order to identify lipid molecular species in conjunction with complementary accurate mass and isotopic distribution information. Identified lipids were used to populate initial lipid AMT tag databases containing 250 and 45 entries for those species detected in positive and negative electrospray ionization (ESI) modes, respectively. The positive ESI database was then utilized to identify human plasma, erythrocyte, and lymphocyte lipids in high-throughput LC-MS analyses based on the AMT tag approach. We were able to define the lipid profiles of human plasma, erythrocytes, and lymphocytes based on qualitative and quantitative differences in lipid abundance. PMID:18502191

  14. Building dynamic population graph for accurate correspondence detection.

    PubMed

    Du, Shaoyi; Guo, Yanrong; Sanroma, Gerard; Ni, Dong; Wu, Guorong; Shen, Dinggang

    2015-12-01

    In medical imaging studies, there is an increasing trend for discovering the intrinsic anatomical difference across individual subjects in a dataset, such as hand images for skeletal bone age estimation. Pair-wise matching is often used to detect correspondences between each individual subject and a pre-selected model image with manually-placed landmarks. However, the large anatomical variability across individual subjects can easily compromise such pair-wise matching step. In this paper, we present a new framework to simultaneously detect correspondences among a population of individual subjects, by propagating all manually-placed landmarks from a small set of model images through a dynamically constructed image graph. Specifically, we first establish graph links between models and individual subjects according to pair-wise shape similarity (called as forward step). Next, we detect correspondences for the individual subjects with direct links to any of model images, which is achieved by a new multi-model correspondence detection approach based on our recently-published sparse point matching method. To correct those inaccurate correspondences, we further apply an error detection mechanism to automatically detect wrong correspondences and then update the image graph accordingly (called as backward step). After that, all subject images with detected correspondences are included into the set of model images, and the above two steps of graph expansion and error correction are repeated until accurate correspondences for all subject images are established. Evaluations on real hand X-ray images demonstrate that our proposed method using a dynamic graph construction approach can achieve much higher accuracy and robustness, when compared with the state-of-the-art pair-wise correspondence detection methods as well as a similar method but using static population graph.

  15. Accurate mass - time tag library for LC/MS-based metabolite profiling of medicinal plants

    PubMed Central

    Cuthbertson, Daniel J.; Johnson, Sean R.; Piljac-Žegarac, Jasenka; Kappel, Julia; Schäfer, Sarah; Wüst, Matthias; Ketchum, Raymond E. B.; Croteau, Rodney B.; Marques, Joaquim V.; Davin, Laurence B.; Lewis, Norman G.; Rolf, Megan; Kutchan, Toni M.; Soejarto, D. Doel; Lange, B. Markus

    2013-01-01

    We report the development and testing of an accurate mass – time (AMT) tag approach for the LC/MS-based identification of plant natural products (PNPs) in complex extracts. An AMT tag library was developed for approximately 500 PNPs with diverse chemical structures, detected in electrospray and atmospheric pressure chemical ionization modes (both positive and negative polarities). In addition, to enable peak annotations with high confidence, MS/MS spectra were acquired with three different fragmentation energies. The LC/MS and MS/MS data sets were integrated into online spectral search tools and repositories (Spektraris and MassBank), thus allowing users to interrogate their own data sets for the potential presence of PNPs. The utility of the AMT tag library approach is demonstrated by the detection and annotation of active principles in 27 different medicinal plant species with diverse chemical constituents. PMID:23597491

  16. Accurate colon residue detection algorithm with partial volume segmentation

    NASA Astrophysics Data System (ADS)

    Li, Xiang; Liang, Zhengrong; Zhang, PengPeng; Kutcher, Gerald J.

    2004-05-01

    Colon cancer is the second leading cause of cancer-related death in the United States. Earlier detection and removal of polyps can dramatically reduce the chance of developing malignant tumor. Due to some limitations of optical colonoscopy used in clinic, many researchers have developed virtual colonoscopy as an alternative technique, in which accurate colon segmentation is crucial. However, partial volume effect and existence of residue make it very challenging. The electronic colon cleaning technique proposed by Chen et al is a very attractive method, which is also kind of hard segmentation method. As mentioned in their paper, some artifacts were produced, which might affect the accurate colon reconstruction. In our paper, instead of labeling each voxel with a unique label or tissue type, the percentage of different tissues within each voxel, which we call a mixture, was considered in establishing a maximum a posterior probability (MAP) image-segmentation framework. A Markov random field (MRF) model was developed to reflect the spatial information for the tissue mixtures. The spatial information based on hard segmentation was used to determine which tissue types are in the specific voxel. Parameters of each tissue class were estimated by the expectation-maximization (EM) algorithm during the MAP tissue-mixture segmentation. Real CT experimental results demonstrated that the partial volume effects between four tissue types have been precisely detected. Meanwhile, the residue has been electronically removed and very smooth and clean interface along the colon wall has been obtained.

  17. ACCURATE LOW-MASS STELLAR MODELS OF KOI-126

    SciTech Connect

    Feiden, Gregory A.; Chaboyer, Brian; Dotter, Aaron

    2011-10-10

    The recent discovery of an eclipsing hierarchical triple system with two low-mass stars in a close orbit (KOI-126) by Carter et al. appeared to reinforce the evidence that theoretical stellar evolution models are not able to reproduce the observational mass-radius relation for low-mass stars. We present a set of stellar models for the three stars in the KOI-126 system that show excellent agreement with the observed radii. This agreement appears to be due to the equation of state implemented by our code. A significant dispersion in the observed mass-radius relation for fully convective stars is demonstrated; indicative of the influence of physics currently not incorporated in standard stellar evolution models. We also predict apsidal motion constants for the two M dwarf companions. These values should be observationally determined to within 1% by the end of the Kepler mission.

  18. Quantitative proteomics using the high resolution accurate mass capabilities of the quadrupole-orbitrap mass spectrometer.

    PubMed

    Gallien, Sebastien; Domon, Bruno

    2014-08-01

    High resolution/accurate mass hybrid mass spectrometers have considerably advanced shotgun proteomics and the recent introduction of fast sequencing capabilities has expanded its use for targeted approaches. More specifically, the quadrupole-orbitrap instrument has a unique configuration and its new features enable a wide range of experiments. An overview of the analytical capabilities of this instrument is presented, with a focus on its application to quantitative analyses. The high resolution, the trapping capability and the versatility of the instrument have allowed quantitative proteomic workflows to be redefined and new data acquisition schemes to be developed. The initial proteomic applications have shown an improvement of the analytical performance. However, as quantification relies on ion trapping, instead of ion beam, further refinement of the technique can be expected.

  19. A highly accurate method for the determination of mass and center of mass of a spacecraft

    NASA Technical Reports Server (NTRS)

    Chow, E. Y.; Trubert, M. R.; Egwuatu, A.

    1978-01-01

    An extremely accurate method for the measurement of mass and the lateral center of mass of a spacecraft has been developed. The method was needed for the Voyager spacecraft mission requirement which limited the uncertainty in the knowledge of lateral center of mass of the spacecraft system weighing 750 kg to be less than 1.0 mm (0.04 in.). The method consists of using three load cells symmetrically located at 120 deg apart on a turntable with respect to the vertical axis of the spacecraft and making six measurements for each load cell. These six measurements are taken by cyclic rotations of the load cell turntable and of the spacecraft, about the vertical axis of the measurement fixture. This method eliminates all alignment, leveling, and load cell calibration errors for the lateral center of mass determination, and permits a statistical best fit of the measurement data. An associated data reduction computer program called MASCM has been written to implement this method and has been used for the Voyager spacecraft.

  20. Accurate, reliable control of process gases by mass flow controllers

    SciTech Connect

    Hardy, J.; McKnight, T.

    1997-02-01

    The thermal mass flow controller, or MFC, has become an instrument of choice for the monitoring and controlling of process gas flow throughout the materials processing industry. These MFCs are used on CVD processes, etching tools, and furnaces and, within the semiconductor industry, are used on 70% of the processing tools. Reliability and accuracy are major concerns for the users of the MFCs. Calibration and characterization technologies for the development and implementation of mass flow devices are described. A test facility is available to industry and universities to test and develop gas floe sensors and controllers and evaluate their performance related to environmental effects, reliability, reproducibility, and accuracy. Additional work has been conducted in the area of accuracy. A gravimetric calibrator was invented that allows flow sensors to be calibrated in corrosive, reactive gases to an accuracy of 0.3% of reading, at least an order of magnitude better than previously possible. Although MFCs are typically specified with accuracies of 1% of full scale, MFCs may often be implemented with unwarranted confidence due to the conventional use of surrogate gas factors. Surrogate gas factors are corrections applied to process flow indications when an MFC has been calibrated on a laboratory-safe surrogate gas, but is actually used on a toxic, or corrosive process gas. Previous studies have indicated that the use of these factors may cause process flow errors of typically 10%, but possibly as great as 40% of full scale. This paper will present possible sources of error in MFC process gas flow monitoring and control, and will present an overview of corrective measures which may be implemented with MFC use to significantly reduce these sources of error.

  1. Accurate Mass Determination of the Ancient White Dwarf ER 8 Through Astrometric Microlensing

    NASA Astrophysics Data System (ADS)

    Sahu, Kailash

    2005-07-01

    We propose to determine the mass of the very cool white dwarf ER 8 through astrometric microlensing. We have predicted that ER 8 will pass very close to a 15th-mag background star in January 2006, with an impact parameter of less than 0.05 arcsec. As it passes in front, it will cause a deflection of the background star's image by >8 milliarcsec, an amount easily detectable with HST/FGS. The gravitational deflection angle depends only on the distances and relative positions of the stars, and on the mass of the white dwarf. Since the distances and positions can be determined precisely before the event, the astrometric measurement offers a unique and direct method to measure the mass of the white dwarf to high accuracy {<5%}. Unlike all other stellar mass determinations, this technique works for single stars {but only if they are nearby and of sufficient mass}. The mass of ER 8 is of special interest because it is a member of the Galactic halo, and appears to be the oldest known field white dwarf. This object can thus set a lower limit on the age of the Galactic halo, but since white-dwarf cooling rates depend on their masses, the mass is a necessary ingredient in the age determination. As a byproduct, we will obtain an accurate parallax for ER 8, and thus its luminosity and {from its effective temperature} its radius. Such quantities are at present rather poorly known for the coolest white dwarfs, and will provide strong constraints on white-dwarf physics.

  2. Accurate Mass Determination of the Ancient White Dwarf ER 8 Through Astrometric Microlensing

    NASA Astrophysics Data System (ADS)

    Sahu, Kailash

    2004-07-01

    We propose to determine the mass of the very cool white dwarf ER 8 through astrometric microlensing. We have predicted that ER 8 will pass very close to a 15th-mag background star in January 2006, with an impact parameter of less than 0.05 arcsec. As it passes in front, it will cause a deflection of the background star's image by >8 milliarcsec, an amount easily detectable with HST/FGS. The gravitational deflection angle depends only on the distances and relative positions of the stars, and on the mass of the white dwarf. Since the distances and positions can be determined precisely before the event, the astrometric measurement offers a unique and direct method to measure the mass of the white dwarf to high accuracy {<5%}. Unlike all other stellar mass determinations, this technique works for single stars {but only if they are nearby and of sufficient mass}. The mass of ER 8 is of special interest because it is a member of the Galactic halo, and appears to be the oldest known field white dwarf. This object can thus set a lower limit on the age of the Galactic halo, but since white-dwarf cooling rates depend on their masses, the mass is a necessary ingredient in the age determination. As a byproduct, we will obtain an accurate parallax for ER 8, and thus its luminosity and {from its effective temperature} its radius. Such quantities are at present rather poorly known for the coolest white dwarfs, and will provide strong constraints on white-dwarf physics.

  3. Device for accurately measuring mass flow of gases

    DOEpatents

    Hylton, J.O.; Remenyik, C.J.

    1994-08-09

    A device for measuring mass flow of gases which utilizes a substantially buoyant pressure vessel suspended within a fluid/liquid in an enclosure is disclosed. The pressure vessel is connected to a weighing device for continuously determining weight change of the vessel as a function of the amount of gas within the pressure vessel. In the preferred embodiment, this pressure vessel is formed from inner and outer right circular cylindrical hulls, with a volume between the hulls being vented to the atmosphere external the enclosure. The fluid/liquid, normally in the form of water typically with an added detergent, is contained within an enclosure with the fluid/liquid being at a level such that the pressure vessel is suspended beneath this level but above a bottom of the enclosure. The buoyant pressure vessel can be interconnected with selected valves to an auxiliary pressure vessel so that initial flow can be established to or from the auxiliary pressure vessel prior to flow to or from the buoyant pressure vessel. 5 figs.

  4. Device for accurately measuring mass flow of gases

    DOEpatents

    Hylton, James O.; Remenyik, Carl J.

    1994-01-01

    A device for measuring mass flow of gases which utilizes a substantially buoyant pressure vessel suspended within a fluid/liquid in an enclosure. The pressure vessel is connected to a weighing device for continuously determining weight change of the vessel as a function of the amount of gas within the pressure vessel. In the preferred embodiment, this pressure vessel is formed from inner and outer right circular cylindrical hulls, with a volume between the hulls being vented to the atmosphere external the enclosure. The fluid/liquid, normally in the form of water typically with an added detergent, is contained within an enclosure with the fluid/liquid being at a level such that the pressure vessel is suspended beneath this level but above a bottom of the enclosure. The buoyant pressure vessel can be interconnected with selected valves to an auxiliary pressure vessel so that initial flow can be established to or from the auxiliary pressure vessel prior to flow to or from the buoyant pressure vessel.

  5. Assessing temporal flux of plant hormones in stored processing potatoes using high definition accurate mass spectrometry

    PubMed Central

    Ordaz-Ortiz, José Juan; Foukaraki, Sofia; Terry, Leon Alexander

    2015-01-01

    Plant hormones are important molecules which at low concentration can regulate various physiological processes. Mass spectrometry has become a powerful technique for the quantification of multiple classes of plant hormones because of its high sensitivity and selectivity. We developed a new ultrahigh pressure liquid chromatography–full-scan high-definition accurate mass spectrometry method, for simultaneous determination of abscisic acid and four metabolites phaseic acid, dihydrophaseic acid, 7′-hydroxy-abscisic acid and abscisic acid glucose ester, cytokinins zeatin, zeatin riboside, gibberellins (GA1, GA3, GA4 and GA7) and indole-3-acetyl-L-aspartic acid. We measured the amount of plant hormones in the flesh and skin of two processing potato cvs. Sylvana and Russet Burbank stored for up to 30 weeks at 6 °C under ambient air conditions. Herein, we report for the first time that abscisic acid glucose ester seems to accumulate in the skin of potato tubers throughout storage time. The method achieved a lowest limit of detection of 0.22 ng g−1 of dry weight and a limit of quantification of 0.74 ng g−1 dry weight (zeatin riboside), and was able to recover, detect and quantify a total of 12 plant hormones spiked on flesh and skin of potato tubers. In addition, the mass accuracy for all compounds (<5 ppm) was evaluated. PMID:26504563

  6. Assessing temporal flux of plant hormones in stored processing potatoes using high definition accurate mass spectrometry.

    PubMed

    Ordaz-Ortiz, José Juan; Foukaraki, Sofia; Terry, Leon Alexander

    2015-01-01

    Plant hormones are important molecules which at low concentration can regulate various physiological processes. Mass spectrometry has become a powerful technique for the quantification of multiple classes of plant hormones because of its high sensitivity and selectivity. We developed a new ultrahigh pressure liquid chromatography-full-scan high-definition accurate mass spectrometry method, for simultaneous determination of abscisic acid and four metabolites phaseic acid, dihydrophaseic acid, 7'-hydroxy-abscisic acid and abscisic acid glucose ester, cytokinins zeatin, zeatin riboside, gibberellins (GA1, GA3, GA4 and GA7) and indole-3-acetyl-L-aspartic acid. We measured the amount of plant hormones in the flesh and skin of two processing potato cvs. Sylvana and Russet Burbank stored for up to 30 weeks at 6 °C under ambient air conditions. Herein, we report for the first time that abscisic acid glucose ester seems to accumulate in the skin of potato tubers throughout storage time. The method achieved a lowest limit of detection of 0.22 ng g(-1) of dry weight and a limit of quantification of 0.74 ng g(-1) dry weight (zeatin riboside), and was able to recover, detect and quantify a total of 12 plant hormones spiked on flesh and skin of potato tubers. In addition, the mass accuracy for all compounds (<5 ppm) was evaluated.

  7. MASS MEASUREMENTS BY AN ACCURATE AND SENSITIVE SELECTED ION RECORDING TECHNIQUE

    EPA Science Inventory

    Trace-level components of mixtures were successfully identified or confirmed by mass spectrometric accurate mass measurements, made at high resolution with selected ion recording, using GC and LC sample introduction. Measurements were made at 20 000 or 10 000 resolution, respecti...

  8. Fatty acids composition of Caenorhabditis elegans using accurate mass GCMS-QTOF.

    PubMed

    Henry, Parise; Owopetu, Olufunmilayo; Adisa, Demilade; Nguyen, Thao; Anthony, Kevin; Ijoni-Animadu, David; Jamadar, Sakha; Abdel-Rahman, Fawzia; Saleh, Mahmoud A

    2016-08-02

    The free living nematode Caenorhabditis elegans is a proven model organism for lipid metabolism research. Total lipids of C. elegans were extracted using chloroform and methanol in 2:1 ratio (v/v). Fatty acids composition of the extracted total lipids was converted to their corresponding fatty acids methyl esters (FAMEs) and analyzed by gas chromatography/accurate mass quadrupole time of flight mass spectrometry using both electron ionization and chemical ionization techniques. Twenty-eight fatty acids consisting of 12 to 22 carbon atoms were identified, 65% of them were unsaturated. Fatty acids containing 12 to17 carbons were mostly saturated with stearic acid (18:0) as the major constituent. Several branched-chain fatty acids were identified. Methyl-14-methylhexadecanoate (iso- 17:0) was the major identified branched fatty acid. This is the first report to detect the intact molecular parent ions of the identified fatty acids in C. elegans using chemical ionization compared to electron ionization which produced fragmentations of the FAMEs.

  9. In vivo investigation of homocysteine metabolism to polyamines by high-resolution accurate mass spectrometry and stable isotope labeling.

    PubMed

    Ruseva, Silviya; Lozanov, Valentin; Markova, Petia; Girchev, Radoslav; Mitev, Vanio

    2014-07-15

    Polyamines are essential polycations, playing important roles in mammalian physiology. Theoretically, the involvement of homocysteine in polyamine synthesis via S-adenosylmethionine is possible; however, to our knowledge, it has not been established experimentally. Here, we propose an original approach for investigation of homocysteine metabolites in an animal model. The method is based on the combination of isotope-labeled homocysteine supplementation and high-resolution accurate mass spectrometry analysis. Structural identity of the isotope-labeled metabolites was confirmed by accurate mass measurements of molecular and fragment ions and comparison of the retention times and tandem mass spectrometry fragmentation patterns. Isotope-labeled methionine, spermidine, and spermine were detected in all investigated plasma and tissue samples. The induction of moderate hyperhomocysteinemia leads to an alteration in polyamine levels in a different manner. The involvement of homocysteine in polyamine synthesis and modulation of polyamine levels could contribute to a better understanding of the mechanisms connected with homocysteine toxicity.

  10. USING AN ACCURATE MASS, TRIPLE QUADRUPOLE MASS SPECTROMETER AND AN ION CORRELATION PROGRAM TO IDENTIFY COMPOUNDS

    EPA Science Inventory

    Most compounds are not found in mass spectral libraries and must be identified by other means. Often, compound identities can be deduced from the compositions of the ions in their mass spectra and review of the chemical literature. Confirmation is provided by mass spectra and r...

  11. Accurate feature detection and estimation using nonlinear and multiresolution analysis

    NASA Astrophysics Data System (ADS)

    Rudin, Leonid; Osher, Stanley

    1994-11-01

    A program for feature detection and estimation using nonlinear and multiscale analysis was completed. The state-of-the-art edge detection was combined with multiscale restoration (as suggested by the first author) and robust results in the presence of noise were obtained. Successful applications to numerous images of interest to DOD were made. Also, a new market in the criminal justice field was developed, based in part, on this work.

  12. An accurate fuzzy edge detection method using wavelet details subimages

    NASA Astrophysics Data System (ADS)

    Sedaghat, Nafiseh; Pourreza, Hamidreza

    2010-02-01

    Edge detection is a basic and important subject in computer vision and image processing. An edge detector is defined as a mathematical operator of small spatial extent that responds in some way to these discontinuities, usually classifying every image pixel as either belonging to an edge or not. Many researchers have been spent attempting to develop effective edge detection algorithms. Despite this extensive research, the task of finding the edges that correspond to true physical boundaries remains a difficult problem.Edge detection algorithms based on the application of human knowledge show their flexibility and suggest that the use of human knowledge is a reasonable alternative. In this paper we propose a fuzzy inference system with two inputs: gradient and wavelet details. First input is calculated by Sobel operator and the second is calculated by wavelet transform of input image and then reconstruction of image only with details subimages by inverse wavelet transform. There are many fuzzy edge detection methods, but none of them utilize wavelet transform as it is used in this paper. For evaluating our method, we detect edges of images with different brightness characteristics and compare results with canny edge detector. The results show the high performance of our method in finding true edges.

  13. Identification of metallothionein subisoforms in HPLC using accurate mass and online sequencing by electrospray hybrid linear ion trap-orbital ion trap mass spectrometry.

    PubMed

    Mounicou, Sandra; Ouerdane, Laurent; L'Azou, Béatrice; Passagne, Isabelle; Ohayon-Courtès, Céline; Szpunar, Joanna; Lobinski, Ryszard

    2010-08-15

    A comprehensive approach to the characterization of metallothionein (MT) isoforms based on microbore HPLC with multimodal detection was developed. MTs were separated as Cd(7) complexes, detected by ICP MS and tentatively identified by molecular mass measured with 1-2 ppm accuracy using Orbital ion trap mass spectrometry. The identification was validated by accurate mass of the corresponding apo-MTs after postcolumn acidification and by their sequences acquired online by higher-energy collision dissociation MS/MS. The detection limits down to 10 fmol and 45 fmol could be obtained by ESI MS for apo- and Cd(7)-isoforms, respectively, and were lower than those obtained by ICP MS (100 fmol). The individual MT isoforms could be sequenced at levels as low as 200 fmol with the sequence coverage exceeding 90%. The approach was successfully applied to the identification of MT isoforms induced in a pig kidney cell line (LLC-PK(1)) exposed to CdS nanoparticles.

  14. The utility of accurate mass and LC elution time information in the analysis of complex proteomes

    SciTech Connect

    Norbeck, Angela D.; Monroe, Matthew E.; Adkins, Joshua N.; Anderson, Kevin K.; Daly, Don S.; Smith, Richard D.

    2005-08-01

    Theoretical tryptic digests of all predicted proteins from the genomes of three organisms of varying complexity were evaluated for specificity and possible utility of combined peptide accurate mass and predicted LC normalized elution time (NET) information. The uniqueness of each peptide was evaluated using its combined mass (+/- 5 ppm and 1 ppm) and NET value (no constraint, +/- 0.05 and 0.01 on a 0-1 NET scale). The set of peptides both underestimates actual biological complexity due to the lack of specific modifications, and overestimates the expected complexity since many proteins will not be present in the sample or observable on the mass spectrometer because of dynamic range limitations. Once a peptide is identified from an LCMS/MS experiment, its mass and elution time is representative of a unique fingerprint for that peptide. The uniqueness of that fingerprint in comparison to that for the other peptides present is indicative of the ability to confidently identify that peptide based on accurate mass and NET measurements. These measurements can be made using HPLC coupled with high resolution MS in a high-throughput manner. Results show that for organisms with comparatively small proteomes, such as Deinococcus radiodurans, modest mass and elution time accuracies are generally adequate for peptide identifications. For more complex proteomes, increasingly accurate easurements are required. However, the majority of proteins should be uniquely identifiable by using LC-MS with mass accuracies within +/- 1 ppm and elution time easurements within +/- 0.01 NET.

  15. Accurate detection of blood vessels improves the detection of exudates in color fundus images.

    PubMed

    Youssef, Doaa; Solouma, Nahed H

    2012-12-01

    Exudates are one of the earliest and most prevalent symptoms of diseases leading to blindness such as diabetic retinopathy and macular degeneration. Certain areas of the retina with such conditions are to be photocoagulated by laser to stop the disease progress and prevent blindness. Outlining these areas is dependent on outlining the lesions and the anatomic structures of the retina. In this paper, we provide a new method for the detection of blood vessels that improves the detection of exudates in fundus photographs. The method starts with an edge detection algorithm which results in a over segmented image. Then the new feature-based algorithm can be used to accurately detect the blood vessels. This algorithm considers the characteristics of a retinal blood vessel such as its width range, intensities and orientations for the purpose of selective segmentation. Because of its bulb shape and its color similarity with exudates, the optic disc can be detected using the common Hough transform technique. The extracted blood vessel tree and optic disc could be subtracted from the over segmented image to get an initial estimate of exudates. The final estimation of exudates can then be obtained by morphological reconstruction based on the appearance of exudates. This method is shown to be promising since it increases the sensitivity and specificity of exudates detection to 80% and 100% respectively.

  16. PATHOME: an algorithm for accurately detecting differentially expressed subpathways

    PubMed Central

    Nam, S; Chang, H R; Kim, K-T; Kook, M-C; Hong, D; Kwon, C H; Jung, H R; Park, H S; Powis, G; Liang, H; Park, T; Kim, Y H

    2014-01-01

    The translation of high-throughput gene expression data into biologically meaningful information remains a bottleneck. We developed a novel computational algorithm, PATHOME, for detecting differentially expressed biological pathways. This algorithm employs straightforward statistical tests to evaluate the significance of differential expression patterns along subpathways. Applying it to gene expression data sets of gastric cancer (GC), we compared its performance with those of other leading programs. Based on a literature-driven reference set, PATHOME showed greater consistency in identifying known cancer-related pathways. For the WNT pathway uniquely identified by PATHOME, we validated its involvement in gastric carcinogenesis through experimental perturbation of both cell lines and animal models. We identified HNF4α-WNT5A regulation in the cross-talk between the AMPK metabolic pathway and the WNT signaling pathway, and further identified WNT5A as a potential therapeutic target for GC. We have demonstrated PATHOME to be a powerful tool, with improved sensitivity for identifying disease-related dysregulated pathways. PMID:24681952

  17. The utility of accurate mass and LC elution time information in the analysis of complex proteomes

    PubMed Central

    Norbeck, Angela D.; Monroe, Matthew E.; Adkins, Joshua N.; Smith, Richard D.

    2007-01-01

    Theoretical tryptic digests of all predicted proteins from the genomes of three organisms of varying complexity were evaluated for specificity and possible utility of combined peptide accurate mass and predicted LC normalized elution time (NET) information. The uniqueness of each peptide was evaluated using its combined mass (+/− 5 ppm and 1 ppm) and NET value (no constraint, +/− 0.05 and 0.01 on a 0–1 NET scale). The set of peptides both underestimates actual biological complexity due to the lack of specific modifications, and overestimates the expected complexity since many proteins will not be present in the sample or observable on the mass spectrometer because of dynamic range limitations. Once a peptide is identified from an LC-MS/MS experiment, its mass and elution time is representative of a unique fingerprint for that peptide. The uniqueness of that fingerprint in comparison to that for the other peptides present is indicative of the ability to confidently identify that peptide based on accurate mass and NET measurements. These measurements can be made using HPLC coupled with high resolution MS in a high-throughput manner. Results show that for organisms with comparatively small proteomes, such as Deinococcus radiodurans, modest mass and elution time accuracies are generally adequate for peptide identifications. For more complex proteomes, increasingly accurate measurements are required. However, the majority of proteins should be uniquely identifiable by using LC-MS with mass accuracies within +/− 1 ppm and elution time measurements within +/− 0.01 NET. PMID:15979333

  18. Analysis of hydraulic fracturing flowback and produced waters using accurate mass: identification of ethoxylated surfactants.

    PubMed

    Thurman, E Michael; Ferrer, Imma; Blotevogel, Jens; Borch, Thomas

    2014-10-07

    Two series of ethylene oxide (EO) surfactants, polyethylene glycols (PEGs from EO3 to EO33) and linear alkyl ethoxylates (LAEs C-9 to C-15 with EO3-EO28), were identified in hydraulic fracturing flowback and produced water using a new application of the Kendrick mass defect and liquid chromatography/quadrupole-time-of-flight mass spectrometry. The Kendrick mass defect differentiates the proton, ammonium, and sodium adducts in both singly and doubly charged forms. A structural model of adduct formation is presented, and binding constants are calculated, which is based on a spherical cagelike conformation, where the central cation (NH4(+) or Na(+)) is coordinated with ether oxygens. A major purpose of the study was the identification of the ethylene oxide (EO) surfactants and the construction of a database with accurate masses and retention times in order to unravel the mass spectral complexity of surfactant mixtures used in hydraulic fracturing fluids. For example, over 500 accurate mass assignments are made in a few seconds of computer time, which then is used as a fingerprint chromatogram of the water samples. This technique is applied to a series of flowback and produced water samples to illustrate the usefulness of ethoxylate "fingerprinting", in a first application to monitor water quality that results from fluids used in hydraulic fracturing.

  19. Rapid and accurate bacterial identification in probiotics and yoghurts by MALDI-TOF mass spectrometry.

    PubMed

    Angelakis, Emmanouil; Million, Matthieu; Henry, Mireille; Raoult, Didier

    2011-10-01

    Probiotic food is manufactured by adding probiotic strains simultaneously with starter cultures in fermentation tanks. Here, we investigate the accuracy and feasibility of matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI-TOF MS) for bacterial identification at the species level in probiotic food and yoghurts. Probiotic food and yoghurts were cultured in Columbia and Lactobacillus specific agar and tested by quantitative real-time PCR (qPCR) for the detection and quantification of Lactobacillus sp. Bacterial identification was performed by MALDI-TOF analysis and by amplification and sequencing of tuf and 16S rDNA genes. We tested 13 probiotic food and yoghurts and we identified by qPCR that they presented 10(6) to 10(7) copies of Lactobacillus spp. DNA/g. All products contained very large numbers of living bacteria varying from 10(6) to 10(9) colony forming units/g. These bacteria were identified as Lactobacillus casei, Lactococcus lactis, Bifidobacterium animalis, Lactobacillus delbrueckii, and Streptococcus thermophilus. MALDI-TOF MS presented 92% specificity compared to the molecular assays. In one product we found L. lactis, instead of Bifidus spp. which was mentioned on the label and for another L. delbrueckii and S. thermophilus instead of Bifidus spp. MALDI-TOF MS allows a rapid and accurate bacterial identification at the species level in probiotic food and yoghurts. Although the safety and functionality of probiotics are species and strain dependent, we found a discrepancy between the bacterial strain announced on the label and the strain identified. Practical Application:  MALDI-TOF MS is rapid and specific for the identification of bacteria in probiotic food and yoghurts. Although the safety and functionality of probiotics are species and strain dependent, we found a discrepancy between the bacterial strain announced on the label and the strain identified.

  20. Fast and accurate mock catalogue generation for low-mass galaxies

    NASA Astrophysics Data System (ADS)

    Koda, Jun; Blake, Chris; Beutler, Florian; Kazin, Eyal; Marin, Felipe

    2016-06-01

    We present an accurate and fast framework for generating mock catalogues including low-mass haloes, based on an implementation of the COmoving Lagrangian Acceleration (COLA) technique. Multiple realisations of mock catalogues are crucial for analyses of large-scale structure, but conventional N-body simulations are too computationally expensive for the production of thousands of realizations. We show that COLA simulations can produce accurate mock catalogues with a moderate computation resource for low- to intermediate-mass galaxies in 1012 M⊙ haloes, both in real and redshift space. COLA simulations have accurate peculiar velocities, without systematic errors in the velocity power spectra for k ≤ 0.15 h Mpc-1, and with only 3-per cent error for k ≤ 0.2 h Mpc-1. We use COLA with 10 time steps and a Halo Occupation Distribution to produce 600 mock galaxy catalogues of the WiggleZ Dark Energy Survey. Our parallelized code for efficient generation of accurate halo catalogues is publicly available at github.com/junkoda/cola_halo.

  1. iPE-MMR: An integrated approach to accurately assign monoisotopic precursor masses to tandem mass spectrometric data

    PubMed Central

    Jung, Hee-Jung; Purvine, Samuel O.; Kim, Hokeun; Petyuk, Vladislav A.; Hyung, Seok-Won; Monroe, Matthew E.; Mun, Dong-Gi; Kim, Kyong-Chul; Park, Jong-Moon; Kim, Su-Jin; Tolic, Nikola; Slysz, Gordon W.; Moore, Ronald J.; Zhao, Rui; Adkins, Joshua N.; Anderson, Gordon A.; Lee, Hookeun; Camp, David G.; Yu, Myeong-Hee; Smith, Richard D.; Lee, Sang-Won

    2010-01-01

    Accurate assignment of monoisotopic precursor masses to tandem mass spectrometric (MS/MS) data is a fundamental and critically important step for successful peptide identifications in mass spectrometry based proteomics. Here we describe an integrated approach that combines three previously reported methods of treating MS/MS data for precursor mass refinement. This combined method, “integrated Post-Experiment Monoisotopic Mass Refinement” (iPE-MMR), integrates steps: 1) generation of refined MS/MS data by DeconMSn; 2) additional refinement of the resultant MS/MS data by a modified version of PE-MMR; 3) elimination of systematic errors of precursor masses using DtaRefinery. iPE-MMR is the first method that utilizes all MS information from multiple MS scans of a precursor ion including multiple charge states, in an MS scan, to determine precursor mass. By combining these methods, iPE-MMR increases sensitivity in peptide identification and provides increased accuracy when applied to complex high-throughput proteomics data. PMID:20863060

  2. Accurate mass replacement method for the sediment concentration measurement with a constant volume container

    NASA Astrophysics Data System (ADS)

    Ban, Yunyun; Chen, Tianqin; Yan, Jun; Lei, Tingwu

    2017-04-01

    The measurement of sediment concentration in water is of great importance in soil erosion research and soil and water loss monitoring systems. The traditional weighing method has long been the foundation of all the other measuring methods and instrument calibration. The development of a new method to replace the traditional oven-drying method is of interest in research and practice for the quick and efficient measurement of sediment concentration, especially field measurements. A new method is advanced in this study for accurately measuring the sediment concentration based on the accurate measurement of the mass of the sediment-water mixture in the confined constant volume container (CVC). A sediment-laden water sample is put into the CVC to determine its mass before the CVC is filled with water and weighed again for the total mass of the water and sediments in the container. The known volume of the CVC, the mass of sediment-laden water, and sediment particle density are used to calculate the mass of water, which is replaced by sediments, therefore sediment concentration of the sample is calculated. The influence of water temperature was corrected by measuring water density to determine the temperature of water before measurements were conducted. The CVC was used to eliminate the surface tension effect so as to obtain the accurate volume of water and sediment mixture. Experimental results showed that the method was capable of measuring the sediment concentration from 0.5 up to 1200 kg m‑3. A good liner relationship existed between the designed and measured sediment concentrations with all the coefficients of determination greater than 0.999 and the averaged relative error less than 0.2%. All of these seem to indicate that the new method is capable of measuring a full range of sediment concentration above 0.5 kg m‑3 to replace the traditional oven-drying method as a standard method for evaluating and calibrating other methods.

  3. Determination of accurate protein monoisotopic mass with the most abundant mass measurable using high-resolution mass spectrometry.

    PubMed

    Chen, Ya-Fen; Chang, C Allen; Lin, Yu-Hsuan; Tsay, Yeou-Guang

    2013-09-01

    While recent developments in mass spectrometry enable direct evaluation of monoisotopic masses (M(mi)) of smaller compounds, protein M(mi) is mostly determined based on its relationship to average mass (Mav). Here, we propose an alternative approach to determining protein M(mi) based on its correlation with the most abundant mass (M(ma)) measurable using high-resolution mass spectrometry. To test this supposition, we first empirically calculated M(mi) and M(ma) of 6158 Escherichia coli proteins, which helped serendipitously uncover a linear correlation between these two protein masses. With the relationship characterized, liquid chromatography-mass spectrometry was employed to measure M(ma) of protein samples in its ion cluster with the highest signal in the mass spectrum. Generally, our method produces a short series of likely M(mi) in 1-Da steps, and the probability of each likely M(mi) is assigned statistically. It is remarkable that the mass error of this M(mi) is as miniscule as a few parts per million, indicating that our method is capable of determining protein M(mi) with high accuracy. Benefitting from the outstanding performance of modern mass spectrometry, our approach is a significant improvement over others and should be of great utility in the rapid assessment of protein primary structures.

  4. Ultrahigh mass resolution and accurate mass measurements as a tool to characterize oligomers in secondary organic aerosols.

    PubMed

    Reinhardt, Alain; Emmenegger, Christian; Gerrits, Bertran; Panse, Christian; Dommen, Josef; Baltensperger, Urs; Zenobi, Renato; Kalberer, Markus

    2007-06-01

    Organic aerosols are a major fraction, often more than 50%, of the total atmospheric aerosol mass. The chemical composition of the total organic aerosol mass is poorly understood, although hundreds of compounds have been identified in the literature. High molecular weight compounds have recently gained much attention because this class of compounds potentially represents a major fraction of the unexplained organic aerosol mass. Here we analyze secondary organic aerosols, generated in a smog chamber from alpha-pinene ozonolysis with ultra-high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). About 450 compounds are detected in the mass range of m/z 200-700. The mass spectrum is clearly divided into a low molecular weight range (monomer) and a high molecular weight range, where dimers and trimers are distinguishable. Using the Kendrick mass analysis, the elemental composition of about 60% of all peaks could be determined throughout the whole mass range. Most compounds have high O:C ratios between 0.4 and 0.6. Small compounds (i.e., monomers) have a higher maximum O:C ratio than dimers and trimers, suggesting that condensation reactions with, for example, the loss of water are important in the oligomer formation process. A program developed in-house was used to determine exact mass differences between peaks in the monomer, dimer, and trimer mass range to identify potential monomer building blocks, which form the co-oligomers observed in the mass spectrum. A majority of the peaks measured in the low mass region of the spectrum (m/z < 300) is also found in the calculated results. For the first time the elemental composition of the majority of peaks over a wide mass range was determined using advanced data analysis methods for the analysis of ultra-high-resolution MS data. Possible oligomer formation mechanisms in secondary organic aerosols were investigated.

  5. Directed Sample Interrogation Utilizing an Accurate Mass Exclusion-Based Data-Dependent Acquisition Strategy (AMEx)

    PubMed Central

    Rudomin, Emily L.; Carr, Steven A.; Jaffe, Jacob D.

    2009-01-01

    The ability to perform thorough sampling is of critical importance when using mass spectrometry to characterize complex proteomic mixtures. A common approach is to re-interrogate a sample multiple times by LC-MS/MS. However, the conventional data-dependent acquisition methods that are typically used in proteomics studies will often redundantly sample high-intensity precursor ions while failing to sample low-intensity precursors entirely. We describe a method wherein the masses of successfully identified peptides are used to generate an accurate mass exclusion list such that those precursors are not selected for sequencing during subsequent analyses. We performed multiple concatenated analytical runs to sample a complex cell lysate, using either accurate mass exclusion-based data-dependent acquisition (AMEx) or standard data-dependent acquisition, and found that utilization of AMEx on an ESI-Orbitrap instrument significantly increases the total number of validated peptide identifications relative to a standard DDA approach. The additional identified peptides represent precursor ions that exhibit low signal intensity in the sample. Increasing the total number of peptide identifications augmented the number of proteins identified, as well as improved the sequence coverage of those proteins. Together, these data indicate that using AMEx is an effective strategy to improve the characterization of complex proteomic mixtures. PMID:19344186

  6. Directed sample interrogation utilizing an accurate mass exclusion-based data-dependent acquisition strategy (AMEx).

    PubMed

    Rudomin, Emily L; Carr, Steven A; Jaffe, Jacob D

    2009-06-01

    The ability to perform thorough sampling is of critical importance when using mass spectrometry to characterize complex proteomic mixtures. A common approach is to reinterrogate a sample multiple times by LC-MS/MS. However, the conventional data-dependent acquisition methods that are typically used in proteomics studies will often redundantly sample high-intensity precursor ions while failing to sample low-intensity precursors entirely. We describe a method wherein the masses of successfully identified peptides are used to generate an accurate mass exclusion list such that those precursors are not selected for sequencing during subsequent analyses. We performed multiple concatenated analytical runs to sample a complex cell lysate, using either accurate mass exclusion-based data-dependent acquisition (AMEx) or standard data-dependent acquisition, and found that utilization of AMEx on an ESI-Orbitrap instrument significantly increases the total number of validated peptide identifications relative to a standard DDA approach. The additional identified peptides represent precursor ions that exhibit low signal intensity in the sample. Increasing the total number of peptide identifications augmented the number of proteins identified, as well as improved the sequence coverage of those proteins. Together, these data indicate that using AMEx is an effective strategy to improve the characterization of complex proteomic mixtures.

  7. Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-orbitrap mass spectrometer for further metabolomics database building.

    PubMed

    Xu, Ying; Heilier, Jean-François; Madalinski, Geoffrey; Genin, Eric; Ezan, Eric; Tabet, Jean-Claude; Junot, Christophe

    2010-07-01

    Recently, high-resolution mass spectrometry has been largely employed for compound identification, thanks to accurate mass measurements. As additional information, relative isotope abundance (RIA) is often needed to reduce the number of candidates prior to tandem MS(n). Here, we report on the evaluation of the LTQ-Orbitrap, in terms of accurate mass and RIA measurements for building further metabolomics spectral databases. Accurate mass measurements were achieved in the ppm range, using external calibration within 24 h, and remained at <5 ppm over a one-week period. The experimental relative abundances of (M+1) isotopic ions were evaluated in different data sets. First of all, 137 solutions of commercial compounds were analyzed by flow injection analysis in both the positive and negative ion modes. It was found that the ion abundance was the main factor impacting the accuracy of RIA measurements. It was possible to define some intensity thresholds above which errors were systematically <20% of their theoretical values. The same type of results were obtained with analyses from two biological media. Otherwise, no significant effect of ion transmission between the LTQ ion trap and the Orbitrap analyzer on RIA measurement errors was found, whereas the reliability of RIA measurements was dramatically improved by reducing the mass detection window. It was also observed that the signal integration method had a significant impact on RIA measurement errors, with the most-reliable results being obtained with peak height integrations. Finally, automatic integrations using the data preprocessing software XCMS and MZmine gave results similar to those obtained by manual integration, suggesting that it is relevant to use the RIA information in automatic elemental composition determination software from metabolomic peak tables.

  8. Accurate mass fragment library for rapid analysis of pesticides on produce using ambient pressure desorption ionization with high-resolution mass spectrometry.

    PubMed

    Kern, Sara E; Lin, Lora A; Fricke, Frederick L

    2014-08-01

    U.S. food imports have been increasing steadily for decades, intensifying the need for a rapid and sensitive screening technique. A method has been developed that uses foam disks to sample the surface of incoming produce. This work provides complimentary information to the extensive amount of published pesticide fragmentation data collected using LCMS systems (Sack et al. Journal of Agricultural and Food Chemistry, 59, 6383-6411, 2011; Mol et al. Analytical and Bioanalytical Chemistry, 403, 2891-2908, 2012). The disks are directly analyzed using transmission-mode direct analysis in real time (DART) ambient pressure desorption ionization coupled to a high resolution accurate mass-mass spectrometer (HRAM-MS). In order to provide more certainty in the identification of the pesticides detected, a library of accurate mass fragments and isotopes of the protonated parent molecular ion (the [M+H]⁺) has been developed. The HRAM-MS is equipped with a quadrupole mass filter, providing the capability of "data-dependent" fragmentation, as opposed to "all -ion" fragmentation (where all of the ions enter a collision chamber and are fragmented at once). A temperature gradient for the DART helium stream and multiple collision energies were employed to detect and fragment 164 pesticides of varying chemical classes, sizes, and polarities. The accurate mass information of precursor ([M+H]⁺ ion) and fragment ions is essential in correctly identifying chemical contaminants on the surface of imported produce. Additionally, the inclusion of isotopes of the [M+H]⁺ in the database adds another metric to the confirmation process. The fragmentation data were collected using a Q-Exactive mass spectrometer and were added to a database used to process data collected with an Exactive mass spectrometer, an instrument that is more readily available for this screening application. The commodities investigated range from smooth-skinned produce such as apples to rougher surfaces like broccoli

  9. Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Kern, Sara E.; Lin, Lora A.; Fricke, Frederick L.

    2014-08-01

    U.S. food imports have been increasing steadily for decades, intensifying the need for a rapid and sensitive screening technique. A method has been developed that uses foam disks to sample the surface of incoming produce. This work provides complimentary information to the extensive amount of published pesticide fragmentation data collected using LCMS systems (Sack et al. Journal of Agricultural and Food Chemistry, 59, 6383-6411, 2011; Mol et al. Analytical and Bioanalytical Chemistry, 403, 2891-2908, 2012). The disks are directly analyzed using transmission-mode direct analysis in real time (DART) ambient pressure desorption ionization coupled to a high resolution accurate mass-mass spectrometer (HRAM-MS). In order to provide more certainty in the identification of the pesticides detected, a library of accurate mass fragments and isotopes of the protonated parent molecular ion (the [M+H]+) has been developed. The HRAM-MS is equipped with a quadrupole mass filter, providing the capability of "data-dependent" fragmentation, as opposed to "all -ion" fragmentation (where all of the ions enter a collision chamber and are fragmented at once). A temperature gradient for the DART helium stream and multiple collision energies were employed to detect and fragment 164 pesticides of varying chemical classes, sizes, and polarities. The accurate mass information of precursor ([M+H]+ ion) and fragment ions is essential in correctly identifying chemical contaminants on the surface of imported produce. Additionally, the inclusion of isotopes of the [M+H]+ in the database adds another metric to the confirmation process. The fragmentation data were collected using a Q-Exactive mass spectrometer and were added to a database used to process data collected with an Exactive mass spectrometer, an instrument that is more readily available for this screening application. The commodities investigated range from smooth-skinned produce such as apples to rougher surfaces like broccoli. The

  10. Global analysis of the Deinococcus radiodurans proteome by using accurate mass tags

    PubMed Central

    Lipton, Mary S.; Paša-Tolić, Ljiljana; Anderson, Gordon A.; Anderson, David J.; Auberry, Deanna L.; Battista, John R.; Daly, Michael J.; Fredrickson, Jim; Hixson, Kim K.; Kostandarithes, Heather; Masselon, Christophe; Markillie, Lye Meng; Moore, Ronald J.; Romine, Margaret F.; Shen, Yufeng; Stritmatter, Eric; Tolić, Nikola; Udseth, Harold R.; Venkateswaran, Amudhan; Wong, Kwong-Kwok; Zhao, Rui; Smith, Richard D.

    2002-01-01

    Understanding biological systems and the roles of their constituents is facilitated by the ability to make quantitative, sensitive, and comprehensive measurements of how their proteome changes, e.g., in response to environmental perturbations. To this end, we have developed a high-throughput methodology to characterize an organism's dynamic proteome based on the combination of global enzymatic digestion, high-resolution liquid chromatographic separations, and analysis by Fourier transform ion cyclotron resonance mass spectrometry. The peptides produced serve as accurate mass tags for the proteins and have been used to identify with high confidence >61% of the predicted proteome for the ionizing radiation-resistant bacterium Deinococcus radiodurans. This fraction represents the broadest proteome coverage for any organism to date and includes 715 proteins previously annotated as either hypothetical or conserved hypothetical. PMID:12177431

  11. Identification of "Known Unknowns" Utilizing Accurate Mass Data and ChemSpider

    NASA Astrophysics Data System (ADS)

    Little, James L.; Williams, Antony J.; Pshenichnov, Alexey; Tkachenko, Valery

    2012-01-01

    In many cases, an unknown to an investigator is actually known in the chemical literature, a reference database, or an internet resource. We refer to these types of compounds as "known unknowns." ChemSpider is a very valuable internet database of known compounds useful in the identification of these types of compounds in commercial, environmental, forensic, and natural product samples. The database contains over 26 million entries from hundreds of data sources and is provided as a free resource to the community. Accurate mass mass spectrometry data is used to query the database by either elemental composition or a monoisotopic mass. Searching by elemental composition is the preferred approach. However, it is often difficult to determine a unique elemental composition for compounds with molecular weights greater than 600 Da. In these cases, searching by the monoisotopic mass is advantageous. In either case, the search results are refined by sorting the number of references associated with each compound in descending order. This raises the most useful candidates to the top of the list for further evaluation. These approaches were shown to be successful in identifying "known unknowns" noted in our laboratory and for compounds of interest to others.

  12. Identification of "known unknowns" utilizing accurate mass data and ChemSpider.

    PubMed

    Little, James L; Williams, Antony J; Pshenichnov, Alexey; Tkachenko, Valery

    2012-01-01

    In many cases, an unknown to an investigator is actually known in the chemical literature, a reference database, or an internet resource. We refer to these types of compounds as "known unknowns." ChemSpider is a very valuable internet database of known compounds useful in the identification of these types of compounds in commercial, environmental, forensic, and natural product samples. The database contains over 26 million entries from hundreds of data sources and is provided as a free resource to the community. Accurate mass mass spectrometry data is used to query the database by either elemental composition or a monoisotopic mass. Searching by elemental composition is the preferred approach. However, it is often difficult to determine a unique elemental composition for compounds with molecular weights greater than 600 Da. In these cases, searching by the monoisotopic mass is advantageous. In either case, the search results are refined by sorting the number of references associated with each compound in descending order. This raises the most useful candidates to the top of the list for further evaluation. These approaches were shown to be successful in identifying "known unknowns" noted in our laboratory and for compounds of interest to others.

  13. Cluster abundance in chameleon f(R) gravity I: toward an accurate halo mass function prediction

    NASA Astrophysics Data System (ADS)

    Cataneo, Matteo; Rapetti, David; Lombriser, Lucas; Li, Baojiu

    2016-12-01

    We refine the mass and environment dependent spherical collapse model of chameleon f(R) gravity by calibrating a phenomenological correction inspired by the parameterized post-Friedmann framework against high-resolution N-body simulations. We employ our method to predict the corresponding modified halo mass function, and provide fitting formulas to calculate the enhancement of the f(R) halo abundance with respect to that of General Relativity (GR) within a precision of lesssim 5% from the results obtained in the simulations. Similar accuracy can be achieved for the full f(R) mass function on the condition that the modeling of the reference GR abundance of halos is accurate at the percent level. We use our fits to forecast constraints on the additional scalar degree of freedom of the theory, finding that upper bounds competitive with current Solar System tests are within reach of cluster number count analyses from ongoing and upcoming surveys at much larger scales. Importantly, the flexibility of our method allows also for this to be applied to other scalar-tensor theories characterized by a mass and environment dependent spherical collapse.

  14. Identification of Microorganisms by High Resolution Tandem Mass Spectrometry with Accurate Statistical Significance

    NASA Astrophysics Data System (ADS)

    Alves, Gelio; Wang, Guanghui; Ogurtsov, Aleksey Y.; Drake, Steven K.; Gucek, Marjan; Suffredini, Anthony F.; Sacks, David B.; Yu, Yi-Kuo

    2016-02-01

    Correct and rapid identification of microorganisms is the key to the success of many important applications in health and safety, including, but not limited to, infection treatment, food safety, and biodefense. With the advance of mass spectrometry (MS) technology, the speed of identification can be greatly improved. However, the increasing number of microbes sequenced is challenging correct microbial identification because of the large number of choices present. To properly disentangle candidate microbes, one needs to go beyond apparent morphology or simple `fingerprinting'; to correctly prioritize the candidate microbes, one needs to have accurate statistical significance in microbial identification. We meet these challenges by using peptidome profiles of microbes to better separate them and by designing an analysis method that yields accurate statistical significance. Here, we present an analysis pipeline that uses tandem MS (MS/MS) spectra for microbial identification or classification. We have demonstrated, using MS/MS data of 81 samples, each composed of a single known microorganism, that the proposed pipeline can correctly identify microorganisms at least at the genus and species levels. We have also shown that the proposed pipeline computes accurate statistical significances, i.e., E-values for identified peptides and unified E-values for identified microorganisms. The proposed analysis pipeline has been implemented in MiCId, a freely available software for Microorganism Classification and Identification. MiCId is available for download at http://www.ncbi.nlm.nih.gov/CBBresearch/Yu/downloads.html.

  15. SPECT-OPT multimodal imaging enables accurate evaluation of radiotracers for β-cell mass assessments

    PubMed Central

    Eter, Wael A.; Parween, Saba; Joosten, Lieke; Frielink, Cathelijne; Eriksson, Maria; Brom, Maarten; Ahlgren, Ulf; Gotthardt, Martin

    2016-01-01

    Single Photon Emission Computed Tomography (SPECT) has become a promising experimental approach to monitor changes in β-cell mass (BCM) during diabetes progression. SPECT imaging of pancreatic islets is most commonly cross-validated by stereological analysis of histological pancreatic sections after insulin staining. Typically, stereological methods do not accurately determine the total β-cell volume, which is inconvenient when correlating total pancreatic tracer uptake with BCM. Alternative methods are therefore warranted to cross-validate β-cell imaging using radiotracers. In this study, we introduce multimodal SPECT - optical projection tomography (OPT) imaging as an accurate approach to cross-validate radionuclide-based imaging of β-cells. Uptake of a promising radiotracer for β-cell imaging by SPECT, 111In-exendin-3, was measured by ex vivo-SPECT and cross evaluated by 3D quantitative OPT imaging as well as with histology within healthy and alloxan-treated Brown Norway rat pancreata. SPECT signal was in excellent linear correlation with OPT data as compared to histology. While histological determination of islet spatial distribution was challenging, SPECT and OPT revealed similar distribution patterns of 111In-exendin-3 and insulin positive β-cell volumes between different pancreatic lobes, both visually and quantitatively. We propose ex vivo SPECT-OPT multimodal imaging as a highly accurate strategy for validating the performance of β-cell radiotracers. PMID:27080529

  16. SPECT-OPT multimodal imaging enables accurate evaluation of radiotracers for β-cell mass assessments.

    PubMed

    Eter, Wael A; Parween, Saba; Joosten, Lieke; Frielink, Cathelijne; Eriksson, Maria; Brom, Maarten; Ahlgren, Ulf; Gotthardt, Martin

    2016-04-15

    Single Photon Emission Computed Tomography (SPECT) has become a promising experimental approach to monitor changes in β-cell mass (BCM) during diabetes progression. SPECT imaging of pancreatic islets is most commonly cross-validated by stereological analysis of histological pancreatic sections after insulin staining. Typically, stereological methods do not accurately determine the total β-cell volume, which is inconvenient when correlating total pancreatic tracer uptake with BCM. Alternative methods are therefore warranted to cross-validate β-cell imaging using radiotracers. In this study, we introduce multimodal SPECT - optical projection tomography (OPT) imaging as an accurate approach to cross-validate radionuclide-based imaging of β-cells. Uptake of a promising radiotracer for β-cell imaging by SPECT, (111)In-exendin-3, was measured by ex vivo-SPECT and cross evaluated by 3D quantitative OPT imaging as well as with histology within healthy and alloxan-treated Brown Norway rat pancreata. SPECT signal was in excellent linear correlation with OPT data as compared to histology. While histological determination of islet spatial distribution was challenging, SPECT and OPT revealed similar distribution patterns of (111)In-exendin-3 and insulin positive β-cell volumes between different pancreatic lobes, both visually and quantitatively. We propose ex vivo SPECT-OPT multimodal imaging as a highly accurate strategy for validating the performance of β-cell radiotracers.

  17. SPARC: Mass Models for 175 Disk Galaxies with Spitzer Photometry and Accurate Rotation Curves

    NASA Astrophysics Data System (ADS)

    Lelli, Federico; McGaugh, Stacy S.; Schombert, James M.

    2016-12-01

    We introduce SPARC (Spitzer Photometry and Accurate Rotation Curves): a sample of 175 nearby galaxies with new surface photometry at 3.6 μm and high-quality rotation curves from previous H i/Hα studies. SPARC spans a broad range of morphologies (S0 to Irr), luminosities (∼5 dex), and surface brightnesses (∼4 dex). We derive [3.6] surface photometry and study structural relations of stellar and gas disks. We find that both the stellar mass–H i mass relation and the stellar radius–H i radius relation have significant intrinsic scatter, while the H i mass–radius relation is extremely tight. We build detailed mass models and quantify the ratio of baryonic to observed velocity (V bar/V obs) for different characteristic radii and values of the stellar mass-to-light ratio (ϒ⋆) at [3.6]. Assuming ϒ⋆ ≃ 0.5 M ⊙/L ⊙ (as suggested by stellar population models), we find that (i) the gas fraction linearly correlates with total luminosity (ii) the transition from star-dominated to gas-dominated galaxies roughly corresponds to the transition from spiral galaxies to dwarf irregulars, in line with density wave theory; and (iii) V bar/V obs varies with luminosity and surface brightness: high-mass, high-surface-brightness galaxies are nearly maximal, while low-mass, low-surface-brightness galaxies are submaximal. These basic properties are lost for low values of ϒ⋆ ≃ 0.2 M ⊙/L ⊙ as suggested by the DiskMass survey. The mean maximum-disk limit in bright galaxies is ϒ⋆ ≃ 0.7 M ⊙/L ⊙ at [3.6]. The SPARC data are publicly available and represent an ideal test bed for models of galaxy formation.

  18. Distributed Pedestrian Detection Alerts Based on Data Fusion with Accurate Localization

    PubMed Central

    García, Fernando; Jiménez, Felipe; Anaya, José Javier; Armingol, José María; Naranjo, José Eugenio; de la Escalera, Arturo

    2013-01-01

    Among Advanced Driver Assistance Systems (ADAS) pedestrian detection is a common issue due to the vulnerability of pedestrians in the event of accidents. In the present work, a novel approach for pedestrian detection based on data fusion is presented. Data fusion helps to overcome the limitations inherent to each detection system (computer vision and laser scanner) and provides accurate and trustable tracking of any pedestrian movement. The application is complemented by an efficient communication protocol, able to alert vehicles in the surroundings by a fast and reliable communication. The combination of a powerful location, based on a GPS with inertial measurement, and accurate obstacle localization based on data fusion has allowed locating the detected pedestrians with high accuracy. Tests proved the viability of the detection system and the efficiency of the communication, even at long distances. By the use of the alert communication, dangerous situations such as occlusions or misdetections can be avoided. PMID:24008284

  19. Distributed pedestrian detection alerts based on data fusion with accurate localization.

    PubMed

    García, Fernando; Jiménez, Felipe; Anaya, José Javier; Armingol, José María; Naranjo, José Eugenio; de la Escalera, Arturo

    2013-09-04

    Among Advanced Driver Assistance Systems (ADAS) pedestrian detection is a common issue due to the vulnerability of pedestrians in the event of accidents. In the present work, a novel approach for pedestrian detection based on data fusion is presented. Data fusion helps to overcome the limitations inherent to each detection system (computer vision and laser scanner) and provides accurate and trustable tracking of any pedestrian movement. The application is complemented by an efficient communication protocol, able to alert vehicles in the surroundings by a fast and reliable communication. The combination of a powerful location, based on a GPS with inertial measurement, and accurate obstacle localization based on data fusion has allowed locating the detected pedestrians with high accuracy. Tests proved the viability of the detection system and the efficiency of the communication, even at long distances. By the use of the alert communication, dangerous situations such as occlusions or misdetections can be avoided.

  20. Accurate mass measurements for peptide and protein mixtures by using matrix-assisted laser desorption/ionization Fourier transform mass spectrometry.

    PubMed

    Chan, T W D; Duan, L; Sze, T P E

    2002-10-15

    A new analytical scheme based on a combination of scanning FTMS, multiple-ion filling, and potential ramping methods has been developed for accurate molecular mass measurement of peptide and protein mixtures using broadband MALDI-FTMS. The scanning FTMS method alleviates the problems of time-of-flight effect for FTMS with an external MALDI ion source and provides a systematic means of sampling ions of different mass-to-charge ratios. The multiple-ion filling method is an effective way of trapping and retaining ions from successive ion generation/accumulation events. The potential ramping method allows the use of high trapping potentials for effective trapping of ions of high kinetic energies and the use of low trapping potentials for high-resolution detection of the trapped ions. With this analytical scheme, high-resolution broadband MALDI mass spectra covering a wide mass range of 1000-5700 Da were obtained. For peptide mixtures of mass range 1000-3500 Da, calibration errors of low part-per-millions were demonstrated using a parabolic calibration equation f2 = ML1/m2 + ML2/m + ML3, where f is the measured cyclotron frequency and ML1, ML2, and ML3 are calibration constants.

  1. Quantitation of Insulin-Like Growth Factor 1 in Serum by Liquid Chromatography High Resolution Accurate-Mass Mass Spectrometry.

    PubMed

    Ketha, Hemamalini; Singh, Ravinder J

    2016-01-01

    Insulin-like growth factor 1 (IGF-1) is a 70 amino acid peptide hormone which acts as the principal mediator of the effects of growth hormone (GH). Due to a wide variability in circulating concentration of GH, IGF-1 quantitation is the first step in the diagnosis of GH excess or deficiency. Majority (>95 %) of IGF-1 circulates as a ternary complex along with its principle binding protein insulin-like growth factor 1 binding protein 3 (IGFBP-3) and acid labile subunit. The assay design approach for IGF-1 quantitation has to include a step to dissociate IGF-1 from its ternary complex. Several commercial assays employ a buffer containing acidified ethanol to achieve this. Despite several modifications, commercially available immunoassays have been shown to have challenges with interference from IGFBP-3. Additionally, inter-method comparison between IGF-1 immunoassays has been shown to be suboptimal. Mass spectrometry has been utilized for quantitation of IGF-1. In this chapter a liquid chromatography high resolution accurate-mass mass spectrometry (LC-HRAMS) based method for IGF-1 quantitation has been described.

  2. DMS-prefiltered mass spectrometry for the detection of biomarkers

    NASA Astrophysics Data System (ADS)

    Coy, Stephen L.; Krylov, Evgeny V.; Nazarov, Erkinjon G.

    2008-04-01

    Technologies based on Differential Mobility Spectrometry (DMS) are ideally matched to rapid, sensitive, and selective detection of chemicals like biomarkers. Biomarkers linked to exposure to radiation, exposure to CWA's, exposure to toxic materials (TICs and TIMs) and to specific diseases are being examined in a number of laboratories. Screening for these types of exposure can be improved in accuracy and greatly speeded up by using DMS-MS instead of slower techniques like LC-MS and GC-MS. We have performed an extensive series of tests with nanospray-DMS-mass spectroscopy and standalone nanospray-DMS obtaining extensive information on chemistry and detectivity. DMS-MS systems implemented with low-resolution, low-cost, portable mass-spectrometry systems are very promising. Lowresolution mass spectrometry alone would be inadequate for the task, but with DMS pre-filtration to suppress interferences, can be quite effective, even for quantitative measurement. Bio-fluids and digests are well suited to ionization by electrospray and detection by mass-spectrometry, but signals from critical markers are overwhelmed by chemical noise from unrelated species, making essential quantitative analysis impossible. Sionex and collaborators have presented data using DMS to suppress chemical noise, allowing detection of cancer biomarkers in 10,000-fold excess of normal products 1,2. In addition, a linear dynamic range of approximately 2,000 has been demonstrated with accurate quantitation 3. We will review the range of possible applications and present new data on DMS-MS biomarker detection.

  3. Two dimensional echocardiographic detection of intraatrial masses.

    PubMed

    DePace, N L; Soulen, R L; Kotler, M N; Mintz, G S

    1981-11-01

    With two dimensional echocardiography, a left atrial mass was detected in 19 patients. Of these, 10 patients with rheumatic mitral stenosis had a left atrial thrombus. The distinctive two dimensional echocardiographic features of left atrial thrombus included a mass of irregular nonmobile laminated echos within an enlarged atrial cavity, usually with a broad base of attachment to the posterior left atrial wall. Seven patients had a left atrial myxoma. Usually, the myxoma appeared as a mottled ovoid, sharply demarcated mobile mass attached to the interatrial septum. One patient had a right atrial angiosarcoma that appeared as a nonmobile mass extending from the inferior vena caval-right atrial junction into the right atrial cavity. One patient had a left atrial leiomyosarcoma producing a highly mobile mass attached to the lateral wall of the left atrium. M mode echocardiography detected six of the seven myxomas, one thrombus and neither of the other tumors. Thus, two dimensional echocardiography appears to be the technique of choice in the detection, localization and differentiation of intraatrial masses.

  4. In-Depth Glycoproteomic Characterization of γ-Conglutin by High-Resolution Accurate Mass Spectrometry

    PubMed Central

    Schiarea, Silvia; Arnoldi, Lolita; Fanelli, Roberto; De Combarieu, Eric; Chiabrando, Chiara

    2013-01-01

    The molecular characterization of bioactive food components is necessary for understanding the mechanisms of their beneficial or detrimental effects on human health. This study focused on γ-conglutin, a well-known lupin seed N-glycoprotein with health-promoting properties and controversial allergenic potential. Given the importance of N-glycosylation for the functional and structural characteristics of proteins, we studied the purified protein by a mass spectrometry-based glycoproteomic approach able to identify the structure, micro-heterogeneity and attachment site of the bound N-glycan(s), and to provide extensive coverage of the protein sequence. The peptide/N-glycopeptide mixtures generated by enzymatic digestion (with or without N-deglycosylation) were analyzed by high-resolution accurate mass liquid chromatography–multi-stage mass spectrometry. The four main micro-heterogeneous variants of the single N-glycan bound to γ-conglutin were identified as Man2(Xyl) (Fuc) GlcNAc2, Man3(Xyl) (Fuc) GlcNAc2, GlcNAcMan3(Xyl) (Fuc) GlcNAc2 and GlcNAc 2Man3(Xyl) (Fuc) GlcNAc2. These carry both core β1,2-xylose and core α1-3-fucose (well known Cross-Reactive Carbohydrate Determinants), but corresponding fucose-free variants were also identified as minor components. The N-glycan was proven to reside on Asn131, one of the two potential N-glycosylation sites. The extensive coverage of the γ-conglutin amino acid sequence suggested three alternative N-termini of the small subunit, that were later confirmed by direct-infusion Orbitrap mass spectrometry analysis of the intact subunit. PMID:24069245

  5. Breaking Snake Camouflage: Humans Detect Snakes More Accurately than Other Animals under Less Discernible Visual Conditions.

    PubMed

    Kawai, Nobuyuki; He, Hongshen

    2016-01-01

    Humans and non-human primates are extremely sensitive to snakes as exemplified by their ability to detect pictures of snakes more quickly than those of other animals. These findings are consistent with the Snake Detection Theory, which hypothesizes that as predators, snakes were a major source of evolutionary selection that favored expansion of the visual system of primates for rapid snake detection. Many snakes use camouflage to conceal themselves from both prey and their own predators, making it very challenging to detect them. If snakes have acted as a selective pressure on primate visual systems, they should be more easily detected than other animals under difficult visual conditions. Here we tested whether humans discerned images of snakes more accurately than those of non-threatening animals (e.g., birds, cats, or fish) under conditions of less perceptual information by presenting a series of degraded images with the Random Image Structure Evolution technique (interpolation of random noise). We find that participants recognize mosaic images of snakes, which were regarded as functionally equivalent to camouflage, more accurately than those of other animals under dissolved conditions. The present study supports the Snake Detection Theory by showing that humans have a visual system that accurately recognizes snakes under less discernible visual conditions.

  6. Breaking Snake Camouflage: Humans Detect Snakes More Accurately than Other Animals under Less Discernible Visual Conditions

    PubMed Central

    He, Hongshen

    2016-01-01

    Humans and non-human primates are extremely sensitive to snakes as exemplified by their ability to detect pictures of snakes more quickly than those of other animals. These findings are consistent with the Snake Detection Theory, which hypothesizes that as predators, snakes were a major source of evolutionary selection that favored expansion of the visual system of primates for rapid snake detection. Many snakes use camouflage to conceal themselves from both prey and their own predators, making it very challenging to detect them. If snakes have acted as a selective pressure on primate visual systems, they should be more easily detected than other animals under difficult visual conditions. Here we tested whether humans discerned images of snakes more accurately than those of non-threatening animals (e.g., birds, cats, or fish) under conditions of less perceptual information by presenting a series of degraded images with the Random Image Structure Evolution technique (interpolation of random noise). We find that participants recognize mosaic images of snakes, which were regarded as functionally equivalent to camouflage, more accurately than those of other animals under dissolved conditions. The present study supports the Snake Detection Theory by showing that humans have a visual system that accurately recognizes snakes under less discernible visual conditions. PMID:27783686

  7. Highly sensitive and accurate screening of 40 dyes in soft drinks by liquid chromatography-electrospray tandem mass spectrometry.

    PubMed

    Feng, Feng; Zhao, Yansheng; Yong, Wei; Sun, Li; Jiang, Guibin; Chu, Xiaogang

    2011-06-15

    A method combining solid phase extraction with high performance liquid chromatography-electrospray ionization tandem mass spectrometry was developed for the highly sensitive and accurate screening of 40 dyes, most of which are banned in foods. Electrospray ionization tandem mass spectrometry was used to identify and quantify a large number of dyes for the first time, and demonstrated greater accuracy and sensitivity than the conventional liquid chromatography-ultraviolet/visible methods. The limits of detection at a signal-to-noise ratio of 3 for the dyes are 0.0001-0.01 mg/L except for Tartrazine, Amaranth, New Red and Ponceau 4R, with detection limits of 0.5, 0.25, 0.125 and 0.125 mg/L, respectively. When this method was applied to screening of dyes in soft drinks, the recoveries ranged from 91.1 to 105%. This method has been successfully applied to screening of illegal dyes in commercial soft drink samples, and it is valuable to ensure the safety of food.

  8. A Support Vector Machine model for the prediction of proteotypic peptides for accurate mass and time proteomics

    SciTech Connect

    Webb-Robertson, Bobbie-Jo M.; Cannon, William R.; Oehmen, Christopher S.; Shah, Anuj R.; Gurumoorthi, Vidhya; Lipton, Mary S.; Waters, Katrina M.

    2008-07-01

    Motivation: The standard approach to identifying peptides based on accurate mass and elution time (AMT) compares these profiles obtained from a high resolution mass spectrometer to a database of peptides previously identified from tandem mass spectrometry (MS/MS) studies. It would be advantageous, with respect to both accuracy and cost, to only search for those peptides that are detectable by MS (proteotypic). Results: We present a Support Vector Machine (SVM) model that uses a simple descriptor space based on 35 properties of amino acid content, charge, hydrophilicity, and polarity for the quantitative prediction of proteotypic peptides. Using three independently derived AMT databases (Shewanella oneidensis, Salmonella typhimurium, Yersinia pestis) for training and validation within and across species, the SVM resulted in an average accuracy measure of ~0.8 with a standard deviation of less than 0.025. Furthermore, we demonstrate that these results are achievable with a small set of 12 variables and can achieve high proteome coverage. Availability: http://omics.pnl.gov/software/STEPP.php

  9. Retrospective screening of relevant pesticide metabolites in food using liquid chromatography high resolution mass spectrometry and accurate-mass databases of parent molecules and diagnostic fragment ions.

    PubMed

    Polgár, László; García-Reyes, Juan F; Fodor, Péter; Gyepes, Attila; Dernovics, Mihály; Abrankó, László; Gilbert-López, Bienvenida; Molina-Díaz, Antonio

    2012-08-03

    In recent years, the detection and characterization of relevant pesticide metabolites in food is an important task in order to evaluate their formation, kinetics, stability, and toxicity. In this article, a methodology for the systematic screening of pesticides and their main metabolites in fruit and vegetable samples is described, using LC-HRMS and accurate-mass database search of parent compounds and their diagnostic fragment ions. The approach is based on (i) search for parent pesticide molecules; (ii) search for their metabolites in the positive samples, assuming common fragmentation pathways between the metabolites and parent pesticide molecules; and (iii) search for pesticide conjugates using the data from both parent species and diagnostic fragment ions. An accurate-mass database was constructed consisting of 1396 compounds (850 parent compounds, 447 fragment ions and 99 metabolites). The screening process was performed by the software in an automated fashion. The proposed methodology was evaluated with 29 incurred samples and the output obtained was compared to standard pesticide testing methods (targeted LC-MS/MS). Examples on the application of the proposed approach are shown, including the detection of several pesticide glycosides derivatives, which were found with significantly relevant intensities. Glucose-conjugated forms of parent compounds (e.g., fenhexamid-O-glucoside) and those of metabolites (e.g., despropyl-iprodione-N-glycoside) were detected. Facing the lack of standards for glycosylated pesticides, the study was completed with the synthesis of fenhexamid-O-glucoside for quantification purposes. In some cases the pesticide derivatives were found in a relatively high ratio, drawing the attention to these kinds of metabolites and showing that they should not be neglected in multi-residue methods. The global coverage obtained on the 29 analyzed samples showed the usefulness and benefits of the proposed approach and highlights the practical

  10. Identification of Novel Perfluoroalkyl Ether Carboxylic Acids (PFECAs) and Sulfonic Acids (PFESAs) in Natural Waters Using Accurate Mass Time-of-Flight Mass Spectrometry (TOFMS).

    PubMed

    Strynar, Mark; Dagnino, Sonia; McMahen, Rebecca; Liang, Shuang; Lindstrom, Andrew; Andersen, Erik; McMillan, Larry; Thurman, Michael; Ferrer, Imma; Ball, Carol

    2015-10-06

    Recent scientific scrutiny and concerns over exposure, toxicity, and risk have led to international regulatory efforts resulting in the reduction or elimination of certain perfluorinated compounds from various products and waste streams. Some manufacturers have started producing shorter chain per- and polyfluorinated compounds to try to reduce the potential for bioaccumulation in humans and wildlife. Some of these new compounds contain central ether oxygens or other minor modifications of traditional perfluorinated structures. At present, there has been very limited information published on these "replacement chemistries" in the peer-reviewed literature. In this study we used a time-of-flight mass spectrometry detector (LC-ESI-TOFMS) to identify fluorinated compounds in natural waters collected from locations with historical perfluorinated compound contamination. Our workflow for discovery of chemicals included sequential sampling of surface water for identification of potential sources, nontargeted TOFMS analysis, molecular feature extraction (MFE) of samples, and evaluation of features unique to the sample with source inputs. Specifically, compounds were tentatively identified by (1) accurate mass determination of parent and/or related adducts and fragments from in-source collision-induced dissociation (CID), (2) in-depth evaluation of in-source adducts formed during analysis, and (3) confirmation with authentic standards when available. We observed groups of compounds in homologous series that differed by multiples of CF2 (m/z 49.9968) or CF2O (m/z 65.9917). Compounds in each series were chromatographically separated and had comparable fragments and adducts produced during analysis. We detected 12 novel perfluoroalkyl ether carboxylic and sulfonic acids in surface water in North Carolina, USA using this approach. A key piece of evidence was the discovery of accurate mass in-source n-mer formation (H(+) and Na(+)) differing by m/z 21.9819, corresponding to the

  11. An Accurate de novo Algorithm for Glycan Topology Determination from Mass Spectra.

    PubMed

    Dong, Liang; Shi, Bing; Tian, Guangdong; Li, YanBo; Wang, Bing; Zhou, MengChu

    2015-01-01

    Determining the glycan topology automatically from mass spectra represents a great challenge. Existing methods fall into approximate and exact ones. The former including greedy and heuristic ones can reduce the computational complexity, but suffer from information lost in the procedure of glycan interpretation. The latter including dynamic programming and exhaustive enumeration are much slower than the former. In the past years, nearly all emerging methods adopted a tree structure to represent a glycan. They share such problems as repetitive peak counting in reconstructing a candidate structure. Besides, tree-based glycan representation methods often have to give different computational formulas for binary and ternary glycans. We propose a new directed acyclic graph structure for glycan representation. Based on it, this work develops a de novo algorithm to accurately reconstruct the tree structure iteratively from mass spectra with logical constraints and some known biosynthesis rules, by a single computational formula. The experiments on multiple complex glycans extracted from human serum show that the proposed algorithm can achieve higher accuracy to determine a glycan topology than prior methods without increasing computational burden.

  12. Mass spectrometry in Earth sciences: the precise and accurate measurement of time.

    PubMed

    Schaltegger, Urs; Wotzlaw, Jörn-Frederik; Ovtcharova, Maria; Chiaradia, Massimo; Spikings, Richard

    2014-01-01

    Precise determinations of the isotopic compositions of a variety of elements is a widely applied tool in Earth sciences. Isotope ratios are used to quantify rates of geological processes that occurred during the previous 4.5 billion years, and also at the present time. An outstanding application is geochronology, which utilizes the production of radiogenic daughter isotopes by the radioactive decay of parent isotopes. Geochronological tools, involving isotopic analysis of selected elements from smallest volumes of minerals by thermal ionization mass spectrometry, provide precise and accurate measurements of time throughout the geological history of our planet over nine orders of magnitude, from the accretion of the proto-planetary disk, to the timing of the last glaciation. This article summarizes the recent efforts of the Isotope Geochemistry, Geochronology and Thermochronology research group at the University of Geneva to advance the U-Pb geochronological tool to achieve unprecedented precision and accuracy, and presents two examples of its application to two significant open questions in Earth sciences: what are the triggers and timescales of volcanic supereruptions, and what were the causes of mass extinctions in the geological past, driven by global climatic and environmental deterioration?

  13. Enantiomeric separation in comprehensive two-dimensional gas chromatography with accurate mass analysis.

    PubMed

    Chin, Sung-Tong; Nolvachai, Yada; Marriott, Philip J

    2014-11-01

    Chiral comprehensive two-dimensional gas chromatography (eGC×GC) coupled to quadrupole-accurate mass time-of-flight mass spectrometry (QTOFMS) was evaluated for its capability to report the chiral composition of several monoterpenes, namely, α-pinene, β-pinene, and limonene in cardamom oil. Enantiomers in a standard mixture were fully resolved by direct enantiomeric-GC analysis with a 2,3-di-O-methyl-6-t-butylsilyl derivatized β-cyclodextrin phase; however, the (+)-(R)-limonene enantiomer in cardamom oil was overlapped with other background components including cymene and cineole. Verification of (+)-(R)-limonene components based on characteristic ions at m/z 136, 121, and 107 acquired by chiral single-dimension GC-QTOFMS in the alternate MS/MSMS mode of operation was unsuccessful due to similar parent/daughter ions generated by interfering or co-eluting cymene and cineole. Column phases SUPELCOWAX, SLB-IL111, HP-88, and SLB-IL59, were incorporated as the second dimension column ((2)D) in chiral GC×GC analysis; the SLB-IL59 offered the best resolution for the tested monoterpene enantiomers from the matrix background. Enantiomeric ratios for α-pinene, β-pinene, and limonene were determined to be 1.325, 2.703, and 1.040, respectively, in the cardamom oil sample based on relative peak area data.

  14. Accurate and Efficient Resolution of Overlapping Isotopic Envelopes in Protein Tandem Mass Spectra

    PubMed Central

    Xiao, Kaijie; Yu, Fan; Fang, Houqin; Xue, Bingbing; Liu, Yan; Tian, Zhixin

    2015-01-01

    It has long been an analytical challenge to accurately and efficiently resolve extremely dense overlapping isotopic envelopes (OIEs) in protein tandem mass spectra to confidently identify proteins. Here, we report a computationally efficient method, called OIE_CARE, to resolve OIEs by calculating the relative deviation between the ideal and observed experimental abundance. In the OIE_CARE method, the ideal experimental abundance of a particular overlapping isotopic peak (OIP) is first calculated for all the OIEs sharing this OIP. The relative deviation (RD) of the overall observed experimental abundance of this OIP relative to the summed ideal value is then calculated. The final individual abundance of the OIP for each OIE is the individual ideal experimental abundance multiplied by 1 + RD. Initial studies were performed using higher-energy collisional dissociation tandem mass spectra on myoglobin (with direct infusion) and the intact E. coli proteome (with liquid chromatographic separation). Comprehensive data at the protein and proteome levels, high confidence and good reproducibility were achieved. The resolving method reported here can, in principle, be extended to resolve any envelope-type overlapping data for which the corresponding theoretical reference values are available. PMID:26439836

  15. CycloBranch: De Novo Sequencing of Nonribosomal Peptides from Accurate Product Ion Mass Spectra

    NASA Astrophysics Data System (ADS)

    Novák, Jiří; Lemr, Karel; Schug, Kevin A.; Havlíček, Vladimír

    2015-07-01

    Nonribosomal peptides have a wide range of biological and medical applications. Their identification by tandem mass spectrometry remains a challenging task. A new open-source de novo peptide identification engine CycloBranch was developed and successfully applied in identification or detailed characterization of 11 linear, cyclic, branched, and branch-cyclic peptides. CycloBranch is based on annotated building block databases the size of which is defined by the user according to ribosomal or nonribosomal peptide origin. The current number of involved nonisobaric and isobaric building blocks is 287 and 521, respectively. Contrary to all other peptide sequencing tools utilizing either peptide libraries or peptide fragment libraries, CycloBranch represents a true de novo sequencing engine developed for accurate mass spectrometric data. It is a stand-alone and cross-platform application with a graphical and user-friendly interface; it supports mzML, mzXML, mgf, txt, and baf file formats and can be run in parallel on multiple threads. It can be downloaded for free from http://ms.biomed.cas.cz/cyclobranch/, where the User's manual and video tutorials can be found.

  16. A miniature mass spectrometer for hydrazine detection

    NASA Technical Reports Server (NTRS)

    Houseman, J.; Sinha, M. P.

    2003-01-01

    A Miniature Mass Spectrometer (MMS) with a focal plane (Mattauch-Herzog) geometry has been developed at the Jet Propulsion Laboratory. The MMS has the potential to meet the NASA requirements of 10 parts per billion sensitivity for Hydrazine detection, as well as the requirements for instant response, portability, and low maintenance.

  17. Accurate band-to-band registration of AOTF imaging spectrometer using motion detection technology

    NASA Astrophysics Data System (ADS)

    Zhou, Pengwei; Zhao, Huijie; Jin, Shangzhong; Li, Ningchuan

    2016-05-01

    This paper concerns the problem of platform vibration induced band-to-band misregistration with acousto-optic imaging spectrometer in spaceborne application. Registrating images of different bands formed at different time or different position is difficult, especially for hyperspectral images form acousto-optic tunable filter (AOTF) imaging spectrometer. In this study, a motion detection method is presented using the polychromatic undiffracted beam of AOTF. The factors affecting motion detect accuracy are analyzed theoretically, and calculations show that optical distortion is an easily overlooked factor to achieve accurate band-to-band registration. Hence, a reflective dual-path optical system has been proposed for the first time, with reduction of distortion and chromatic aberration, indicating the potential of higher registration accuracy. Consequently, a spectra restoration experiment using additional motion detect channel is presented for the first time, which shows the accurate spectral image registration capability of this technique.

  18. Automatic Detection and Classification of Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Qu, Ming; Shih, Frank Y.; Jing, Ju; Wang, Haimin

    2006-09-01

    We present an automatic algorithm to detect, characterize, and classify coronal mass ejections (CMEs) in Large Angle Spectrometric Coronagraph (LASCO) C2 and C3 images. The algorithm includes three steps: (1) production running difference images of LASCO C2 and C3; (2) characterization of properties of CMEs such as intensity, height, angular width of span, and speed, and (3) classification of strong, median, and weak CMEs on the basis of CME characterization. In this work, image enhancement, segmentation, and morphological methods are used to detect and characterize CME regions. In addition, Support Vector Machine (SVM) classifiers are incorporated with the CME properties to distinguish strong CMEs from other weak CMEs. The real-time CME detection and classification results are recorded in a database to be available to the public. Comparing the two available CME catalogs, SOHO/LASCO and CACTus CME catalogs, we have achieved accurate and fast detection of strong CMEs and most of weak CMEs.

  19. Accurate lithography hotspot detection based on PCA-SVM classifier with hierarchical data clustering

    NASA Astrophysics Data System (ADS)

    Gao, Jhih-Rong; Yu, Bei; Pan, David Z.

    2014-03-01

    As technology nodes continues shrinking, layout patterns become more sensitive to lithography processes, resulting in lithography hotspots that need to be identified and eliminated during physical verification. In this paper, we propose an accurate hotspot detection approach based on PCA (principle component analysis)-SVM (sup- port vector machine) classifier. Several techniques, including hierarchical data clustering, data balancing, and multi-level training, are provided to enhance performance of the proposed approach. Our approach is accurate and more efficient than conventional time-consuming lithography simulation; in the meanwhile, provides high flexibility to adapt to new lithography processes and rules.

  20. Accurate derivation of heart rate variability signal for detection of sleep disordered breathing in children.

    PubMed

    Chatlapalli, S; Nazeran, H; Melarkod, V; Krishnam, R; Estrada, E; Pamula, Y; Cabrera, S

    2004-01-01

    The electrocardiogram (ECG) signal is used extensively as a low cost diagnostic tool to provide information concerning the heart's state of health. Accurate determination of the QRS complex, in particular, reliable detection of the R wave peak, is essential in computer based ECG analysis. ECG data from Physionet's Sleep-Apnea database were used to develop, test, and validate a robust heart rate variability (HRV) signal derivation algorithm. The HRV signal was derived from pre-processed ECG signals by developing an enhanced Hilbert transform (EHT) algorithm with built-in missing beat detection capability for reliable QRS detection. The performance of the EHT algorithm was then compared against that of a popular Hilbert transform-based (HT) QRS detection algorithm. Autoregressive (AR) modeling of the HRV power spectrum for both EHT- and HT-derived HRV signals was achieved and different parameters from their power spectra as well as approximate entropy were derived for comparison. Poincare plots were then used as a visualization tool to highlight the detection of the missing beats in the EHT method After validation of the EHT algorithm on ECG data from the Physionet, the algorithm was further tested and validated on a dataset obtained from children undergoing polysomnography for detection of sleep disordered breathing (SDB). Sensitive measures of accurate HRV signals were then derived to be used in detecting and diagnosing sleep disordered breathing in children. All signal processing algorithms were implemented in MATLAB. We present a description of the EHT algorithm and analyze pilot data for eight children undergoing nocturnal polysomnography. The pilot data demonstrated that the EHT method provides an accurate way of deriving the HRV signal and plays an important role in extraction of reliable measures to distinguish between periods of normal and sleep disordered breathing (SDB) in children.

  1. Robust and Accurate Anomaly Detection in ECG Artifacts Using Time Series Motif Discovery

    PubMed Central

    Sivaraks, Haemwaan

    2015-01-01

    Electrocardiogram (ECG) anomaly detection is an important technique for detecting dissimilar heartbeats which helps identify abnormal ECGs before the diagnosis process. Currently available ECG anomaly detection methods, ranging from academic research to commercial ECG machines, still suffer from a high false alarm rate because these methods are not able to differentiate ECG artifacts from real ECG signal, especially, in ECG artifacts that are similar to ECG signals in terms of shape and/or frequency. The problem leads to high vigilance for physicians and misinterpretation risk for nonspecialists. Therefore, this work proposes a novel anomaly detection technique that is highly robust and accurate in the presence of ECG artifacts which can effectively reduce the false alarm rate. Expert knowledge from cardiologists and motif discovery technique is utilized in our design. In addition, every step of the algorithm conforms to the interpretation of cardiologists. Our method can be utilized to both single-lead ECGs and multilead ECGs. Our experiment results on real ECG datasets are interpreted and evaluated by cardiologists. Our proposed algorithm can mostly achieve 100% of accuracy on detection (AoD), sensitivity, specificity, and positive predictive value with 0% false alarm rate. The results demonstrate that our proposed method is highly accurate and robust to artifacts, compared with competitive anomaly detection methods. PMID:25688284

  2. Robust and accurate anomaly detection in ECG artifacts using time series motif discovery.

    PubMed

    Sivaraks, Haemwaan; Ratanamahatana, Chotirat Ann

    2015-01-01

    Electrocardiogram (ECG) anomaly detection is an important technique for detecting dissimilar heartbeats which helps identify abnormal ECGs before the diagnosis process. Currently available ECG anomaly detection methods, ranging from academic research to commercial ECG machines, still suffer from a high false alarm rate because these methods are not able to differentiate ECG artifacts from real ECG signal, especially, in ECG artifacts that are similar to ECG signals in terms of shape and/or frequency. The problem leads to high vigilance for physicians and misinterpretation risk for nonspecialists. Therefore, this work proposes a novel anomaly detection technique that is highly robust and accurate in the presence of ECG artifacts which can effectively reduce the false alarm rate. Expert knowledge from cardiologists and motif discovery technique is utilized in our design. In addition, every step of the algorithm conforms to the interpretation of cardiologists. Our method can be utilized to both single-lead ECGs and multilead ECGs. Our experiment results on real ECG datasets are interpreted and evaluated by cardiologists. Our proposed algorithm can mostly achieve 100% of accuracy on detection (AoD), sensitivity, specificity, and positive predictive value with 0% false alarm rate. The results demonstrate that our proposed method is highly accurate and robust to artifacts, compared with competitive anomaly detection methods.

  3. An accurate assay for HCV based on real-time fluorescence detection of isothermal RNA amplification.

    PubMed

    Wu, Xuping; Wang, Jianfang; Song, Jinyun; Li, Jiayan; Yang, Yongfeng

    2016-09-01

    Hepatitis C virus (HCV) is one of the common reasons of liver fibrosis and hepatocellular carcinoma (HCC). Early, rapid and accurate HCV RNA detection is important to prevent and control liver disease. A simultaneous amplification and testing (SAT) assay, which is based on isothermal amplification of RNA and real-time fluorescence detection, was designed to optimize routine HCV RNA detection. In this study, HCV RNA and an internal control (IC) were amplified and analyzed simultaneously by SAT assay and detection of fluorescence using routine real-time PCR equipment. The assay detected as few as 10 copies of HCV RNA transcripts. We tested 705 serum samples with SAT, among which 96.4% (680/705) showed consistent results compared with routine real-time PCR. About 92% (23/25) discordant samples were confirmed to be same results as SAT-HCV by using a second real-time PCR. The sensitivity and specificity of SAT-HCV assay were 99.6% (461/463) and 100% (242/242), respectively. In conclusion, the SAT assay is an accurate test with a high specificity and sensitivity which may increase the detection rate of HCV. It is therefore a promising tool to diagnose HCV infection.

  4. Galaxy And Mass Assembly: accurate panchromatic photometry from optical priors using LAMBDAR

    NASA Astrophysics Data System (ADS)

    Wright, A. H.; Robotham, A. S. G.; Bourne, N.; Driver, S. P.; Dunne, L.; Maddox, S. J.; Alpaslan, M.; Andrews, S. K.; Bauer, A. E.; Bland-Hawthorn, J.; Brough, S.; Brown, M. J. I.; Clarke, C.; Cluver, M.; Davies, L. J. M.; Grootes, M. W.; Holwerda, B. W.; Hopkins, A. M.; Jarrett, T. H.; Kafle, P. R.; Lange, R.; Liske, J.; Loveday, J.; Moffett, A. J.; Norberg, P.; Popescu, C. C.; Smith, M.; Taylor, E. N.; Tuffs, R. J.; Wang, L.; Wilkins, S. M.

    2016-07-01

    We present the Lambda Adaptive Multi-Band Deblending Algorithm in R (LAMBDAR), a novel code for calculating matched aperture photometry across images that are neither pixel- nor PSF-matched, using prior aperture definitions derived from high-resolution optical imaging. The development of this program is motivated by the desire for consistent photometry and uncertainties across large ranges of photometric imaging, for use in calculating spectral energy distributions. We describe the program, specifically key features required for robust determination of panchromatic photometry: propagation of apertures to images with arbitrary resolution, local background estimation, aperture normalization, uncertainty determination and propagation, and object deblending. Using simulated images, we demonstrate that the program is able to recover accurate photometric measurements in both high-resolution, low-confusion, and low-resolution, high-confusion, regimes. We apply the program to the 21-band photometric data set from the Galaxy And Mass Assembly (GAMA) Panchromatic Data Release (PDR; Driver et al. 2016), which contains imaging spanning the far-UV to the far-IR. We compare photometry derived from LAMBDAR with that presented in Driver et al. (2016), finding broad agreement between the data sets. None the less, we demonstrate that the photometry from LAMBDAR is superior to that from the GAMA PDR, as determined by a reduction in the outlier rate and intrinsic scatter of colours in the LAMBDAR data set. We similarly find a decrease in the outlier rate of stellar masses and star formation rates using LAMBDAR photometry. Finally, we note an exceptional increase in the number of UV and mid-IR sources able to be constrained, which is accompanied by a significant increase in the mid-IR colour-colour parameter-space able to be explored.

  5. Toward Sensitive and Accurate Analysis of Antibody Biotherapeutics by Liquid Chromatography Coupled with Mass Spectrometry

    PubMed Central

    An, Bo; Zhang, Ming

    2014-01-01

    Remarkable methodological advances in the past decade have expanded the application of liquid chromatography coupled with mass spectrometry (LC/MS) analysis of biotherapeutics. Currently, LC/MS represents a promising alternative or supplement to the traditional ligand binding assay (LBA) in the pharmacokinetic, pharmacodynamic, and toxicokinetic studies of protein drugs, owing to the rapid and cost-effective method development, high specificity and reproducibility, low sample consumption, the capacity of analyzing multiple targets in one analysis, and the fact that a validated method can be readily adapted across various matrices and species. While promising, technical challenges associated with sensitivity, sample preparation, method development, and quantitative accuracy need to be addressed to enable full utilization of LC/MS. This article introduces the rationale and technical challenges of LC/MS techniques in biotherapeutics analysis and summarizes recently developed strategies to alleviate these challenges. Applications of LC/MS techniques on quantification and characterization of antibody biotherapeutics are also discussed. We speculate that despite the highly attractive features of LC/MS, it will not fully replace traditional assays such as LBA in the foreseeable future; instead, the forthcoming trend is likely the conjunction of biochemical techniques with versatile LC/MS approaches to achieve accurate, sensitive, and unbiased characterization of biotherapeutics in highly complex pharmaceutical/biologic matrices. Such combinations will constitute powerful tools to tackle the challenges posed by the rapidly growing needs for biotherapeutics development. PMID:25185260

  6. Identification of "Known Unknowns" Utilizing Accurate Mass Data and Chemical Abstracts Service Databases

    NASA Astrophysics Data System (ADS)

    Little, James L.; Cleven, Curtis D.; Brown, Stacy D.

    2011-02-01

    In many cases, an unknown to an investigator is actually known in the chemical literature. We refer to these types of compounds as "known unknowns." Chemical Abstracts Service (CAS) Registry is a particularly good source of these substances as it contains over 54 million entries. Accurate mass measurements can be used to query the CAS Registry by either molecular formulae or average molecular weights. Searching the database by the web-based version of SciFinder is the preferred approach when molecular formulae are available. However, if a definitive molecular formula cannot be ascertained, searching the database with STN Express by average molecular weights is a viable alternative. The results from either approach are refined by employing the number of associated references or minimal sample history as orthogonal filters. These approaches were shown to be successful in identifying "known unknowns" noted in LC-MS and even GC-MS analyses in our laboratory. In addition, they were demonstrated in the identification of a variety of compounds of interest to others.

  7. Highly sensitive capillary electrophoresis-mass spectrometry for rapid screening and accurate quantitation of drugs of abuse in urine.

    PubMed

    Kohler, Isabelle; Schappler, Julie; Rudaz, Serge

    2013-05-30

    The combination of capillary electrophoresis (CE) and mass spectrometry (MS) is particularly well adapted to bioanalysis due to its high separation efficiency, selectivity, and sensitivity; its short analytical time; and its low solvent and sample consumption. For clinical and forensic toxicology, a two-step analysis is usually performed: first, a screening step for compound identification, and second, confirmation and/or accurate quantitation in cases of presumed positive results. In this study, a fast and sensitive CE-MS workflow was developed for the screening and quantitation of drugs of abuse in urine samples. A CE with a time-of-flight MS (CE-TOF/MS) screening method was developed using a simple urine dilution and on-line sample preconcentration with pH-mediated stacking. The sample stacking allowed for a high loading capacity (20.5% of the capillary length), leading to limits of detection as low as 2 ng mL(-1) for drugs of abuse. Compound quantitation of positive samples was performed by CE-MS/MS with a triple quadrupole MS equipped with an adapted triple-tube sprayer and an electrospray ionization (ESI) source. The CE-ESI-MS/MS method was validated for two model compounds, cocaine (COC) and methadone (MTD), according to the Guidance of the Food and Drug Administration. The quantitative performance was evaluated for selectivity, response function, the lower limit of quantitation, trueness, precision, and accuracy. COC and MTD detection in urine samples was determined to be accurate over the range of 10-1000 ng mL(-1) and 21-1000 ng mL(-1), respectively.

  8. Accurate Automatic Detection of Densely Distributed Cell Nuclei in 3D Space

    PubMed Central

    Tokunaga, Terumasa; Kanamori, Manami; Teramoto, Takayuki; Jang, Moon Sun; Kuge, Sayuri; Ishihara, Takeshi; Yoshida, Ryo; Iino, Yuichi

    2016-01-01

    To measure the activity of neurons using whole-brain activity imaging, precise detection of each neuron or its nucleus is required. In the head region of the nematode C. elegans, the neuronal cell bodies are distributed densely in three-dimensional (3D) space. However, no existing computational methods of image analysis can separate them with sufficient accuracy. Here we propose a highly accurate segmentation method based on the curvatures of the iso-intensity surfaces. To obtain accurate positions of nuclei, we also developed a new procedure for least squares fitting with a Gaussian mixture model. Combining these methods enables accurate detection of densely distributed cell nuclei in a 3D space. The proposed method was implemented as a graphical user interface program that allows visualization and correction of the results of automatic detection. Additionally, the proposed method was applied to time-lapse 3D calcium imaging data, and most of the nuclei in the images were successfully tracked and measured. PMID:27271939

  9. Highly accurate moving object detection in variable bit rate video-based traffic monitoring systems.

    PubMed

    Huang, Shih-Chia; Chen, Bo-Hao

    2013-12-01

    Automated motion detection, which segments moving objects from video streams, is the key technology of intelligent transportation systems for traffic management. Traffic surveillance systems use video communication over real-world networks with limited bandwidth, which frequently suffers because of either network congestion or unstable bandwidth. Evidence supporting these problems abounds in publications about wireless video communication. Thus, to effectively perform the arduous task of motion detection over a network with unstable bandwidth, a process by which bit-rate is allocated to match the available network bandwidth is necessitated. This process is accomplished by the rate control scheme. This paper presents a new motion detection approach that is based on the cerebellar-model-articulation-controller (CMAC) through artificial neural networks to completely and accurately detect moving objects in both high and low bit-rate video streams. The proposed approach is consisted of a probabilistic background generation (PBG) module and a moving object detection (MOD) module. To ensure that the properties of variable bit-rate video streams are accommodated, the proposed PBG module effectively produces a probabilistic background model through an unsupervised learning process over variable bit-rate video streams. Next, the MOD module, which is based on the CMAC network, completely and accurately detects moving objects in both low and high bit-rate video streams by implementing two procedures: 1) a block selection procedure and 2) an object detection procedure. The detection results show that our proposed approach is capable of performing with higher efficacy when compared with the results produced by other state-of-the-art approaches in variable bit-rate video streams over real-world limited bandwidth networks. Both qualitative and quantitative evaluations support this claim; for instance, the proposed approach achieves Similarity and F1 accuracy rates that are 76

  10. The Megamaser Cosmology Project. III. Accurate Masses of Seven Supermassive Black Holes in Active Galaxies with Circumnuclear Megamaser Disks

    NASA Astrophysics Data System (ADS)

    Kuo, C. Y.; Braatz, J. A.; Condon, J. J.; Impellizzeri, C. M. V.; Lo, K. Y.; Zaw, I.; Schenker, M.; Henkel, C.; Reid, M. J.; Greene, J. E.

    2011-01-01

    Observations of H2O masers from circumnuclear disks in active galaxies for the Megamaser Cosmology Project (MCP) allow accurate measurement of the mass of supermassive black holes (BH) in these galaxies. We present the Very Long Baseline Interferometry images and kinematics of water maser emission in six active galaxies: NGC 1194, NGC 2273, NGC 2960 (Mrk 1419), NGC 4388, NGC 6264 and NGC 6323. We use the Keplerian rotation curves of these six megamaser galaxies, plus a seventh previously published, to determine accurate enclosed masses within the central ~0.3 pc of these galaxies, smaller than the radius of the sphere of influence of the central mass in all cases. We also set lower limits to the central mass densities of between 0.12 × 1010 and 61 × 1010 M sun pc-3. For six of the seven disks, the high central densities rule out clusters of stars or stellar remnants as the central objects, and this result further supports our assumption that the enclosed mass can be attributed predominantly to a supermassive BH. The seven BHs have masses ranging between 0.75 × 107 and 6.5 × 107 M sun, with the mass errors dominated by the uncertainty of the Hubble constant. We compare the megamaser BH mass determination with BH mass measured from the virial estimation method. The virial estimation BH mass in four galaxies is consistent with the megamaser BH mass, but the virial mass uncertainty is much greater. Circumnuclear megamaser disks allow the best mass determination of the central BH mass in external galaxies and significantly improve the observational basis at the low-mass end of the M-σsstarf relation. The M-σsstarf relation may not be a single, low-scatter power law as originally proposed. MCP observations continue and we expect to obtain more maser BH masses in the future.

  11. Detection of weapons of mass destruction

    NASA Astrophysics Data System (ADS)

    Bjorkholm, Paul J.

    2003-07-01

    High Energy X-ray cargo screening is a mature technology that has proven its value in the detection of contraband material hidden within cargo including fully loaded sea containers. To date high energy screening has been largely applied to manifest verification and to drug detection. However, the dramatic change in world terrorism has altered the application. Now it is essential that weapons of mass destruction (WMD"s) be interdicted with incredibly high accuracy. The implication of a missed detection has gone from loss of revenue or the lowering of the street price of drugs to potentially stopping, at least for some significant time, most world commerce. Screening containers with high energy x-rays (~250+ mm of steel penetration) is capable of detecting all nuclear threats at a fraction of the strategically important mass. The screening operation can be automated so that no human decisions are required with very low false alarms. Finally, the goal of 100% inspection of cargo inbound to the United States from the twenty largest international ports is an achievable goal with hardware costs in the area of that already spent on airport security.

  12. Detection of gunshot residues using mass spectrometry.

    PubMed

    Taudte, Regina Verena; Beavis, Alison; Blanes, Lucas; Cole, Nerida; Doble, Philip; Roux, Claude

    2014-01-01

    In recent years, forensic scientists have become increasingly interested in the detection and interpretation of organic gunshot residues (OGSR) due to the increasing use of lead- and heavy metal-free ammunition. This has also been prompted by the identification of gunshot residue- (GSR-) like particles in environmental and occupational samples. Various techniques have been investigated for their ability to detect OGSR. Mass spectrometry (MS) coupled to a chromatographic system is a powerful tool due to its high selectivity and sensitivity. Further, modern MS instruments can detect and identify a number of explosives and additives which may require different ionization techniques. Finally, MS has been applied to the analysis of both OGSR and inorganic gunshot residue (IGSR), although the "gold standard" for analysis is scanning electron microscopy with energy dispersive X-ray microscopy (SEM-EDX). This review presents an overview of the technical attributes of currently available MS and ionization techniques and their reported applications to GSR analysis.

  13. Automatic identification and accurate temporal detection of inhalations in asthma inhaler recordings.

    PubMed

    Holmes, Martin S; Le Menn, Marine; D'Arcy, Shona; Rapcan, Viliam; MacHale, Elaine; Costello, Richard W; Reilly, Richard B

    2012-01-01

    Asthma is chronic airways disease characterized by recurrent attacks of breathlessness and wheezing. Adherence to medication regimes is a common failing for asthmatic patients and there exists a requirement to monitor such patients' adherence. The detection of inhalations from recordings of inhaler use can provide empirical evidence about patients' adherence to their asthma medication regime. Manually listening to recordings of inhaler use is a tedious and time consuming process and thus an algorithm which can automatically and accurately carry out this task would be of great value. This study employs a recording device attached to a commonly used dry powder inhaler to record the acoustic signals of patients taking their prescribed medication. An algorithm was developed to automatically detect and accurately demarcate inhalations from the acoustic signals. This algorithm was tested on a dataset of 255 separate recordings of inhaler use in real world environments. The dataset was obtained from 12 asthma outpatients who attended a respiratory clinic over a three month period. Evaluation of the algorithm on this dataset achieved sensitivity of 95%, specificity of 94% and an accuracy of 89% in detecting inhalations compared to manual inhalation detection.

  14. Accurate Quantification of Lipid Species by Electrospray Ionization Mass Spectrometry — Meets a Key Challenge in Lipidomics

    PubMed Central

    Yang, Kui; Han, Xianlin

    2011-01-01

    Electrospray ionization mass spectrometry (ESI-MS) has become one of the most popular and powerful technologies to identify and quantify individual lipid species in lipidomics. Meanwhile, quantitative analysis of lipid species by ESI-MS has also become a major obstacle to meet the challenges of lipidomics. Herein, we discuss the principles, advantages, and possible limitations of different mass spectrometry-based methodologies for lipid quantification, as well as a few practical issues important for accurate quantification of individual lipid species. Accordingly, accurate quantification of individual lipid species, one of the key challenges in lipidomics, can be practically met. PMID:22905337

  15. Accurate Mass MS/MS/MS Analysis of Siderophores Ferrioxamine B and E1 by Collision-Induced Dissociation Electrospray Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Sidebottom, Ashley M.; Karty, Jonathan A.; Carlson, Erin E.

    2015-11-01

    Siderophores are bacterially secreted, small molecule iron chelators that facilitate the binding of insoluble iron (III) for reuptake and use in various biological processes. These compounds are classified by their iron (III) binding geometry, as dictated by subunit composition and include groups such as the trihydroxamates (hexadentate ligand) and catecholates (bidentate). Small modifications to the core structure such as acetylation, lipid tail addition, or cyclization, make facile characterization of new siderophores difficult by molecular ion detection alone (MS1). We have expanded upon previous fragmentation-directed studies using electrospray ionization collision-induced dissociation tandem mass spectrometry (ESI-CID-MS/MS/MS) and identified diagnostic MS3 features from the trihydroxamate siderophore class for ferrioxamine B and E1 by accurate mass. Diagnostic features for MS3 include C-C, C-N, amide, and oxime cleavage events with proposed losses of water and -CO from the iron (III) coordination sites. These insights will facilitate the discovery of novel trihydroxamate siderophores from complex sample matrices.

  16. Accurate characterization of carcinogenic DNA adducts using MALDI tandem time-of-flight mass spectrometry

    NASA Astrophysics Data System (ADS)

    Barnes, Charles A.; Chiu, Norman H. L.

    2009-01-01

    Many chemical carcinogens and their in vivo activated metabolites react readily with genomic DNA, and form covalently bound carcinogen-DNA adducts. Clinically, carcinogen-DNA adducts have been linked to various cancer diseases. Among the current methods for DNA adduct analysis, mass spectroscopic method allows the direct measurement of unlabeled DNA adducts. The goal of this study is to explore the use of matrix-assisted laser desorption/ionization tandem time-of-flight mass spectrometry (MALDI-TOF/TOF MS) to determine the identity of carcinogen-DNA adducts. Two of the known carcinogenic DNA adducts, namely N-(2'-deoxyguanosin-8-yl)-2-amino-1-methyl-6-phenyl-imidazo [4,5-b] pyridine (dG-C8-PhIP) and N-(2'-deoxyguanosin-8yl)-4-aminobiphenyl (dG-C8-ABP), were selected as our models. In MALDI-TOF MS measurements, the small matrix ion and its cluster ions did not interfere with the measurements of both selected dG adducts. To achieve a higher accuracy for the characterization of selected dG adducts, 1 keV collision energy in MALDI-TOF/TOF MS/MS was used to measure the adducts. In comparison to other MS/MS techniques with lower collision energies, more extensive precursor ion dissociations were observed. The detection of the corresponding fragment ions allowed the identities of guanine, PhIP or ABP, and the position of adduction to be confirmed. Some of the fragment ions of dG-C8-PhIP have not been reported by other MS/MS techniques.

  17. Accurate Mass GC/LC-Quadrupole Time of Flight Mass Spectrometry Analysis of Fatty Acids and Triacylglycerols of Spicy Fruits from the Apiaceae Family

    PubMed Central

    Nguyen, Thao; Aparicio, Mario; Saleh, Mahmoud A.

    2016-01-01

    The triacylglycerol (TAG) structure and the regio-stereospecific distribution of fatty acids (FA) of seed oils from most of the Apiaceae family are not well documented. The TAG structure ultimately determines the final physical properties of the oils and the position of FAs in the TAG molecule affects the digestion; absorption and metabolism; and physical and technological properties of TAGs. Fixed oils from the fruits of dill (Anethum graveolens), caraway (Carum carvi), cumin (Cuminum cyminum), coriander (Coriandrum sativum), anise (Pimpinella anisum), carrot (Daucus carota), celery (Apium graveolens), fennel (Foeniculum vulgare), and Khella (Ammi visnaga), all from the Apiaceae family, were extracted at room temperature in chloroform/methanol (2:1 v/v) using percolators. Crude lipids were fractionated by solid phase extraction to separate neutral triacylglycerols (TAGs) from other lipids components. Neutral TAGs were subjected to transesterification process to convert them to their corresponding fatty acids methyl esters (FAMES) using 1% boron trifluoride (BF3) in methanol. FAMES were analyzed by gas chromatography-quadrupole time of flight (GC-QTOF) mass spectrometry. Triglycerides were analyzed using high performance liquid chromatography-quadrupole time of flight (LC-QTOF) mass spectrometry. Petroselinic acid was the major fatty acid in all samples ranging from 57% of the total fatty acids in caraway up to 82% in fennel. All samples contained palmitic (16:0), palmitoleic (C16:1n-9), stearic (C18:0), petroselinic (C18:1n-12), linoleic (C18:2n-6), linolinic (18:3n-3), and arachidic (C20:0) acids. TAG were analyzed using LC-QTOF for accurate mass identification and mass spectrometry/mass spectrometry (MS/MS) techniques for regiospesific elucidation of the identified TAGs. Five major TAGs were detected in all samples but with different relative concentrations in all of the tested samples. Several other TAGs were detected as minor components and were present in

  18. Accurate Mass GC/LC-Quadrupole Time of Flight Mass Spectrometry Analysis of Fatty Acids and Triacylglycerols of Spicy Fruits from the Apiaceae Family.

    PubMed

    Nguyen, Thao; Aparicio, Mario; Saleh, Mahmoud A

    2015-12-02

    The triacylglycerol (TAG) structure and the regio-stereospecific distribution of fatty acids (FA) of seed oils from most of the Apiaceae family are not well documented. The TAG structure ultimately determines the final physical properties of the oils and the position of FAs in the TAG molecule affects the digestion; absorption and metabolism; and physical and technological properties of TAGs. Fixed oils from the fruits of dill (Anethum graveolens), caraway (Carum carvi), cumin (Cuminum cyminum), coriander (Coriandrum sativum), anise (Pimpinella anisum), carrot (Daucus carota), celery (Apium graveolens), fennel (Foeniculum vulgare), and Khella (Ammi visnaga), all from the Apiaceae family, were extracted at room temperature in chloroform/methanol (2:1 v/v) using percolators. Crude lipids were fractionated by solid phase extraction to separate neutral triacylglycerols (TAGs) from other lipids components. Neutral TAGs were subjected to transesterification process to convert them to their corresponding fatty acids methyl esters (FAMES) using 1% boron trifluoride (BF₃) in methanol. FAMES were analyzed by gas chromatography-quadrupole time of flight (GC-QTOF) mass spectrometry. Triglycerides were analyzed using high performance liquid chromatography-quadrupole time of flight (LC-QTOF) mass spectrometry. Petroselinic acid was the major fatty acid in all samples ranging from 57% of the total fatty acids in caraway up to 82% in fennel. All samples contained palmitic (16:0), palmitoleic (C16:1n-9), stearic (C18:0), petroselinic (C18:1n-12), linoleic (C18:2n-6), linolinic (18:3n-3), and arachidic (C20:0) acids. TAG were analyzed using LC-QTOF for accurate mass identification and mass spectrometry/mass spectrometry (MS/MS) techniques for regiospesific elucidation of the identified TAGs. Five major TAGs were detected in all samples but with different relative concentrations in all of the tested samples. Several other TAGs were detected as minor components and were present in

  19. Mass killings and detection of impacts

    NASA Technical Reports Server (NTRS)

    Mclaren, Digby J.

    1988-01-01

    Highly energetic bolide impacts occur and their flux is known. For larger bodies the energy release is greater than for any other short-term global phenomenon. Such impacts produce or release a large variety of shock induced changes including major atmospheric, sedimentologic, seismic and volcanic events. These events must necessarily leave a variety of records in the stratigraphic column, including mass killings resulting in major changes in population density and reduction or extinction of many taxonomic groups, followed by characteristic patterns of faunal and flora replacement. Of these effects, mass killings, marked by large-scale loss of biomass, are the most easily detected evidence in the field but must be manifest on a near-global scale. Such mass killings that appear to be approximately synchronous and involve disappearance of biomass at a bedding plane in many sedimentologically independent sections globally suggest a common cause and probable synchroneity. Mass killings identify an horizon which may be examined for evidence of cause. Geochemical markers may be ephemeral and absence may not be significant. There appears to be no reason why ongoing phenomena such as climate and sea-level changes are primary causes of anomolous episodic events.

  20. Accurate Detection of Dysmorphic Nuclei Using Dynamic Programming and Supervised Classification.

    PubMed

    Verschuuren, Marlies; De Vylder, Jonas; Catrysse, Hannes; Robijns, Joke; Philips, Wilfried; De Vos, Winnok H

    2017-01-01

    A vast array of pathologies is typified by the presence of nuclei with an abnormal morphology. Dysmorphic nuclear phenotypes feature dramatic size changes or foldings, but also entail much subtler deviations such as nuclear protrusions called blebs. Due to their unpredictable size, shape and intensity, dysmorphic nuclei are often not accurately detected in standard image analysis routines. To enable accurate detection of dysmorphic nuclei in confocal and widefield fluorescence microscopy images, we have developed an automated segmentation algorithm, called Blebbed Nuclei Detector (BleND), which relies on two-pass thresholding for initial nuclear contour detection, and an optimal path finding algorithm, based on dynamic programming, for refining these contours. Using a robust error metric, we show that our method matches manual segmentation in terms of precision and outperforms state-of-the-art nuclear segmentation methods. Its high performance allowed for building and integrating a robust classifier that recognizes dysmorphic nuclei with an accuracy above 95%. The combined segmentation-classification routine is bound to facilitate nucleus-based diagnostics and enable real-time recognition of dysmorphic nuclei in intelligent microscopy workflows.

  1. Continuous digital ECG analysis over accurate R-peak detection using adaptive wavelet technique.

    PubMed

    Gopalakrishnan Nair, T R; Geetha, A P; Asharani, M

    2013-10-01

    Worldwide, health care segment is under a severe challenge to achieve more accurate and intelligent biomedical systems in order to assist healthcare professionals with more accurate and consistent data as well as reliability. The role of ECG in healthcare is one of the paramount importances and it has got a multitude of abnormal relations and anomalies which characterizes intricate cardiovascular performance image. Until the recent past, ECG instruments and analysis played the role of providing the PQRST signal as raw observational output either on paper or on a console or in a file having many diagnostic clues embedded in the signal left to the expert cardiologist to look out for characteristic intervals and to detect the cardiovascular abnormality. Methods and practises are required more and more, to automate this process of cardiac expertise using knowledge engineering and an intelligent systems approach. This paper presents one of the challenging R-peak detections to classify diagnosis and estimate cardio disorders in a fully automated signal processing sequence. This study used an adaptive wavelet approach to generate an appropriate wavelet for R-signal identification under noise, baseband wandering and temporal variations of R-positions. This study designed an adaptive wavelet and successfully detected R- peak variations under various ECG signal conditions. The result and analysis of this method and the ways to use it for further purposes are presented here.

  2. Accurate Detection of Dysmorphic Nuclei Using Dynamic Programming and Supervised Classification

    PubMed Central

    Verschuuren, Marlies; De Vylder, Jonas; Catrysse, Hannes; Robijns, Joke; Philips, Wilfried

    2017-01-01

    A vast array of pathologies is typified by the presence of nuclei with an abnormal morphology. Dysmorphic nuclear phenotypes feature dramatic size changes or foldings, but also entail much subtler deviations such as nuclear protrusions called blebs. Due to their unpredictable size, shape and intensity, dysmorphic nuclei are often not accurately detected in standard image analysis routines. To enable accurate detection of dysmorphic nuclei in confocal and widefield fluorescence microscopy images, we have developed an automated segmentation algorithm, called Blebbed Nuclei Detector (BleND), which relies on two-pass thresholding for initial nuclear contour detection, and an optimal path finding algorithm, based on dynamic programming, for refining these contours. Using a robust error metric, we show that our method matches manual segmentation in terms of precision and outperforms state-of-the-art nuclear segmentation methods. Its high performance allowed for building and integrating a robust classifier that recognizes dysmorphic nuclei with an accuracy above 95%. The combined segmentation-classification routine is bound to facilitate nucleus-based diagnostics and enable real-time recognition of dysmorphic nuclei in intelligent microscopy workflows. PMID:28125723

  3. Detecting mass substructure in galaxy clusters: an aperture mass statistic for gravitational flexion

    NASA Astrophysics Data System (ADS)

    Leonard, Adrienne; King, Lindsay J.; Wilkins, Stephen M.

    2009-05-01

    Gravitational flexion has been introduced as a technique by which one can map out and study substructure in clusters of galaxies. Previous analyses involving flexion have measured the individual galaxy-galaxy flexion signal, or used either parametric techniques or a Kaiser, Squires and Broadhurst (KSB)-type inversion to reconstruct the mass distribution in Abell 1689. In this paper, we present an aperture mass statistic for flexion, and apply it to the lensed images of background galaxies obtained by ray-tracing simulations through a simple analytic mass distribution and through a galaxy cluster from the Millennium Simulation. We show that this method is effective at detecting and accurately tracing structure within clusters of galaxies on subarcminute scales with high signal to noise even using a moderate background source number density and image resolution. In addition, the method provides much more information about both the overall shape and the small-scale structure of a cluster of galaxies than can be achieved through a weak lensing mass reconstruction using gravitational shear data. Lastly, we discuss how the zero-points of the aperture mass might be used to infer the masses of structures identified using this method.

  4. Outlier Detection for Mass Spectrometric Data.

    PubMed

    Cho, HyungJun; Eo, Soo-Heang

    2016-01-01

    Mass spectrometry data are often generated from various biological or chemical experiments. However, due to technical reasons, outlying observations are often obtained, some of which may be extreme. Identifying the causes of outlying observations is important in the analysis of replicated MS data because elaborate pre-processing is essential in order to obtain successful analyses with reliable results, and because manual outlier detection is a time-consuming pre-processing step. It is natural to measure the variability of observations using standard deviation or interquartile range calculations, and in this work, these criteria for identifying outliers are presented. However, the low replicability and the heterogeneity of variability are often obstacles to outlier detection. Therefore, quantile regression methods for identifying outliers with low replication are also presented. The procedures are illustrated with artificial and real examples, while a software program is introduced to demonstrate how to apply these procedures in the R environment system.

  5. Methodological Guidelines for Accurate Detection of Viruses in Wild Plant Species.

    PubMed

    Lacroix, Christelle; Renner, Kurra; Cole, Ellen; Seabloom, Eric W; Borer, Elizabeth T; Malmstrom, Carolyn M

    2016-01-15

    Ecological understanding of disease risk, emergence, and dynamics and of the efficacy of control strategies relies heavily on efficient tools for microorganism identification and characterization. Misdetection, such as the misclassification of infected hosts as healthy, can strongly bias estimates of disease prevalence and lead to inaccurate conclusions. In natural plant ecosystems, interest in assessing microbial dynamics is increasing exponentially, but guidelines for detection of microorganisms in wild plants remain limited, particularly so for plant viruses. To address this gap, we explored issues and solutions associated with virus detection by serological and molecular methods in noncrop plant species as applied to the globally important Barley yellow dwarf virus PAV (Luteoviridae), which infects wild native plants as well as crops. With enzyme-linked immunosorbent assays (ELISA), we demonstrate how virus detection in a perennial wild plant species may be much greater in stems than in leaves, although leaves are most commonly sampled, and may also vary among tillers within an individual, thereby highlighting the importance of designing effective sampling strategies. With reverse transcription-PCR (RT-PCR), we demonstrate how inhibitors in tissues of perennial wild hosts can suppress virus detection but can be overcome with methods and products that improve isolation and amplification of nucleic acids. These examples demonstrate the paramount importance of testing and validating survey designs and virus detection methods for noncrop plant communities to ensure accurate ecological surveys and reliable assumptions about virus dynamics in wild hosts.

  6. Accurate detection and quantitation of heteroplasmic mitochondrial point mutations by pyrosequencing.

    PubMed

    White, Helen E; Durston, Victoria J; Seller, Anneke; Fratter, Carl; Harvey, John F; Cross, Nicholas C P

    2005-01-01

    Disease-causing mutations in mitochondrial DNA (mtDNA) are typically heteroplasmic and therefore interpretation of genetic tests for mitochondrial disorders can be problematic. Detection of low level heteroplasmy is technically demanding and it is often difficult to discriminate between the absence of a mutation or the failure of a technique to detect the mutation in a particular tissue. The reliable measurement of heteroplasmy in different tissues may help identify individuals who are at risk of developing specific complications and allow improved prognostic advice for patients and family members. We have evaluated Pyrosequencing technology for the detection and estimation of heteroplasmy for six mitochondrial point mutations associated with the following diseases: Leber's hereditary optical neuropathy (LHON), G3460A, G11778A, and T14484C; mitochondrial encephalopathy with lactic acidosis and stroke-like episodes (MELAS), A3243G; myoclonus epilepsy with ragged red fibers (MERRF), A8344G, and neurogenic muscle weakness, ataxia, and retinitis pigmentosa (NARP)/Leighs: T8993G/C. Results obtained from the Pyrosequencing assays for 50 patients with presumptive mitochondrial disease were compared to those obtained using the commonly used diagnostic technique of polymerase chain reaction (PCR) and restriction enzyme digestion. The Pyrosequencing assays provided accurate genotyping and quantitative determination of mutational load with a sensitivity and specificity of 100%. The MELAS A3243G mutation was detected reliably at a level of 1% heteroplasmy. We conclude that Pyrosequencing is a rapid and robust method for detecting heteroplasmic mitochondrial point mutations.

  7. Methodological Guidelines for Accurate Detection of Viruses in Wild Plant Species

    PubMed Central

    Renner, Kurra; Cole, Ellen; Seabloom, Eric W.; Borer, Elizabeth T.; Malmstrom, Carolyn M.

    2016-01-01

    Ecological understanding of disease risk, emergence, and dynamics and of the efficacy of control strategies relies heavily on efficient tools for microorganism identification and characterization. Misdetection, such as the misclassification of infected hosts as healthy, can strongly bias estimates of disease prevalence and lead to inaccurate conclusions. In natural plant ecosystems, interest in assessing microbial dynamics is increasing exponentially, but guidelines for detection of microorganisms in wild plants remain limited, particularly so for plant viruses. To address this gap, we explored issues and solutions associated with virus detection by serological and molecular methods in noncrop plant species as applied to the globally important Barley yellow dwarf virus PAV (Luteoviridae), which infects wild native plants as well as crops. With enzyme-linked immunosorbent assays (ELISA), we demonstrate how virus detection in a perennial wild plant species may be much greater in stems than in leaves, although leaves are most commonly sampled, and may also vary among tillers within an individual, thereby highlighting the importance of designing effective sampling strategies. With reverse transcription-PCR (RT-PCR), we demonstrate how inhibitors in tissues of perennial wild hosts can suppress virus detection but can be overcome with methods and products that improve isolation and amplification of nucleic acids. These examples demonstrate the paramount importance of testing and validating survey designs and virus detection methods for noncrop plant communities to ensure accurate ecological surveys and reliable assumptions about virus dynamics in wild hosts. PMID:26773088

  8. Innovations in Mass Spectrometry for Precise and Accurate Isotope Ratio Determination from Very Small Analyte Quantities (Invited)

    NASA Astrophysics Data System (ADS)

    Lloyd, N. S.; Bouman, C.; Horstwood, M. S.; Parrish, R. R.; Schwieters, J. B.

    2010-12-01

    This presentation describes progress in mass spectrometry for analysing very small analyte quantities, illustrated by example applications from nuclear forensics. In this challenging application, precise and accurate (‰) uranium isotope ratios are required from 1 - 2 µm diameter uranium oxide particles, which comprise less than 40 pg of uranium. Traditionally these are analysed using thermal ionisation mass spectrometry (TIMS), and more recently using secondary ionisation mass spectrometry (SIMS). Multicollector inductively-coupled plasma mass spectrometry (MC-ICP-MS) can offer higher productivity compared to these techniques, but is traditionally limited by low efficiency of analyte utilisation (sample through to ion detection). Samples can either be introduced as a solution, or sampled directly from solid using laser ablation. Large multi-isotope ratio datasets can help identify provenance and intended use of anthropogenic uranium and other nuclear materials [1]. The Thermo Scientific NEPTUNE Plus (Bremen, Germany) with ‘Jet Interface’ option offers unparalleled MC-ICP-MS sensitivity. An analyte utilisation of c. 4% has previously been reported for uranium [2]. This high-sensitivity configuration utilises a dry high-capacity (100 m3/h) interface pump, special skimmer and sampler cones and a desolvating nebuliser system. Coupled with new acquisition methodologies, this sensitivity enhancement makes possible the analysis of micro-particles and small sample volumes at higher precision levels than previously achieved. New, high-performance, full-size and compact discrete dynode secondary electron multipliers (SEM) exhibit excellent stability and linearity over a large dynamic range and can be configured to simultaneously measure all of the uranium isotopes. Options for high abundance-sensitivity filters on two ion beams are also available, e.g. for 236U and 234U. Additionally, amplifiers with high ohm (1012 - 1013) feedback resistors have been developed to

  9. Matching unknown empirical formulas to chemical structure using LC/MS TOF accurate mass and database searching: example of unknown pesticides on tomato skins.

    PubMed

    Thurman, E Michael; Ferrer, Imma; Fernández-Alba, Amadeo Rodriguez

    2005-03-04

    Traditionally, the screening of unknown pesticides in food has been accomplished by GC/MS methods using conventional library searching routines. However, many of the new polar and thermally labile pesticides and their degradates are more readily and easily analyzed by LC/MS methods and no searchable libraries currently exist (with the exception of some user libraries, which are limited). Therefore, there is a need for LC/MS approaches to detect unknown non-target pesticides in food. This report develops an identification scheme using a combination of LC/MS time-of-flight (accurate mass) and LC/MS ion trap MS (MS/MS) with searching of empirical formulas generated through accurate mass and a ChemIndex database or Merck Index database. The approach is different than conventional library searching of fragment ions. The concept here consists of four parts. First is the initial detection of a possible unknown pesticide in actual market-place vegetable extracts (tomato skins) using accurate mass and generating empirical formulas. Second is searching either the Merck Index database on CD (10,000 compounds) or the ChemIndex (77,000 compounds) for possible structures. Third is MS/MS of the unknown pesticide in the tomato-skin extract followed by fragment ion identification using chemical drawing software and comparison with accurate-mass ion fragments. Fourth is the verification with authentic standards, if available. Three examples of unknown, non-target pesticides are shown using a tomato-skin extract from an actual market place sample. Limitations of the approach are discussed including the use of A + 2 isotope signatures, extended databases, lack of authentic standards, and natural product unknowns in food extracts.

  10. A simplified and accurate detection of the genetically modified wheat MON71800 with one calibrator plasmid.

    PubMed

    Kim, Jae-Hwan; Park, Saet-Byul; Roh, Hyo-Jeong; Park, Sunghoon; Shin, Min-Ki; Moon, Gui Im; Hong, Jin-Hwan; Kim, Hae-Yeong

    2015-06-01

    With the increasing number of genetically modified (GM) events, unauthorized GMO releases into the food market have increased dramatically, and many countries have developed detection tools for them. This study described the qualitative and quantitative detection methods of unauthorized the GM wheat MON71800 with a reference plasmid (pGEM-M71800). The wheat acetyl-CoA carboxylase (acc) gene was used as the endogenous gene. The plasmid pGEM-M71800, which contains both the acc gene and the event-specific target MON71800, was constructed as a positive control for the qualitative and quantitative analyses. The limit of detection in the qualitative PCR assay was approximately 10 copies. In the quantitative PCR assay, the standard deviation and relative standard deviation repeatability values ranged from 0.06 to 0.25 and from 0.23% to 1.12%, respectively. This study supplies a powerful and very simple but accurate detection strategy for unauthorized GM wheat MON71800 that utilizes a single calibrator plasmid.

  11. Detection of Gunshot Residues Using Mass Spectrometry

    PubMed Central

    Blanes, Lucas; Cole, Nerida; Doble, Philip; Roux, Claude

    2014-01-01

    In recent years, forensic scientists have become increasingly interested in the detection and interpretation of organic gunshot residues (OGSR) due to the increasing use of lead- and heavy metal-free ammunition. This has also been prompted by the identification of gunshot residue- (GSR-) like particles in environmental and occupational samples. Various techniques have been investigated for their ability to detect OGSR. Mass spectrometry (MS) coupled to a chromatographic system is a powerful tool due to its high selectivity and sensitivity. Further, modern MS instruments can detect and identify a number of explosives and additives which may require different ionization techniques. Finally, MS has been applied to the analysis of both OGSR and inorganic gunshot residue (IGSR), although the “gold standard” for analysis is scanning electron microscopy with energy dispersive X-ray microscopy (SEM-EDX). This review presents an overview of the technical attributes of currently available MS and ionization techniques and their reported applications to GSR analysis. PMID:24977168

  12. THE MEGAMASER COSMOLOGY PROJECT. III. ACCURATE MASSES OF SEVEN SUPERMASSIVE BLACK HOLES IN ACTIVE GALAXIES WITH CIRCUMNUCLEAR MEGAMASER DISKS

    SciTech Connect

    Kuo, C. Y.; Braatz, J. A.; Condon, J. J.; Impellizzeri, C. M. V.; Lo, K. Y.; Zaw, I.; Schenker, M.; Henkel, C.; Reid, M. J.; Greene, J. E.

    2011-01-20

    Observations of H{sub 2}O masers from circumnuclear disks in active galaxies for the Megamaser Cosmology Project (MCP) allow accurate measurement of the mass of supermassive black holes (BH) in these galaxies. We present the Very Long Baseline Interferometry images and kinematics of water maser emission in six active galaxies: NGC 1194, NGC 2273, NGC 2960 (Mrk 1419), NGC 4388, NGC 6264 and NGC 6323. We use the Keplerian rotation curves of these six megamaser galaxies, plus a seventh previously published, to determine accurate enclosed masses within the central {approx}0.3 pc of these galaxies, smaller than the radius of the sphere of influence of the central mass in all cases. We also set lower limits to the central mass densities of between 0.12 x 10{sup 10} and 61 x 10{sup 10} M{sub sun} pc{sup -3}. For six of the seven disks, the high central densities rule out clusters of stars or stellar remnants as the central objects, and this result further supports our assumption that the enclosed mass can be attributed predominantly to a supermassive BH. The seven BHs have masses ranging between 0.75 x 10{sup 7} and 6.5 x 10{sup 7} M{sub sun}, with the mass errors dominated by the uncertainty of the Hubble constant. We compare the megamaser BH mass determination with BH mass measured from the virial estimation method. The virial estimation BH mass in four galaxies is consistent with the megamaser BH mass, but the virial mass uncertainty is much greater. Circumnuclear megamaser disks allow the best mass determination of the central BH mass in external galaxies and significantly improve the observational basis at the low-mass end of the M-{sigma}{sub *} relation. The M-{sigma}{sub *} relation may not be a single, low-scatter power law as originally proposed. MCP observations continue and we expect to obtain more maser BH masses in the future.

  13. A highly accurate wireless digital sun sensor based on profile detecting and detector multiplexing technologies

    NASA Astrophysics Data System (ADS)

    Wei, Minsong; Xing, Fei; You, Zheng

    2017-01-01

    The advancing growth of micro- and nano-satellites requires miniaturized sun sensors which could be conveniently applied in the attitude determination subsystem. In this work, a profile detecting technology based high accurate wireless digital sun sensor was proposed, which could transform a two-dimensional image into two-linear profile output so that it can realize a high update rate under a very low power consumption. A multiple spots recovery approach with an asymmetric mask pattern design principle was introduced to fit the multiplexing image detector method for accuracy improvement of the sun sensor within a large Field of View (FOV). A FOV determination principle based on the concept of FOV region was also proposed to facilitate both sub-FOV analysis and the whole FOV determination. A RF MCU, together with solar cells, was utilized to achieve the wireless and self-powered functionality. The prototype of the sun sensor is approximately 10 times lower in size and weight compared with the conventional digital sun sensor (DSS). Test results indicated that the accuracy of the prototype was 0.01° within a cone FOV of 100°. Such an autonomous DSS could be equipped flexibly on a micro- or nano-satellite, especially for highly accurate remote sensing applications.

  14. Joint iris boundary detection and fit: a real-time method for accurate pupil tracking.

    PubMed

    Barbosa, Marconi; James, Andrew C

    2014-08-01

    A range of applications in visual science rely on accurate tracking of the human pupil's movement and contraction in response to light. While the literature for independent contour detection and fitting of the iris-pupil boundary is vast, a joint approach, in which it is assumed that the pupil has a given geometric shape has been largely overlooked. We present here a global method for simultaneously finding and fitting of an elliptic or circular contour against a dark interior, which produces consistently accurate results even under non-ideal recording conditions, such as reflections near and over the boundary, droopy eye lids, or the sudden formation of tears. The specific form of the proposed optimization problem allows us to write down closed analytic formulae for the gradient and the Hessian of the objective function. Moreover, both the objective function and its derivatives can be cast into vectorized form, making the proposed algorithm significantly faster than its closest relative in the literature. We compare methods in multiple ways, both analytically and numerically, using real iris images as well as idealizations of the iris for which the ground truth boundary is precisely known. The method proposed here is illustrated under challenging recording conditions and it is shown to be robust.

  15. Joint iris boundary detection and fit: a real-time method for accurate pupil tracking

    PubMed Central

    Barbosa, Marconi; James, Andrew C.

    2014-01-01

    A range of applications in visual science rely on accurate tracking of the human pupil’s movement and contraction in response to light. While the literature for independent contour detection and fitting of the iris-pupil boundary is vast, a joint approach, in which it is assumed that the pupil has a given geometric shape has been largely overlooked. We present here a global method for simultaneously finding and fitting of an elliptic or circular contour against a dark interior, which produces consistently accurate results even under non-ideal recording conditions, such as reflections near and over the boundary, droopy eye lids, or the sudden formation of tears. The specific form of the proposed optimization problem allows us to write down closed analytic formulae for the gradient and the Hessian of the objective function. Moreover, both the objective function and its derivatives can be cast into vectorized form, making the proposed algorithm significantly faster than its closest relative in the literature. We compare methods in multiple ways, both analytically and numerically, using real iris images as well as idealizations of the iris for which the ground truth boundary is precisely known. The method proposed here is illustrated under challenging recording conditions and it is shown to be robust. PMID:25136477

  16. Accurate Monitoring and Fault Detection in Wind Measuring Devices through Wireless Sensor Networks

    PubMed Central

    Khan, Komal Saifullah; Tariq, Muhammad

    2014-01-01

    Many wind energy projects report poor performance as low as 60% of the predicted performance. The reason for this is poor resource assessment and the use of new untested technologies and systems in remote locations. Predictions about the potential of an area for wind energy projects (through simulated models) may vary from the actual potential of the area. Hence, introducing accurate site assessment techniques will lead to accurate predictions of energy production from a particular area. We solve this problem by installing a Wireless Sensor Network (WSN) to periodically analyze the data from anemometers installed in that area. After comparative analysis of the acquired data, the anemometers transmit their readings through a WSN to the sink node for analysis. The sink node uses an iterative algorithm which sequentially detects any faulty anemometer and passes the details of the fault to the central system or main station. We apply the proposed technique in simulation as well as in practical implementation and study its accuracy by comparing the simulation results with experimental results to analyze the variation in the results obtained from both simulation model and implemented model. Simulation results show that the algorithm indicates faulty anemometers with high accuracy and low false alarm rate when as many as 25% of the anemometers become faulty. Experimental analysis shows that anemometers incorporating this solution are better assessed and performance level of implemented projects is increased above 86% of the simulated models. PMID:25421739

  17. Accurate monitoring and fault detection in wind measuring devices through wireless sensor networks.

    PubMed

    Khan, Komal Saifullah; Tariq, Muhammad

    2014-11-24

    Many wind energy projects report poor performance as low as 60% of the predicted performance. The reason for this is poor resource assessment and the use of new untested technologies and systems in remote locations. Predictions about the potential of an area for wind energy projects (through simulated models) may vary from the actual potential of the area. Hence, introducing accurate site assessment techniques will lead to accurate predictions of energy production from a particular area. We solve this problem by installing a Wireless Sensor Network (WSN) to periodically analyze the data from anemometers installed in that area. After comparative analysis of the acquired data, the anemometers transmit their readings through a WSN to the sink node for analysis. The sink node uses an iterative algorithm which sequentially detects any faulty anemometer and passes the details of the fault to the central system or main station. We apply the proposed technique in simulation as well as in practical implementation and study its accuracy by comparing the simulation results with experimental results to analyze the variation in the results obtained from both simulation model and implemented model. Simulation results show that the algorithm indicates faulty anemometers with high accuracy and low false alarm rate when as many as 25% of the anemometers become faulty. Experimental analysis shows that anemometers incorporating this solution are better assessed and performance level of implemented projects is increased above 86% of the simulated models.

  18. Accurate determination of ultra-trace impurities, including europium, in ultra-pure barium carbonate materials through inductively coupled plasma-tandem mass spectrometry

    NASA Astrophysics Data System (ADS)

    Wu, Shuchao; Zeng, Xiangcheng; Dai, Xuefeng; Hu, Yongping; Li, Gang; Zheng, Cunjiang

    2016-09-01

    Impurities, especially ultra-trace europium (Eu), in ultra-pure barium carbonate materials were accurately determined through inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS). Two reaction modes, namely, mass shift (with O2 as reaction gas) and on-mass modes(with NH3/He and He as reaction gases), were extensively investigated using Eu+ as target analyte. The use of Eu+ → EuO2+, instead of Eu+ → EuO+, as ion pairs in mass shift mode eliminated polyatomic interferences based on Ba matrix ions (135Ba16O2+ on 151Eu16O+ and 137Ba16O2+ on 153Eu16O+). This procedure exhibited enhanced sensitivity and selectivity. When the ICP-MS/MS was operated in NH3 on-mass mode, Eu+ can be determined in its original mass in interference-free conditions because NH3 did not react with Eu+ but with BaO+ to form a neutral product (BaO). The two reaction modes, especially NH3 on mass mode, were validated to be accurate because their resultant isotope ratios of 153Eu/151Eu matched well with that of the natural abundance ratio. The proposed ICP-MS/MS method is a sensitive technique with a limit of detection as low as 2.0 ng L- 1 for 153Eu+. Compared with conventional single-quadrupole (SQ) ICP-MS, both NH3 on-mass mode and O2 mass shift mode in ICP-MS/MS can be used to accurately determine Eu+ in ultra-pure BaCO3 materials. The detected concentration of Eu+ was 4.0 ng L- 1 to 15 ng L- 1, with spiked recoveries ranging from 100%-110%. ICP-MS/MS was also used to eliminate polyatomic interferences, particularly Ba-based interferences, prior to measurement of Gd and Sm. Impurities, including Na, Mg, Al, K, Mn, Fe, Cr, Sr, and Cs, in ultra-pure BaCO3 materials were also determined using ICP-MS/MS in conventional SQ mode.

  19. ROM Plus®: accurate point-of-care detection of ruptured fetal membranes

    PubMed Central

    McQuivey, Ross W; Block, Jon E

    2016-01-01

    Accurate and timely diagnosis of rupture of fetal membranes is imperative to inform and guide gestational age-specific interventions to optimize perinatal outcomes and reduce the risk of serious complications, including preterm delivery and infections. The ROM Plus is a rapid, point-of-care, qualitative immunochromatographic diagnostic test that uses a unique monoclonal/polyclonal antibody approach to detect two different proteins found in amniotic fluid at high concentrations: alpha-fetoprotein and insulin-like growth factor binding protein-1. Clinical study results have uniformly demonstrated high diagnostic accuracy and performance characteristics with this point-of-care test that exceeds conventional clinical testing with external laboratory evaluation. The description, indications for use, procedural steps, and laboratory and clinical characterization of this assay are presented in this article. PMID:27274316

  20. ROM Plus(®): accurate point-of-care detection of ruptured fetal membranes.

    PubMed

    McQuivey, Ross W; Block, Jon E

    2016-01-01

    Accurate and timely diagnosis of rupture of fetal membranes is imperative to inform and guide gestational age-specific interventions to optimize perinatal outcomes and reduce the risk of serious complications, including preterm delivery and infections. The ROM Plus is a rapid, point-of-care, qualitative immunochromatographic diagnostic test that uses a unique monoclonal/polyclonal antibody approach to detect two different proteins found in amniotic fluid at high concentrations: alpha-fetoprotein and insulin-like growth factor binding protein-1. Clinical study results have uniformly demonstrated high diagnostic accuracy and performance characteristics with this point-of-care test that exceeds conventional clinical testing with external laboratory evaluation. The description, indications for use, procedural steps, and laboratory and clinical characterization of this assay are presented in this article.

  1. Medical Image Watermarking Technique for Accurate Tamper Detection in ROI and Exact Recovery of ROI.

    PubMed

    Eswaraiah, R; Sreenivasa Reddy, E

    2014-01-01

    In telemedicine while transferring medical images tampers may be introduced. Before making any diagnostic decisions, the integrity of region of interest (ROI) of the received medical image must be verified to avoid misdiagnosis. In this paper, we propose a novel fragile block based medical image watermarking technique to avoid embedding distortion inside ROI, verify integrity of ROI, detect accurately the tampered blocks inside ROI, and recover the original ROI with zero loss. In this proposed method, the medical image is segmented into three sets of pixels: ROI pixels, region of noninterest (RONI) pixels, and border pixels. Then, authentication data and information of ROI are embedded in border pixels. Recovery data of ROI is embedded into RONI. Results of experiments conducted on a number of medical images reveal that the proposed method produces high quality watermarked medical images, identifies the presence of tampers inside ROI with 100% accuracy, and recovers the original ROI without any loss.

  2. Accurate Empirical Radii and Masses of Planets and Their Host Stars with Gaia Parallaxes

    NASA Astrophysics Data System (ADS)

    Stassun, Keivan G.; Collins, Karen A.; Gaudi, B. Scott

    2017-03-01

    We present empirical measurements of the radii of 116 stars that host transiting planets. These radii are determined using only direct observables—the bolometric flux at Earth, the effective temperature, and the parallax provided by the Gaia first data release—and thus are virtually model independent, with extinction being the only free parameter. We also determine each star’s mass using our newly determined radius and the stellar density, a virtually model independent quantity itself from previously published transit analyses. These stellar radii and masses are in turn used to redetermine the transiting-planet radii and masses, again using only direct observables. The median uncertainties on the stellar radii and masses are 8% and 30%, respectively, and the resulting uncertainties on the planet radii and masses are 9% and 22%, respectively. These accuracies are generally larger than previously published model-dependent precisions of 5% and 6% on the planet radii and masses, respectively, but the newly determined values are purely empirical. We additionally report radii for 242 stars hosting radial-velocity (non-transiting) planets, with a median achieved accuracy of ≈2%. Using our empirical stellar masses we verify that the majority of putative “retired A stars” in the sample are indeed more massive than ∼1.2 {M}ȯ . Most importantly, the bolometric fluxes and angular radii reported here for a total of 498 planet host stars—with median accuracies of 1.7% and 1.8%, respectively—serve as a fundamental data set to permit the re-determination of transiting-planet radii and masses with the Gaia second data release to ≈3% and ≈5% accuracy, better than currently published precisions, and determined in an entirely empirical fashion.

  3. The determination of phenolic profiles of Serbian unifloral honeys using ultra-high-performance liquid chromatography/high resolution accurate mass spectrometry.

    PubMed

    Kečkeš, Silvio; Gašić, Uroš; Veličković, Tanja Ćirković; Milojković-Opsenica, Dušanka; Natić, Maja; Tešić, Živoslav

    2013-05-01

    Polyphenolic profiles of 44 unifloral Serbian honeys were analyzed using ultra-high-performance liquid chromatography (UHPLC) coupled with hybrid mass spectrometer which combines the Linear Trap Quadrupole (LTQ) and OrbiTrap mass analyzer. Rapid UHPLC method was developed in combination with a high sensitivity accurate mass scan and a simultaneous data dependent scan. The honey samples were of different botanical origin: acacia (Robinia pseudoacacia), sunflower (Helianthus annuus), linden (Tilia cordata), basil (Ocimum basilicum), buckwheat (Fagopyrum esculentum), oilseed rape (Brassica napus), and goldenrod (Solidago virgaurea). The presence of 43 compounds, mainly flavonoids, was proven in all honey samples by their characteristic mass spectra and fragmentation pattern. Relatively high amounts of chrysin, pinocembrin and galangin were identified in all honey extracts. p-Coumaric acid was not detected in basil, buckwheat and goldenrod honey extracts. A larger amount of gallic acid (max value 1.45 mg/kg) was found in the sunflower honey, while a larger amount of apigenin (0.97 mg/kg) was determined in the buckwheat honey in comparison with other honeys. The samples were classified according to the botanical origin using pattern recognition technique, Principal Component Analysis (PCA). The LTQ OrbiTrap technique was proven to be reliable for the unambiguous detection of phenolic acids, their derivatives, and flavonoid aglycones based on their molecular masses and fragmentation pattern.

  4. Advances in Proteomics Data Analysis and Display Using an Accurate Mass and Time Tag Approach

    PubMed Central

    Zimmer, Jennifer S.D.; Monroe, Matthew E.; Qian, Wei-Jun; Smith, Richard D.

    2007-01-01

    Proteomics has recently demonstrated utility in understanding cellular processes on the molecular level as a component of systems biology approaches and for identifying potential biomarkers of various disease states. The large amount of data generated by utilizing high efficiency (e.g., chromatographic) separations coupled to high mass accuracy mass spectrometry for high-throughput proteomics analyses presents challenges related to data processing, analysis, and display. This review focuses on recent advances in nanoLC-FTICR-MS-based proteomics approaches and the accompanying data processing tools that have been developed to display and interpret the large volumes of data being produced. PMID:16429408

  5. Rapid Evaporative Ionisation Mass Spectrometry (REIMS) Provides Accurate Direct from Culture Species Identification within the Genus Candida.

    PubMed

    Cameron, Simon J S; Bolt, Frances; Perdones-Montero, Alvaro; Rickards, Tony; Hardiman, Kate; Abdolrasouli, Alireza; Burke, Adam; Bodai, Zsolt; Karancsi, Tamas; Simon, Daniel; Schaffer, Richard; Rebec, Monica; Balog, Julia; Takáts, Zoltan

    2016-11-14

    Members of the genus Candida, such as C. albicans and C. parapsilosis, are important human pathogens. Other members of this genus, previously believed to carry minimal disease risk, are increasingly recognised as important human pathogens, particularly because of variations in susceptibilities to widely used anti-fungal agents. Thus, rapid and accurate identification of clinical Candida isolates is fundamental in ensuring timely and effective treatments are delivered. Rapid Evaporative Ionisation Mass Spectrometry (REIMS) has previously been shown to provide a high-throughput platform for the rapid and accurate identification of bacterial and fungal isolates. In comparison to commercially available matrix assisted laser desorption ionisation time of flight mass spectrometry (MALDI-ToF), REIMS based methods require no preparative steps nor time-consuming cell extractions. Here, we report on the ability of REIMS-based analysis to rapidly and accurately identify 153 clinical Candida isolates to species level. Both handheld bipolar REIMS and high-throughput REIMS platforms showed high levels of species classification accuracy, with 96% and 100% of isolates classified correctly to species level respectively. In addition, significantly different (FDR corrected P value < 0.05) lipids within the 600 to 1000 m/z mass range were identified, which could act as species-specific biomarkers in complex microbial communities.

  6. Rapid Evaporative Ionisation Mass Spectrometry (REIMS) Provides Accurate Direct from Culture Species Identification within the Genus Candida

    PubMed Central

    Cameron, Simon J. S.; Bolt, Frances; Perdones-Montero, Alvaro; Rickards, Tony; Hardiman, Kate; Abdolrasouli, Alireza; Burke, Adam; Bodai, Zsolt; Karancsi, Tamas; Simon, Daniel; Schaffer, Richard; Rebec, Monica; Balog, Julia; Takáts, Zoltan

    2016-01-01

    Members of the genus Candida, such as C. albicans and C. parapsilosis, are important human pathogens. Other members of this genus, previously believed to carry minimal disease risk, are increasingly recognised as important human pathogens, particularly because of variations in susceptibilities to widely used anti-fungal agents. Thus, rapid and accurate identification of clinical Candida isolates is fundamental in ensuring timely and effective treatments are delivered. Rapid Evaporative Ionisation Mass Spectrometry (REIMS) has previously been shown to provide a high-throughput platform for the rapid and accurate identification of bacterial and fungal isolates. In comparison to commercially available matrix assisted laser desorption ionisation time of flight mass spectrometry (MALDI-ToF), REIMS based methods require no preparative steps nor time-consuming cell extractions. Here, we report on the ability of REIMS-based analysis to rapidly and accurately identify 153 clinical Candida isolates to species level. Both handheld bipolar REIMS and high-throughput REIMS platforms showed high levels of species classification accuracy, with 96% and 100% of isolates classified correctly to species level respectively. In addition, significantly different (FDR corrected P value < 0.05) lipids within the 600 to 1000 m/z mass range were identified, which could act as species-specific biomarkers in complex microbial communities. PMID:27841356

  7. Functional neuroimaging of visuospatial working memory tasks enables accurate detection of attention deficit and hyperactivity disorder

    PubMed Central

    Hammer, Rubi; Cooke, Gillian E.; Stein, Mark A.; Booth, James R.

    2015-01-01

    Finding neurobiological markers for neurodevelopmental disorders, such as attention deficit and hyperactivity disorder (ADHD), is a major objective of clinicians and neuroscientists. We examined if functional Magnetic Resonance Imaging (fMRI) data from a few distinct visuospatial working memory (VSWM) tasks enables accurately detecting cases with ADHD. We tested 20 boys with ADHD combined type and 20 typically developed (TD) boys in four VSWM tasks that differed in feedback availability (feedback, no-feedback) and reward size (large, small). We used a multimodal analysis based on brain activity in 16 regions of interest, significantly activated or deactivated in the four VSWM tasks (based on the entire participants' sample). Dimensionality of the data was reduced into 10 principal components that were used as the input variables to a logistic regression classifier. fMRI data from the four VSWM tasks enabled a classification accuracy of 92.5%, with high predicted ADHD probability values for most clinical cases, and low predicted ADHD probabilities for most TDs. This accuracy level was higher than those achieved by using the fMRI data of any single task, or the respective behavioral data. This indicates that task-based fMRI data acquired while participants perform a few distinct VSWM tasks enables improved detection of clinical cases. PMID:26509111

  8. COSMOS: accurate detection of somatic structural variations through asymmetric comparison between tumor and normal samples.

    PubMed

    Yamagata, Koichi; Yamanishi, Ayako; Kokubu, Chikara; Takeda, Junji; Sese, Jun

    2016-05-05

    An important challenge in cancer genomics is precise detection of structural variations (SVs) by high-throughput short-read sequencing, which is hampered by the high false discovery rates of existing analysis tools. Here, we propose an accurate SV detection method named COSMOS, which compares the statistics of the mapped read pairs in tumor samples with isogenic normal control samples in a distinct asymmetric manner. COSMOS also prioritizes the candidate SVs using strand-specific read-depth information. Performance tests on modeled tumor genomes revealed that COSMOS outperformed existing methods in terms of F-measure. We also applied COSMOS to an experimental mouse cell-based model, in which SVs were induced by genome engineering and gamma-ray irradiation, followed by polymerase chain reaction-based confirmation. The precision of COSMOS was 84.5%, while the next best existing method was 70.4%. Moreover, the sensitivity of COSMOS was the highest, indicating that COSMOS has great potential for cancer genome analysis.

  9. COSMOS: accurate detection of somatic structural variations through asymmetric comparison between tumor and normal samples

    PubMed Central

    Yamagata, Koichi; Yamanishi, Ayako; Kokubu, Chikara; Takeda, Junji; Sese, Jun

    2016-01-01

    An important challenge in cancer genomics is precise detection of structural variations (SVs) by high-throughput short-read sequencing, which is hampered by the high false discovery rates of existing analysis tools. Here, we propose an accurate SV detection method named COSMOS, which compares the statistics of the mapped read pairs in tumor samples with isogenic normal control samples in a distinct asymmetric manner. COSMOS also prioritizes the candidate SVs using strand-specific read-depth information. Performance tests on modeled tumor genomes revealed that COSMOS outperformed existing methods in terms of F-measure. We also applied COSMOS to an experimental mouse cell-based model, in which SVs were induced by genome engineering and gamma-ray irradiation, followed by polymerase chain reaction-based confirmation. The precision of COSMOS was 84.5%, while the next best existing method was 70.4%. Moreover, the sensitivity of COSMOS was the highest, indicating that COSMOS has great potential for cancer genome analysis. PMID:26833260

  10. Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize plant extracts

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. However, th...

  11. Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize phytochemicals in plant extracts

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. New methods a...

  12. Collision-induced fragmentation accurate mass spectrometric analysis methods to rapidly characterize plant extracts

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The rapid advances in analytical chromatography equipment have made the reliable and reproducible measurement of a wide range of plant chemical components possible. Full chemical characterization of a given plant material is possible with the new mass spectrometers currently available. For phytochem...

  13. How accurately do we know interannual variations of surface mass balance and firn volume in Antarctica?

    NASA Astrophysics Data System (ADS)

    Horwath, Martin; van den Broeke, Michiel R.; Lenaerts, Jan T. M.; Ligtenberg, Stefan R. M.; Legrésy, Benoît; Blarel, Fabien

    2013-04-01

    Knowing the interannual variations in the Antarctic ice sheet net snow accumulation, or surface mass balance (SMB), is essential for analyzing and interpreting present-day observations. For example, accumulation events like the one in East Antarctica in 2009 (Shepherd et al. 2012, Science, doi: 10.1126/science.1228102) challenge our ability to interpret observed decadal-scale trends in terms of long-term changes versus natural fluctuations. SMB variations cause changes in the firn density structure, which need to be accounted for when converting volume trends from satellite altimetry into mass trends. Recent assessments of SMB and firn volume variations mainly rely on atmospheric modeling and firn densification modeling (FDM). The modeling results need observational validation, which has been limited by now. Geodetic observations by satellite altimetry and satellite gravimetry reflect interannual firn volume and mass changes, among other signals like changes in ice flow dynamics. Therefore, these observations provide a means of validating modeling results over the observational period. We present comprehensive comparisons between interannual volume variations from ENVISAT radar altimetry (RA) and firn densification modeling (FDM), and between interannual mass variations from SMB modeling by the regional atmospheric climate model RACMO2 and GRACE satellite gravimetry. The comparisons are performed based on time series with approximately monthly sampling and with the overlapping period from 2002 to 2010. The RA-FDM comparison spans the spatial scales from 27 km to the continental scale. The mass comparison refers to the regional (drainage basin) and continental scale. Overall, we find good agreement between the interannual variations described by the models and by the geodetic observations. This agreement proves our ability to track and understand SMB-related ice sheet variations from year to year. The assessment of differences between modeling and observations

  14. Accurate mass analysis of ethanesulfonic acid degradates of acetochlor and alachlor using high-performance liquid chromatography and time-of-flight mass spectrometry

    USGS Publications Warehouse

    Thurman, E.M.; Ferrer, Imma; Parry, R.

    2002-01-01

    Degradates of acetochlor and alachlor (ethanesulfonic acids, ESAs) were analyzed in both standards and in a groundwater sample using high-performance liquid chromatography-time-of-flight mass spectrometry with electrospray ionization. The negative pseudomolecular ion of the secondary amide of acetochlor ESA and alachlor ESA gave average masses of 256.0750+/-0.0049 amu and 270.0786+/-0.0064 amu respectively. Acetochlor and alachlor ESA gave similar masses of 314.1098+/-0.0061 amu and 314.1153+/-0.0048 amu; however, they could not be distinguished by accurate mass because they have the same empirical formula. On the other hand, they may be distinguished using positive-ion electrospray because of different fragmentation spectra, which did not occur using negative-ion electrospray.

  15. Accurate mass analysis of ethanesulfonic acid degradates of acetochlor and alachlor using high-performance liquid chromatography and time-of-flight mass spectrometry

    USGS Publications Warehouse

    Thurman, E.M.; Ferrer, I.; Parry, R.

    2002-01-01

    Degradates of acetochlor and alachlor (ethanesulfonic acids, ESAs) were analyzed in both standards and in a groundwater sample using high-performance liquid chromatography-time-of-flight mass spectrometry with electrospray ionization. The negative pseudomolecular ion of the secondary amide of acetochlor ESA and alachlor ESA gave average masses of 256.0750??0.0049 amu and 270.0786??0.0064 amu respectively. Acetochlor and alachlor ESA gave similar masses of 314.1098??0.0061 amu and 314.1153??0.0048 amu; however, they could not be distinguished by accurate mass because they have the same empirical formula. On the other hand, they may be distinguished using positive-ion electrospray because of different fragmentation spectra, which did not occur using negative-ion electrospray.

  16. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

    PubMed Central

    Kind, Tobias; Fiehn, Oliver

    2007-01-01

    Background Structure elucidation of unknown small molecules by mass spectrometry is a challenge despite advances in instrumentation. The first crucial step is to obtain correct elemental compositions. In order to automatically constrain the thousands of possible candidate structures, rules need to be developed to select the most likely and chemically correct molecular formulas. Results An algorithm for filtering molecular formulas is derived from seven heuristic rules: (1) restrictions for the number of elements, (2) LEWIS and SENIOR chemical rules, (3) isotopic patterns, (4) hydrogen/carbon ratios, (5) element ratio of nitrogen, oxygen, phosphor, and sulphur versus carbon, (6) element ratio probabilities and (7) presence of trimethylsilylated compounds. Formulas are ranked according to their isotopic patterns and subsequently constrained by presence in public chemical databases. The seven rules were developed on 68,237 existing molecular formulas and were validated in four experiments. First, 432,968 formulas covering five million PubChem database entries were checked for consistency. Only 0.6% of these compounds did not pass all rules. Next, the rules were shown to effectively reducing the complement all eight billion theoretically possible C, H, N, S, O, P-formulas up to 2000 Da to only 623 million most probable elemental compositions. Thirdly 6,000 pharmaceutical, toxic and natural compounds were selected from DrugBank, TSCA and DNP databases. The correct formulas were retrieved as top hit at 80–99% probability when assuming data acquisition with complete resolution of unique compounds and 5% absolute isotope ratio deviation and 3 ppm mass accuracy. Last, some exemplary compounds were analyzed by Fourier transform ion cyclotron resonance mass spectrometry and by gas chromatography-time of flight mass spectrometry. In each case, the correct formula was ranked as top hit when combining the seven rules with database queries. Conclusion The seven rules enable an

  17. Identification of protein O-glycosylation site and corresponding glycans using liquid chromatography-tandem mass spectrometry via mapping accurate mass and retention time shift.

    PubMed

    Huang, Li-Juan; Lin, Jen-Hui; Tsai, Jung-Heng; Chu, Yen-Yin; Chen, Yen-Wen; Chen, Shun-Li; Chen, Shu-Hui

    2014-12-05

    We reported an improved combinatorial approach for identifying site-specific O-glycosylation using both glycan cleaved and non-cleaved methods. In this approach, a non-reducing β-elimination kit coupled with non-specific enzymes performed efficient digestion, O-glycan cleavage, and partial dephosphorylation without significant side reactions, thus enabling an automatic database search for the cleaved O-glycosylation or serine/threonine (S/T) phosphorylation sites. From the same sample concurrently prepared without β-elimination, the corresponding intact O-glycopeptides were mapped by accurate precursor ion mass using an in-house glycan database majorly composed of GalNAc (mucin-type) core and the retention-time shift (ΔRt). Each glycopeptide assignment was verified by the detection of glycan-specific fragments using collision-induced dissociation (CID) to estimate False Discovery Rate (FDR). Using fetuin as a model, all identified S/T elimination sites were matched to multiple intact glycopeptides with a 31% FDR. This considerably reduced to 0% FDR by ΔRt filtering. This approach was then applied to a protein mixture composed of therapeutic Factor IX and Enbrel(®) mixed with fetuin and kappa-casein. A total of 26 glycosylation sites each of which corresponds to 1-4 glycans were positively mapped and confirmed. The FDR decreased from 33% to 3.3% by ΔRt filtering and exclusion of repeated peptide tags that covered the same glycosylation sites. Moreover, the phosphorylation and O-glycosylation on the same site such as T159 of Factor IX and T170 of kappa-casein were able to be unambiguously differentiated. Thus, our approach is useful for in-depth characterization of site-specific O-glycosylation of a simple mixture such as protein-based therapeutics.

  18. High Mass Ion Detection with Charge Detector Coupled to Rectilinear Ion Trap Mass Spectrometer

    NASA Astrophysics Data System (ADS)

    Patil, Avinash A.; Chou, Szu-Wei; Chang, Pei-Yu; Lee, Chen-Wei; Cheng, Chun-Yen; Chu, Ming-Lee; Peng, Wen-Ping

    2016-12-01

    Conventional linear ion trap mass analyzers (LIT-MS) provide high ion capacity and show their MS n ability; however, the detection of high mass ions is still challenging because LIT-MS with secondary electron detectors (SED) cannot detect high mass ions. To detect high mass ions, we coupled a charge detector (CD) to a rectilinear ion trap mass spectrometer (RIT-MS). Immunoglobulin G ions (m/z 150,000) are measured successfully with controlled ion kinetic energy. In addition, when mass-to-charge (m/z) ratios of singly charged ions exceed 10 kTh, the detection efficiency of CD is found to be greater than that of SED. The CD can be coupled to LIT-MS to extend the detection mass range and provide the potential to perform MS n of high mass ions inside the ion trap.

  19. Accurate determination of silver nanoparticles in animal tissues by inductively coupled plasma mass spectrometry

    NASA Astrophysics Data System (ADS)

    Veverková, Lenka; Hradilová, Šárka; Milde, David; Panáček, Aleš; Skopalová, Jana; Kvítek, Libor; Petrželová, Kamila; Zbořil, Radek

    2014-12-01

    This study examined recoveries of silver determination in animal tissues after wet digestion by inductively coupled plasma mass spectrometry. The composition of the mineralization mixture for microwave assisted digestion was optimized and the best recoveries were obtained for mineralization with HNO3 and addition of HCl promptly after digestion. The optimization was performed on model samples of chicken meat spiked with silver nanoparticles and a solution of ionic silver. Basic calculations of theoretical distribution of Ag among various silver-containing species were implemented and the results showed that most of the silver is in the form of soluble complexes AgCl2- and AgCl32 - for the optimized composition of the mineralization mixture. Three animal tissue certified reference materials were then analyzed to verify the trueness and precision of the results.

  20. GridMass: a fast two-dimensional feature detection method for LC/MS.

    PubMed

    Treviño, Victor; Yañez-Garza, Irma-Luz; Rodriguez-López, Carlos E; Urrea-López, Rafael; Garza-Rodriguez, Maria-Lourdes; Barrera-Saldaña, Hugo-Alberto; Tamez-Peña, José G; Winkler, Robert; Díaz de-la-Garza, Rocío-Isabel

    2015-01-01

    One of the initial and critical procedures for the analysis of metabolomics data using liquid chromatography and mass spectrometry is feature detection. Feature detection is the process to detect boundaries of the mass surface from raw data. It consists of detected abundances arranged in a two-dimensional (2D) matrix of mass/charge and elution time. MZmine 2 is one of the leading software environments that provide a full analysis pipeline for these data. However, the feature detection algorithms provided in MZmine 2 are based mainly on the analysis of one-dimension at a time. We propose GridMass, an efficient algorithm for 2D feature detection. The algorithm is based on landing probes across the chromatographic space that are moved to find local maxima providing accurate boundary estimations. We tested GridMass on a controlled marker experiment, on plasma samples, on plant fruits, and in a proteome sample. Compared with other algorithms, GridMass is faster and may achieve comparable or better sensitivity and specificity. As a proof of concept, GridMass has been implemented in Java under the MZmine 2 environment and is available at http://www.bioinformatica.mty.itesm.mx/GridMass and MASSyPup. It has also been submitted to the MZmine 2 developing community.

  1. Faster and more accurate graphical model identification of tandem mass spectra using trellises

    PubMed Central

    Wang, Shengjie; Halloran, John T.; Bilmes, Jeff A.; Noble, William S.

    2016-01-01

    Tandem mass spectrometry (MS/MS) is the dominant high throughput technology for identifying and quantifying proteins in complex biological samples. Analysis of the tens of thousands of fragmentation spectra produced by an MS/MS experiment begins by assigning to each observed spectrum the peptide that is hypothesized to be responsible for generating the spectrum. This assignment is typically done by searching each spectrum against a database of peptides. To our knowledge, all existing MS/MS search engines compute scores individually between a given observed spectrum and each possible candidate peptide from the database. In this work, we use a trellis, a data structure capable of jointly representing a large set of candidate peptides, to avoid redundantly recomputing common sub-computations among different candidates. We show how trellises may be used to significantly speed up existing scoring algorithms, and we theoretically quantify the expected speedup afforded by trellises. Furthermore, we demonstrate that compact trellis representations of whole sets of peptides enables efficient discriminative learning of a dynamic Bayesian network for spectrum identification, leading to greatly improved spectrum identification accuracy. Contact: bilmes@uw.edu or william-noble@uw.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27307634

  2. MIDAS robust trend estimator for accurate GPS station velocities without step detection.

    PubMed

    Blewitt, Geoffrey; Kreemer, Corné; Hammond, William C; Gazeaux, Julien

    2016-03-01

    Automatic estimation of velocities from GPS coordinate time series is becoming required to cope with the exponentially increasing flood of available data, but problems detectable to the human eye are often overlooked. This motivates us to find an automatic and accurate estimator of trend that is resistant to common problems such as step discontinuities, outliers, seasonality, skewness, and heteroscedasticity. Developed here, Median Interannual Difference Adjusted for Skewness (MIDAS) is a variant of the Theil-Sen median trend estimator, for which the ordinary version is the median of slopes vij  = (xj-xi )/(tj-ti ) computed between all data pairs i > j. For normally distributed data, Theil-Sen and least squares trend estimates are statistically identical, but unlike least squares, Theil-Sen is resistant to undetected data problems. To mitigate both seasonality and step discontinuities, MIDAS selects data pairs separated by 1 year. This condition is relaxed for time series with gaps so that all data are used. Slopes from data pairs spanning a step function produce one-sided outliers that can bias the median. To reduce bias, MIDAS removes outliers and recomputes the median. MIDAS also computes a robust and realistic estimate of trend uncertainty. Statistical tests using GPS data in the rigid North American plate interior show ±0.23 mm/yr root-mean-square (RMS) accuracy in horizontal velocity. In blind tests using synthetic data, MIDAS velocities have an RMS accuracy of ±0.33 mm/yr horizontal, ±1.1 mm/yr up, with a 5th percentile range smaller than all 20 automatic estimators tested. Considering its general nature, MIDAS has the potential for broader application in the geosciences.

  3. MIDAS robust trend estimator for accurate GPS station velocities without step detection

    NASA Astrophysics Data System (ADS)

    Blewitt, Geoffrey; Kreemer, Corné; Hammond, William C.; Gazeaux, Julien

    2016-03-01

    Automatic estimation of velocities from GPS coordinate time series is becoming required to cope with the exponentially increasing flood of available data, but problems detectable to the human eye are often overlooked. This motivates us to find an automatic and accurate estimator of trend that is resistant to common problems such as step discontinuities, outliers, seasonality, skewness, and heteroscedasticity. Developed here, Median Interannual Difference Adjusted for Skewness (MIDAS) is a variant of the Theil-Sen median trend estimator, for which the ordinary version is the median of slopes vij = (xj-xi)/(tj-ti) computed between all data pairs i > j. For normally distributed data, Theil-Sen and least squares trend estimates are statistically identical, but unlike least squares, Theil-Sen is resistant to undetected data problems. To mitigate both seasonality and step discontinuities, MIDAS selects data pairs separated by 1 year. This condition is relaxed for time series with gaps so that all data are used. Slopes from data pairs spanning a step function produce one-sided outliers that can bias the median. To reduce bias, MIDAS removes outliers and recomputes the median. MIDAS also computes a robust and realistic estimate of trend uncertainty. Statistical tests using GPS data in the rigid North American plate interior show ±0.23 mm/yr root-mean-square (RMS) accuracy in horizontal velocity. In blind tests using synthetic data, MIDAS velocities have an RMS accuracy of ±0.33 mm/yr horizontal, ±1.1 mm/yr up, with a 5th percentile range smaller than all 20 automatic estimators tested. Considering its general nature, MIDAS has the potential for broader application in the geosciences.

  4. MIDAS robust trend estimator for accurate GPS station velocities without step detection

    PubMed Central

    Kreemer, Corné; Hammond, William C.; Gazeaux, Julien

    2016-01-01

    Abstract Automatic estimation of velocities from GPS coordinate time series is becoming required to cope with the exponentially increasing flood of available data, but problems detectable to the human eye are often overlooked. This motivates us to find an automatic and accurate estimator of trend that is resistant to common problems such as step discontinuities, outliers, seasonality, skewness, and heteroscedasticity. Developed here, Median Interannual Difference Adjusted for Skewness (MIDAS) is a variant of the Theil‐Sen median trend estimator, for which the ordinary version is the median of slopes vij = (xj–xi)/(tj–ti) computed between all data pairs i > j. For normally distributed data, Theil‐Sen and least squares trend estimates are statistically identical, but unlike least squares, Theil‐Sen is resistant to undetected data problems. To mitigate both seasonality and step discontinuities, MIDAS selects data pairs separated by 1 year. This condition is relaxed for time series with gaps so that all data are used. Slopes from data pairs spanning a step function produce one‐sided outliers that can bias the median. To reduce bias, MIDAS removes outliers and recomputes the median. MIDAS also computes a robust and realistic estimate of trend uncertainty. Statistical tests using GPS data in the rigid North American plate interior show ±0.23 mm/yr root‐mean‐square (RMS) accuracy in horizontal velocity. In blind tests using synthetic data, MIDAS velocities have an RMS accuracy of ±0.33 mm/yr horizontal, ±1.1 mm/yr up, with a 5th percentile range smaller than all 20 automatic estimators tested. Considering its general nature, MIDAS has the potential for broader application in the geosciences. PMID:27668140

  5. Accurate means of detecting and characterizing abnormal patterns of ventricular activation by phase image analysis

    SciTech Connect

    Botvinick, E.H.; Frais, M.A.; Shosa, D.W.; O'Connell, J.W.; Pacheco-Alvarez, J.A.; Scheinman, M.; Hattner, R.S.; Morady, F.; Faulkner, D.B.

    1982-08-01

    The ability of scintigraphic phase image analysis to characterize patterns of abnormal ventricular activation was investigated. The pattern of phase distribution and sequential phase changes over both right and left ventricular regions of interest were evaluated in 16 patients with normal electrical activation and wall motion and compared with those in 8 patients with an artificial pacemaker and 4 patients with sinus rhythm with the Wolff-Parkinson-White syndrome and delta waves. Normally, the site of earliest phase angle was seen at the base of the interventricular septum, with sequential change affecting the body of the septum and the cardiac apex and then spreading laterally to involve the body of both ventricles. The site of earliest phase angle was located at the apex of the right ventricle in seven patients with a right ventricular endocardial pacemaker and on the lateral left ventricular wall in one patient with a left ventricular epicardial pacemaker. In each case the site corresponded exactly to the position of the pacing electrode as seen on posteroanterior and left lateral chest X-ray films, and sequential phase changes spread from the initial focus to affect both ventricles. In each of the patients with the Wolff-Parkinson-White syndrome, the site of earliest ventricular phase angle was located, and it corresponded exactly to the site of the bypass tract as determined by endocardial mapping. In this way, four bypass pathways, two posterior left paraseptal, one left lateral and one right lateral, were correctly localized scintigraphically. On the basis of the sequence of mechanical contraction, phase image analysis provides an accurate noninvasive method of detecting abnormal foci of ventricular activation.

  6. Assessment of quinoxyfen phototransformation pathways by liquid chromatography coupled to accurate mass spectrometry.

    PubMed

    Ferri, Priscila; Ramil, María; Rodríguez, Isaac; Bergamasco, Rosângela; Vieira, Angélica Marquetotti Salcedo; Cela, Rafael

    2017-04-01

    Quinoxyfen has been recently identified as a priority hazardous substance in the field of the European water policy. In this work, its fate in aqueous samples and solid supports under UV and solar radiation is investigated. Diverse degradation experiments were carried out, at lab scale, using spiked aliquots of different aqueous matrices (ultrapure, treated wastewater and river water) irradiated at different wavelengths (λ = 254 nm, λ = 365 nm and solar light). Half-lives of quinoxyfen (2-26 min) depended on the wavelength and the intensity of radiation whilst the nature of the aqueous matrix did not play an important role in degradation kinetics. Moreover, experiments under solar radiation of doped silicone tubes were performed to simulate degradation when quinoxyfen is adsorbed on plant leaves or soil. As the compound is not completely mineralized, the identification of quinoxyfen transformation products (TPs) was performed by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) injection of different irradiated time aliquots. The full-fragment ion spectra, at different collision energies, allowed the elucidation of the chemical structure of TPs formed by hydroxylation, cyclization or cleavage reactions. Five out of seven identified TPs have not been reported previously. The ecotoxicity simulation by software (TEST and ECOSAR) for TPs revealed that some of them could cause harmful effects to organisms such as Daphnia magna or Fathead minnow in a similar extent to the precursor; moreover, the time course profiles of major TPs (TP1 and TP2) revealed a much higher resistance to further photodegradation than quinoxyfen. Graphical abstract Quinoxyfen phototransformation pathways.

  7. Ambient ionization-accurate mass spectrometry (AMI-AMS) for the identification of nonvisible set-off in food-contact materials.

    PubMed

    Bentayeb, Karim; Ackerman, Luke K; Begley, Timothy H

    2012-02-29

    Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization-accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic-mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 μg dm⁻², corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.

  8. Fourier Transform Mass Spectrometry and Nuclear Magnetic Resonance Analysis for the Rapid and Accurate Characterization of Hexacosanoylceramide.

    PubMed

    Ross, Charles W; Simonsick, William J; Bogusky, Michael J; Celikay, Recep W; Guare, James P; Newton, Randall C

    2016-06-28

    Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI), sheath flow electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) and high-field nuclear magnetic resonance (NMR) analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry.

  9. Fourier Transform Mass Spectrometry and Nuclear Magnetic Resonance Analysis for the Rapid and Accurate Characterization of Hexacosanoylceramide

    PubMed Central

    Ross, Charles W.; Simonsick, William J.; Bogusky, Michael J.; Celikay, Recep W.; Guare, James P.; Newton, Randall C.

    2016-01-01

    Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI), sheath flow electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) and high-field nuclear magnetic resonance (NMR) analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry. PMID:27367671

  10. Mammographic mass detection based on extended concentric morphology model

    NASA Astrophysics Data System (ADS)

    Li, Yanfeng; Chen, Houjin

    2014-01-01

    Breast cancer occurs with high frequency among women. In most cases, the main early signs appear as mass and calcification. Distinguishing masses from normal tissues is still a challenging work as mass varies with shapes, margins and sizes. In this paper, a novel method for mass detection in mammograms was presented. First, morphology operators are employed to locate mass candidates. Then anisotropic diffusion was applied to make mass region display better multiple concentric layers (MCL). Finally an extended concentric morphology model (ECMM) criterion combining MCL criterion and template matching was proposed to detect masses. This method was examined on 170 images from Digital Database for Screening Mammography (DDSM) database. The detection rate is 93.92% at 1.88 false positives per image (FPs/I), demonstrating the effectiveness of the proposed method.

  11. Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.

    PubMed

    Wood, Jessica L; Steiner, Robert R

    2011-06-01

    Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.

  12. Isotopic Ratio Outlier Analysis of the S. cerevisiae Metabolome Using Accurate Mass Gas Chromatography/Time-of-Flight Mass Spectrometry: A New Method for Discovery.

    PubMed

    Qiu, Yunping; Moir, Robyn; Willis, Ian; Beecher, Chris; Tsai, Yu-Hsuan; Garrett, Timothy J; Yost, Richard A; Kurland, Irwin J

    2016-03-01

    Isotopic ratio outlier analysis (IROA) is a (13)C metabolomics profiling method that eliminates sample to sample variance, discriminates against noise and artifacts, and improves identification of compounds, previously done with accurate mass liquid chromatography/mass spectrometry (LC/MS). This is the first report using IROA technology in combination with accurate mass gas chromatography/time-of-flight mass spectrometry (GC/TOF-MS), here used to examine the S. cerevisiae metabolome. S. cerevisiae was grown in YNB media, containing randomized 95% (13)C, or 5%(13)C glucose as the single carbon source, in order that the isotopomer pattern of all metabolites would mirror the labeled glucose. When these IROA experiments are combined, the abundance of the heavy isotopologues in the 5%(13)C extracts, or light isotopologues in the 95%(13)C extracts, follows the binomial distribution, showing mirrored peak pairs for the molecular ion. The mass difference between the (12)C monoisotopic and the (13)C monoisotopic equals the number of carbons in the molecules. The IROA-GC/MS protocol developed, using both chemical and electron ionization, extends the information acquired from the isotopic peak patterns for formulas generation. The process that can be formulated as an algorithm, in which the number of carbons, as well as the number of methoximations and silylations are used as search constraints. In electron impact (EI/IROA) spectra, the artifactual peaks are identified and easily removed, which has the potential to generate "clean" EI libraries. The combination of chemical ionization (CI) IROA and EI/IROA affords a metabolite identification procedure that enables the identification of coeluting metabolites, and allowed us to characterize 126 metabolites in the current study.

  13. Robust Algorithm for Alignment of Liquid Chromatography-Mass Spectrometry Analyses in an Accurate Mass and Time Tag Data Analysis Pipeline

    SciTech Connect

    Jaitly, Navdeep; Monroe, Matthew E.; Petyuk, Vladislav A.; Clauss, Therese RW; Adkins, Joshua N.; Smith, Richard D.

    2006-11-01

    Liquid chromatography coupled to mass spectrometry (LC-MS) and tandem mass spectrometry (LC-MS/MS) has become a standard technique for analyzing complex peptide mixtures to determine composition and relative quantity. Several high-throughput proteomics techniques attempt to combine complementary results from multiple LC-MS and LC-MS/MS analyses to provide more comprehensive and accurate results. To effectively collate results from these techniques, variations in mass and elution time measurements between related analyses are corrected by using algorithms designed to align the various types of results: LC-MS/MS vs. LC-MS/MS, LC-MS vs. LC-MS/MS, and LC-MS vs. LC-MS. Described herein are new algorithms referred to collectively as Liquid Chromatography based Mass Spectrometric Warping and Alignment of Retention times of Peptides (LCMSWARP) which use a dynamic elution time warping approach similar to traditional algorithms that correct variation in elution time using piecewise linear functions. LCMSWARP is compared to a linear alignment algorithm that assumes a linear transformation of elution time between analyses. LCMSWARP also corrects for drift in mass measurement accuracies that are often seen in an LC-MS analysis due to factors such as analyzer drift. We also describe the alignment of LC-MS results and provide examples of alignment of analyses from different chromatographic systems to demonstrate more complex transformation functions.

  14. Highly accurate isotope composition measurements by a miniature laser ablation mass spectrometer designed for in situ investigations on planetary surfaces

    NASA Astrophysics Data System (ADS)

    Riedo, A.; Meyer, S.; Heredia, B.; Neuland, M. B.; Bieler, A.; Tulej, M.; Leya, I.; Iakovleva, M.; Mezger, K.; Wurz, P.

    2013-10-01

    An experimental procedure for precise and accurate measurements of isotope abundances by a miniature laser ablation mass spectrometer for space research is described. The measurements were conducted on different untreated NIST standards and galena samples by applying pulsed UV laser radiation (266 nm, 3 ns and 20 Hz) for ablation, atomisation, and ionisation of the sample material. Mass spectra of released ions are measured by a reflectron-type time-of-flight mass analyser. A computer controlled performance optimiser was used to operate the system at maximum ion transmission and mass resolution. At optimal experimental conditions, the best relative accuracy and precision achieved for Pb isotope compositions are at the per mill level and were obtained in a range of applied laser irradiances and a defined number of accumulated spectra. A similar relative accuracy and precision was achieved in the study of Pb isotope compositions in terrestrial galena samples. The results for the galena samples are similar to those obtained with a thermal ionisation mass spectrometer (TIMS). The studies of the isotope composition of other elements yielded relative accuracy and precision at the per mill level too, with characteristic instrument parameters for each element. The relative accuracy and precision of the measurements is degrading with lower element/isotope concentration in a sample. For the elements with abundances below 100 ppm these values drop to the percent level. Depending on the isotopic abundances of Pb in minerals, 207Pb/206Pb ages with accuracy in the range of tens of millions of years can be achieved.

  15. Implications of (Less) Accurate Mass-Radius-Measurements for the Habitability of Extrasolar Terrestrial Planets: Why Do We Need PLATO?

    NASA Astrophysics Data System (ADS)

    Noack, L.; Wagner, F. W.; Plesa, A.-C.; Höning, D.; Sohl, F.; Breuer, D.; Rauer, H.

    2012-04-01

    Several space missions (CoRoT, Kepler and others) already provided promising candidates for terrestrial exoplanets (i.e. with masses less than about 10 Earth masses) and thereby triggered an exciting new research branch of planetary modelling to investigate the possible habitability of such planets. Earth analogues (low-mass planets with an Earth-like structure and composition) are likely to be found in the near future with new missions such as the proposed M3 mission PLATO. Planets may be more diverse in the universe than they are in the solar system. Our neighbouring planets in the habitable zone are all terrestrial by the means of being differentiated into an iron core, a silicate mantle and a crust. To reliably determine the interior structure of an exoplanet, measurements of mass and radius have to be sufficiently accurate (around +/-2% error allowed for the radius and +/-5% for the mass). An Earth-size planet with an Earth-like mass but an expected error of ~15% in mass for example may have either a Mercury-like, an Earth-like or a Moon-like (i.e. small iron core) structure [1,2]. Even though the atmospheric escape is not strongly influenced by the interior structure, the outgassing of volatiles and the likeliness of plate tectonics and an ongoing carbon-cycle may be very different. Our investigations show, that a planet with a small silicate mantle is less likely to shift into the plate-tectonics regime, cools faster (which may lead to the loss of a magnetic field after a short time) and outgasses less volatiles than a planet with the same mass but a large silicate mantle and small iron core. To be able to address the habitability of exoplanets, space missions such as PLATO, which can lead up to 2% accuracy in radius [3], are extremely important. Moreover, information about the occurrence of different planetary types helps us to better understand the formation of planetary systems and to further constrain the Drake's equation, which gives an estimate of the

  16. A fast and accurate method for detection of IBD shared haplotypes in genome-wide SNP data.

    PubMed

    Bjelland, Douglas W; Lingala, Uday; Patel, Piyush S; Jones, Matt; Keller, Matthew C

    2017-02-08

    Identical by descent (IBD) segments are used to understand a number of fundamental issues in genetics. IBD segments are typically detected using long stretches of identical alleles between haplotypes in phased, whole-genome SNP data. Phase or SNP call errors in genomic data can degrade accuracy of IBD detection and lead to false-positive/negative calls and to under/overextension of true IBD segments. Furthermore, the number of comparisons increases quadratically with sample size, requiring high computational efficiency. We developed a new IBD segment detection program, FISHR (Find IBD Shared Haplotypes Rapidly), in an attempt to accurately detect IBD segments and to better estimate their endpoints using an algorithm that is fast enough to be deployed on very large whole-genome SNP data sets. We compared the performance of FISHR to three leading IBD segment detection programs: GERMLINE, refined IBD, and HaploScore. Using simulated and real genomic sequence data, we show that FISHR is slightly more accurate than all programs at detecting long (>3 cm) IBD segments but slightly less accurate than refined IBD at detecting short (~1 cm) IBD segments. More centrally, FISHR outperforms all programs in determining the true endpoints of IBD segments, which is crucial for several applications of IBD information. FISHR takes two to three times longer than GERMLINE to run, whereas both GERMLINE and FISHR were orders of magnitude faster than refined IBD and HaploScore. Overall, FISHR provides accurate IBD detection in unrelated individuals and is computationally efficient enough to be utilized on large SNP data sets >60 000 individuals.European Journal of Human Genetics advance online publication, 8 February 2017; doi:10.1038/ejhg.2017.6.

  17. Accurate determination of peptide phosphorylation stoichiometry via automated diagonal capillary electrophoresis coupled with mass spectrometry: proof of principle.

    PubMed

    Mou, Si; Sun, Liangliang; Dovichi, Norman J

    2013-11-19

    While reversible protein phosphorylation plays an important role in many cellular processes, simple and reliable measurement of the stoichiometry of phosphorylation can be challenging. This measurement is confounded by differences in the ionization efficiency of phosphorylated and unphosphorylated sites during analysis by mass spectrometry. Here, we demonstrate diagonal capillary electrophoresis-mass spectrometry for the accurate determination of this stoichiometry. Diagonal capillary electrophoresis is a two-dimensional separation method that incorporates an immobilized alkaline phosphatase microreactor at the distal end of the first capillary and employs identical electrophoretic separation modes in both dimensions. The first dimension is used to separate a mixture of the phosphorylated and unphosphorylated forms of a peptide. Fractions are parked in the reactor where they undergo complete dephosphorylation. The products are then periodically transferred to the second capillary and analyzed by mass spectrometry (MS). Because the phosphorylated and unphosphorylated forms differ in charge, they are well resolved in the first dimension separation. Because the unphosphorylated and dephosphorylated peptides are identical, there is no bias in ionization efficiency, and phosphorylation stoichiometry can be determined by the ratio of the signal of the two forms. A calibration curve was generated from mixtures of a phosphorylated standard peptide and its unphosphorylated form, prepared in a bovine serum albumin tryptic digest. This proof of principle experiment demonstrated a linear response across nearly 2 orders of magnitude in stoichiometry.

  18. Detecting Children's Lies: Are Parents Accurate Judges of Their Own Children's Lies?

    ERIC Educational Resources Information Center

    Talwar, Victoria; Renaud, Sarah-Jane; Conway, Lauryn

    2015-01-01

    The current study investigated whether parents are accurate judges of their own children's lie-telling behavior. Participants included 250 mother-child dyads. Children were between three and 11 years of age. A temptation resistance paradigm was used to elicit a minor transgressive behavior from the children involving peeking at a forbidden toy and…

  19. Incentives Increase Participation in Mass Dog Rabies Vaccination Clinics and Methods of Coverage Estimation Are Assessed to Be Accurate

    PubMed Central

    Steinmetz, Melissa; Czupryna, Anna; Bigambo, Machunde; Mzimbiri, Imam; Powell, George; Gwakisa, Paul

    2015-01-01

    In this study we show that incentives (dog collars and owner wristbands) are effective at increasing owner participation in mass dog rabies vaccination clinics and we conclude that household questionnaire surveys and the mark-re-sight (transect survey) method for estimating post-vaccination coverage are accurate when all dogs, including puppies, are included. Incentives were distributed during central-point rabies vaccination clinics in northern Tanzania to quantify their effect on owner participation. In villages where incentives were handed out participation increased, with an average of 34 more dogs being vaccinated. Through economies of scale, this represents a reduction in the cost-per-dog of $0.47. This represents the price-threshold under which the cost of the incentive used must fall to be economically viable. Additionally, vaccination coverage levels were determined in ten villages through the gold-standard village-wide census technique, as well as through two cheaper and quicker methods (randomized household questionnaire and the transect survey). Cost data were also collected. Both non-gold standard methods were found to be accurate when puppies were included in the calculations, although the transect survey and the household questionnaire survey over- and under-estimated the coverage respectively. Given that additional demographic data can be collected through the household questionnaire survey, and that its estimate of coverage is more conservative, we recommend this method. Despite the use of incentives the average vaccination coverage was below the 70% threshold for eliminating rabies. We discuss the reasons and suggest solutions to improve coverage. Given recent international targets to eliminate rabies, this study provides valuable and timely data to help improve mass dog vaccination programs in Africa and elsewhere. PMID:26633821

  20. Incentives Increase Participation in Mass Dog Rabies Vaccination Clinics and Methods of Coverage Estimation Are Assessed to Be Accurate.

    PubMed

    Minyoo, Abel B; Steinmetz, Melissa; Czupryna, Anna; Bigambo, Machunde; Mzimbiri, Imam; Powell, George; Gwakisa, Paul; Lankester, Felix

    2015-12-01

    In this study we show that incentives (dog collars and owner wristbands) are effective at increasing owner participation in mass dog rabies vaccination clinics and we conclude that household questionnaire surveys and the mark-re-sight (transect survey) method for estimating post-vaccination coverage are accurate when all dogs, including puppies, are included. Incentives were distributed during central-point rabies vaccination clinics in northern Tanzania to quantify their effect on owner participation. In villages where incentives were handed out participation increased, with an average of 34 more dogs being vaccinated. Through economies of scale, this represents a reduction in the cost-per-dog of $0.47. This represents the price-threshold under which the cost of the incentive used must fall to be economically viable. Additionally, vaccination coverage levels were determined in ten villages through the gold-standard village-wide census technique, as well as through two cheaper and quicker methods (randomized household questionnaire and the transect survey). Cost data were also collected. Both non-gold standard methods were found to be accurate when puppies were included in the calculations, although the transect survey and the household questionnaire survey over- and under-estimated the coverage respectively. Given that additional demographic data can be collected through the household questionnaire survey, and that its estimate of coverage is more conservative, we recommend this method. Despite the use of incentives the average vaccination coverage was below the 70% threshold for eliminating rabies. We discuss the reasons and suggest solutions to improve coverage. Given recent international targets to eliminate rabies, this study provides valuable and timely data to help improve mass dog vaccination programs in Africa and elsewhere.

  1. Detecting Mass Loss in Main Belt Asteroids

    NASA Astrophysics Data System (ADS)

    Sandberg, Erik; Rajagopal, Jayadev; Ridgway, Susan E.; Kotulla, Ralf C.; Valdes, Francisco; Allen, Lori

    2016-01-01

    Sandberg, E., Rajagopal, J., Ridgway, S.E, Kotulla, R., Valdes, F., Allen, L.The Dark Energy Camera (DECam) on the 4m Blanco telescope at the Cerro Tololo Inter-American Observatory (CTIO) is being used for a survey of Near Earth Objects (NEOs). Here we attempt to identify mass loss in main belt asteroids (MBAs) from these data. A primary motivation is to understand the role that asteroids may play in supplying dust and gas for debris disks. This work focuses on finding methods to automatically pick out asteroids that have qualities indicating possible mass loss. Two methods were chosen: looking for flux above a certain threshold in the asteroid's radial profile, and comparing its PSF to that of a point source. After sifting through 490 asteroids, several have passed these tests and should be followed up with a more rigorous analysis.Sandberg was supported by the NOAO/KPNO Research Experience for Undergraduates (REU) Program which is funded by the National Science Foundation Research Experiences for Undergraduates Program (AST-1262829)

  2. The Effect of Starspots on Accurate Radius Determination of the Low-Mass Double-Lined Eclipsing Binary Gu Boo

    NASA Astrophysics Data System (ADS)

    Windmiller, G.; Orosz, J. A.; Etzel, P. B.

    2010-04-01

    GU Boo is one of only a relatively small number of well-studied double-lined eclipsing binaries that contain low-mass stars. López-Morales & Ribas present a comprehensive analysis of multi-color light and radial velocity curves for this system. The GU Boo light curves presented by López-Morales & Ribas had substantial asymmetries, which were attributed to large spots. In spite of the asymmetry, López-Morales & Ribas derived masses and radii accurate to sime2%. We obtained additional photometry of GU Boo using both a CCD and a single-channel photometer and modeled the light curves with the ELC software to determine if the large spots in the light curves give rise to systematic errors at the few percent level. We also modeled the original light curves from the work of López-Morales & Ribas using models with and without spots. We derived a radius of the primary of 0.6329 ± 0.0026 R sun, 0.6413 ± 0.0049 R sun, and 0.6373 ± 0.0029 R sun from the CCD, photoelectric, and López-Morales & Ribas data, respectively. Each of these measurements agrees with the value reported by López-Morales & Ribas (R 1 = 0.623 ± 0.016 R sun) at the level of ≈2%. In addition, the spread in these values is ≈1%-2% from the mean. For the secondary, we derive radii of 0.6074 ± 0.0035 R sun, 0.5944 ± 0.0069 R sun, and 0.5976 ± 0.0059 R sun from the three respective data sets. The López-Morales & Ribas value is R 2 = 0.620 ± 0.020 R sun, which is ≈2%-3% larger than each of the three values we found. The spread in these values is ≈2% from the mean. The systematic difference between our three determinations of the secondary radius and that of López-Morales & Ribas might be attributed to differences in the modeling process and codes used. Our own fits suggest that, for GU Boo at least, using accurate spot modeling of a single set of multi-color light curves results in radii determinations accurate at the ≈2% level.

  3. Hybrid quadrupole-orbitrap mass spectrometry analysis with accurate-mass database and parallel reaction monitoring for high-throughput screening and quantification of multi-xenobiotics in honey.

    PubMed

    Li, Yi; Zhang, Jinzhen; Jin, Yue; Wang, Lin; Zhao, Wen; Zhang, Wenwen; Zhai, Lifei; Zhang, Yaping; Zhang, Yongxin; Zhou, Jinhui

    2016-01-15

    This study reports a rapid, automated screening and quantification method for the determination of multi-xenobiotic residues in honey using ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Orbitrap) with a user-built accurate-mass database plus parallel reaction monitoring (PRM). The database contains multi-xenobiotic information including formulas, adduct types, theoretical exact mass and retention time, characteristic fragment ions, ion ratios, and mass accuracies. A simple sample preparation method was developed to reduce xenobiotic loss in the honey samples. The screening method was validated based on retention time deviation, mass accuracy via full scan-data-dependent MS/MS (full scan-ddMS2), multi-isotope ratio, characteristic ion ratio, sensitivity, and positive/negative switching performance between the spiked sample and corresponding standard solution. The quantification method based on the PRM mode is a promising new quantitative tool which we validated in terms of selectivity, linearity, recovery (accuracy), repeatability (precision), decision limit (CCα), detection capability (CCβ), matrix effects, and carry-over. The optimized methods proposed in this study enable the automated screening and quantification of 157 compounds in less than 15 min in honey. The results of this study, as they represent a convenient protocol for large-scale screening and quantification, also provide a research approach for analysis of various contaminants in other matrices.

  4. New Photometry and Spectra of AB Doradus C: An Accurate Mass Determination of a Young Low-Mass Object with Theoretical Evolutionary Tracks

    NASA Astrophysics Data System (ADS)

    Close, Laird M.; Thatte, Niranjan; Nielsen, Eric L.; Abuter, Roberto; Clarke, Fraser; Tecza, Matthias

    2007-08-01

    We present new photometric and spectroscopic measurements for the unique, young, low-mass evolutionary track calibrator AB Dor C. While the new Ks photometry is similar to that we have previously published, the spectral type is found to be much earlier. Based on new H and K IFS spectra of AB Dor C from Thatte et al. (Paper I), we adopt a spectral type of M5.5+/-1.0 for AB Dor C. This is considerably earlier than the M8+/-1 previously estimated by Close et al. and Nielsen et al. yet is consistent with the M6+/-1 independently derived by Luhman & Potter. However, the spectrum presented in Paper I and analyzed here is a significant improvement over any previous spectrum of AB Dor C. We also present new astrometry for the system, which further supports a 0.090+/-0.005 Msolar mass for the system. Once armed with an accurate spectrum and Ks flux, we find L=0.0021+/-0.0005 Lsolar and Teff=2925+170-145 K for AB Dor C. These values are consistent with a ~75 Myr, 0.090+/-0.005 Msolar object like AB Dor C according to the DUSTY evolutionary tracks. Hence, masses can be estimated from the H-R diagram with the DUSTY tracks for young low-mass objects such as AB Dor C. However, we cautiously note that underestimates of the mass from the tracks can occur if one lacks a proper (continuum-preserved) spectrum or is relying on near-infrared fluxes alone. Based on observations made with ESO telescopes at the Paranal Observatories under program 276.C-5013.

  5. A Proteomic Study of the HUPO Plasma Proteome Project's Pilot Samples using an Accurate Mass and Time Tag Strategy

    SciTech Connect

    Adkins, Joshua N.; Monroe, Matthew E.; Auberry, Kenneth J.; Shen, Yufeng; Jacobs, Jon M.; Camp, David G.; Vitzthum, Frank; Rodland, Karin D.; Zangar, Richard C.; Smith, Richard D.; Pounds, Joel G.

    2005-08-01

    Characterization of the human blood plasma proteome is critical to the discovery of routinely useful clinical biomarkers. We used an Accurate Mass and Time (AMT) tag strategy with high-resolution mass accuracy capillary liquid chromatography Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (cLC-FTICR MS) to perform a global proteomic analysis of pilot study samples as part of the HUPO Plasma Proteome Project. HUPO reference serum and citrated plasma samples from African Americans, Asian Americans, and Caucasian Americans were analyzed, in addition to a Pacific Northwest National Laboratory reference serum and plasma. The AMT tag strategy allowed us to leverage two previously published “shotgun” proteomics experiments to perform global analyses on these samples in triplicate in less than 4 days total analysis time. A total of 722 (22% with multiple peptide identifications) International Protein Index (IPI) redundant proteins, or 377 protein families by ProteinProphet, were identified over the 6 individual HUPO serum and plasma samples. The samples yielded a similar number of identified redundant proteins in the plasma samples (average 446 +/-23) as found in the serum samples (average 440+/-20). These proteins were identified by an average of 956+/-35 unique peptides in plasma and 930+/-11 unique peptides in serum. In addition to this high-throughput analysis, the AMT tag approach was used with a Z-score normalization to compare relative protein abundances. This analysis highlighted both known differences in serum and citrated plasma such as fibrinogens, and reproducible differences in peptide abundances from proteins such as soluble activin receptor-like kinase 7b and glycoprotein m6b. The AMT tag strategy not only improved our sample throughput, and provided a basis for estimated quantitation.

  6. Molecular Detection of Foodborne Pathogens: A Rapid and Accurate Answer to Food Safety.

    PubMed

    Mangal, Manisha; Bansal, Sangita; Sharma, Satish K; Gupta, Ram K

    2016-07-03

    Food safety is a global health concern. For the prevention and recognition of problems related to health and safety, detection of foodborne pathogen is of utmost importance at all levels of food production chain. For several decades, a lot of research has been targeted at the development of rapid methodology as reducing the time needed to complete pathogen detection tests has been the primary goal of food microbiologists. With the result, food microbiology laboratories now have a wide array of detection methods and automated technologies such as enzyme immunoassay, polymerase chain reaction, and microarrays, which can cut test times considerably. Nucleic acid amplification strategies and advances in amplicon detection methodologies have been the key factors in the progress of molecular microbiology. A comprehensive literature survey has been carried out to give an overview in the field of foodborne pathogen detection. In this paper, we describe the conventional methods, as well as recent developments in food pathogen detection, identification, and quantification, with a major emphasis on molecular detection methods.

  7. Towards Accurate Node-Based Detection of P2P Botnets

    PubMed Central

    2014-01-01

    Botnets are a serious security threat to the current Internet infrastructure. In this paper, we propose a novel direction for P2P botnet detection called node-based detection. This approach focuses on the network characteristics of individual nodes. Based on our model, we examine node's flows and extract the useful features over a given time period. We have tested our approach on real-life data sets and achieved detection rates of 99-100% and low false positives rates of 0–2%. Comparison with other similar approaches on the same data sets shows that our approach outperforms the existing approaches. PMID:25089287

  8. Current cardiac imaging techniques for detection of left ventricular mass

    PubMed Central

    2010-01-01

    Estimation of left ventricular (LV) mass has both prognostic and therapeutic value independent of traditional risk factors. Unfortunately, LV mass evaluation has been underestimated in clinical practice. Assessment of LV mass can be performed by a number of imaging modalities. Despite inherent limitations, conventional echocardiography has fundamentally been established as most widely used diagnostic tool. 3-dimensional echocardiography (3DE) is now feasible, fast and accurate for LV mass evaluation. 3DE is also superior to conventional echocardiography in terms of LV mass assessment, especially in patients with abnormal LV geometry. Cardiovascular magnetic resonance (CMR) and cardiovascular computed tomography (CCT) are currently performed for LV mass assessment and also do not depend on cardiac geometry and display 3-dimensional data, as well. Therefore, CMR is being increasingly employed and is at the present standard of reference in the clinical setting. Although each method demonstrates advantages over another, there are also disadvantages to receive attention. Diagnostic accuracy of methods will also be increased with the introduction of more advanced systems. It is also likely that in the coming years new and more accurate diagnostic tests will become available. In particular, CMR and CCT have been intersecting hot topic between cardiology and radiology clinics. Thus, good communication and collaboration between two specialties is required for selection of an appropriate test. PMID:20515461

  9. Hydrogen sulfide detection based on reflection: from a poison test approach of ancient China to single-cell accurate localization.

    PubMed

    Kong, Hao; Ma, Zhuoran; Wang, Song; Gong, Xiaoyun; Zhang, Sichun; Zhang, Xinrong

    2014-08-05

    With the inspiration of an ancient Chinese poison test approach, we report a rapid hydrogen sulfide detection strategy in specific areas of live cells using silver needles with good spatial resolution of 2 × 2 μm(2). Besides the accurate-localization ability, this reflection-based strategy also has attractive merits of convenience and robust response when free pretreatment and short detection time are concerned. The success of endogenous H2S level evaluation in cellular cytoplasm and nuclear of human A549 cells promises the application potential of our strategy in scientific research and medical diagnosis.

  10. An accurate heart beat detection method in the EKG recorded in fMRI system.

    PubMed

    Oh, Sung Suk; Chung, Jun-Young; Yoon, Hyo Woon; Park, HyunWook

    2007-01-01

    The simultaneous recording of functional magnetic resonance imaging (fMRI) and electroencephalogram (EEG) provides an efficient signal for the high spatiotemporal brain mapping because each modality provides complementary information. The peak detection in the EEG signal measured in the MR scanner is necessary for removal of the ballistocardiac artifact. Especially, it would be affected by the quality of the EKG signal and the variation of the heart beat rate. Therefore, we propose the peak detection method using a K-teager energy operator (K-TEO) as well as further refinement processes in order to detect precise peaks. We applied this technique to the analysis of simulation waves with random noise and abrupt heat beat changes.

  11. Accurate detection and complete tracking of large populations of features in three dimensions.

    PubMed

    Gao, Yongxiang; Kilfoil, Maria L

    2009-03-16

    Localization and tracking of colloidal particles in microscopy images generates the raw data necessary to understand both the dynamics and the mechanical properties of colloidal model systems. Yet, despite the obvious importance of analyzing particle movement in three dimensions (3D), accurate sub-pixel localization of the particles in 3D has received little attention so far. Tracking has been limited by the choice of whether to track all particles in a low-density system, or whether to neglect the most mobile fraction of particles in a dense system. Moreover, assertions are frequently made on the accuracies of methods for locating particles in colloid physics and in biology, and the field of particle locating and tracking can be well-served by quantitative comparison of relative performances. We show that by iterating sub-pixel localization in three dimensions, the centers of particles can be more accurately located in three-dimensions (3D) than with all previous methods by at least half an order of magnitude. In addition, we show that implementing a multi-pass deflation approach, greater fidelity can be achieved in reconstruction of trajectories, once particle positions are known. In general, all future work must defend the accuracy of the particle tracks to be considered reliable. Specifically, other researchers must use the methods presented here (or an alternative whose accuracy can be substantianted) in order for the entire investigation to be considered legitimate, if the basis of the physical argument (in colloids, biology, or any other application) depends on quantitative accuracy of particle positions. We compare our algorithms to other recent and related advances in location/tracking in colloids and in biology, and discuss the relative strengths and weaknesses of all the algorithms in various situations. We carry out performance tests directly comparing the accuracy of our and other 3D methods with simulated data for both location and tracking, and in

  12. Accurate and reproducible detection of proteins in water using an extended-gate type organic transistor biosensor

    NASA Astrophysics Data System (ADS)

    Minamiki, Tsukuru; Minami, Tsuyoshi; Kurita, Ryoji; Niwa, Osamu; Wakida, Shin-ichi; Fukuda, Kenjiro; Kumaki, Daisuke; Tokito, Shizuo

    2014-06-01

    In this Letter, we describe an accurate antibody detection method using a fabricated extended-gate type organic field-effect-transistor (OFET), which can be operated at below 3 V. The protein-sensing portion of the designed device is the gate electrode functionalized with streptavidin. Streptavidin possesses high molecular recognition ability for biotin, which specifically allows for the detection of biotinylated proteins. Here, we attempted to detect biotinylated immunoglobulin G (IgG) and observed a shift of threshold voltage of the OFET upon the addition of the antibody in an aqueous solution with a competing bovine serum albumin interferent. The detection limit for the biotinylated IgG was 8 nM, which indicates the potential utility of the designed device in healthcare applications.

  13. The modified correlation mass method for detecting neutrino mass from astrophysical neutrino bursts

    NASA Technical Reports Server (NTRS)

    Chan, Kwing L.; Chiu, Hong-Yee; Kondo, Yoji

    1989-01-01

    A modified correlation mass method for calculating the value of a possible neutrino mass from neutrino bursts of astrophysical origin is proposed which can more sensitively detect small neutrino masses than previous methods. Application of the method to the neutrinos detected from SN 1987 A yields a value of 3.6 + or - 0.3 eV for the neutrino mass energy with a confidence level of 97 percent. Assuming a neutrino mass of 3.6 eV, and transforming all of the detected neutrino events back to the point of emission, it is shown that bursts are composed of a short initial pulse (which lasts for about 0.1 sec and contains 30-40 percent of the total neutrinos) and an extended emission lasting for about 10 sec.

  14. The use of in vitro technologies coupled with high resolution accurate mass LC-MS for studying drug metabolism in equine drug surveillance.

    PubMed

    Scarth, James P; Spencer, Holly A; Timbers, Sarah E; Hudson, Simon C; Hillyer, Lynn L

    2010-01-01

    The detection of drug abuse in horseracing often requires knowledge of drug metabolism, especially if urine is the matrix of choice. In this study, equine liver/lung microsomes/S9 tissue fractions were used to study the phase I metabolism of eight drugs of relevance to equine drug surveillance (acepromazine, azaperone, celecoxib, fentanyl, fluphenazine, mepivacaine, methylphenidate and tripelennamine). In vitro samples were analyzed qualitatively alongside samples originating from in vivo administrations using LC-MS on a high resolution accurate mass Thermo Orbitrap Discovery instrument and by LC-MS/MS on an Applied Biosystems Sciex 5500 Q Trap.Using high resolution accurate mass full-scan analysis on the Orbitrap, the in vitro systems were found to generate at least the two most abundant phase I metabolites observed in vitro for all eight drugs studied. In the majority of cases, in vitro experiments were also able to generate the minor in vivo metabolites and sometimes metabolites that were only observed in vitro. More detailed analyses of fentanyl incubates using LC-MS/MS showed that it was possible to generate good quality spectra from the metabolites generated in vitro. These data support the suggestion of using in vitro incubates as metabolite reference material in place of in vivo post-administration samples in accordance with new qualitative identification guidelines in the 2009 International Laboratory Accreditation Cooperation-G7 (ILAC-G7) document.In summary, the in vitro and in vivo phase I metabolism results reported herein compare well and demonstrate the potential of in vitro studies to compliment, refine and reduce the existing equine in vivo paradigm.

  15. How Accurately Can Your Wrist Device Recognize Daily Activities and Detect Falls?

    PubMed Central

    Gjoreski, Martin; Gjoreski, Hristijan; Luštrek, Mitja; Gams, Matjaž

    2016-01-01

    Although wearable accelerometers can successfully recognize activities and detect falls, their adoption in real life is low because users do not want to wear additional devices. A possible solution is an accelerometer inside a wrist device/smartwatch. However, wrist placement might perform poorly in terms of accuracy due to frequent random movements of the hand. In this paper we perform a thorough, large-scale evaluation of methods for activity recognition and fall detection on four datasets. On the first two we showed that the left wrist performs better compared to the dominant right one, and also better compared to the elbow and the chest, but worse compared to the ankle, knee and belt. On the third (Opportunity) dataset, our method outperformed the related work, indicating that our feature-preprocessing creates better input data. And finally, on a real-life unlabeled dataset the recognized activities captured the subject’s daily rhythm and activities. Our fall-detection method detected all of the fast falls and minimized the false positives, achieving 85% accuracy on the first dataset. Because the other datasets did not contain fall events, only false positives were evaluated, resulting in 9 for the second, 1 for the third and 15 for the real-life dataset (57 days data). PMID:27258282

  16. How Accurately Can Your Wrist Device Recognize Daily Activities and Detect Falls?

    PubMed

    Gjoreski, Martin; Gjoreski, Hristijan; Luštrek, Mitja; Gams, Matjaž

    2016-06-01

    Although wearable accelerometers can successfully recognize activities and detect falls, their adoption in real life is low because users do not want to wear additional devices. A possible solution is an accelerometer inside a wrist device/smartwatch. However, wrist placement might perform poorly in terms of accuracy due to frequent random movements of the hand. In this paper we perform a thorough, large-scale evaluation of methods for activity recognition and fall detection on four datasets. On the first two we showed that the left wrist performs better compared to the dominant right one, and also better compared to the elbow and the chest, but worse compared to the ankle, knee and belt. On the third (Opportunity) dataset, our method outperformed the related work, indicating that our feature-preprocessing creates better input data. And finally, on a real-life unlabeled dataset the recognized activities captured the subject's daily rhythm and activities. Our fall-detection method detected all of the fast falls and minimized the false positives, achieving 85% accuracy on the first dataset. Because the other datasets did not contain fall events, only false positives were evaluated, resulting in 9 for the second, 1 for the third and 15 for the real-life dataset (57 days data).

  17. Rapid Screening of Bovine Milk Oligosaccharides in a Whey Permeate Product and Domestic Animal Milks by Accurate Mass Database and Tandem Mass Spectral Library.

    PubMed

    Lee, Hyeyoung; Cuthbertson, Daniel J; Otter, Don E; Barile, Daniela

    2016-08-17

    A bovine milk oligosaccharide (BMO) library, prepared from cow colostrum, with 34 structures was generated and used to rapidly screen oligosaccharides in domestic animal milks and a whey permeate powder. The novel library was entered into a custom Personal Compound Database and Library (PCDL) and included accurate mass, retention time, and tandem mass spectra. Oligosaccharides in minute-sized samples were separated using nanoliquid chromatography (nanoLC) coupled to a high resolution and sensitive quadrupole-Time of Flight (Q-ToF) MS system. Using the PCDL, 18 oligosaccharides were found in a BMO-enriched product obtained from whey permeate processing. The usefulness of the analytical system and BMO library was further validated using milks from domestic sheep and buffaloes. Through BMO PCDL searching, 15 and 13 oligosaccharides in the BMO library were assigned in sheep and buffalo milks, respectively, thus demonstrating significant overlap between oligosaccharides in bovine (cow and buffalo) and ovine (sheep) milks. This method was shown to be an efficient, reliable, and rapid tool to identify oligosaccharide structures using automated spectral matching.

  18. Accurate quantification of creatinine in serum by coupling a measurement standard to extractive electrospray ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Huang, Keke; Li, Ming; Li, Hongmei; Li, Mengwan; Jiang, You; Fang, Xiang

    2016-01-01

    Ambient ionization (AI) techniques have been widely used in chemistry, medicine, material science, environmental science, forensic science. AI takes advantage of direct desorption/ionization of chemicals in raw samples under ambient environmental conditions with minimal or no sample preparation. However, its quantitative accuracy is restricted by matrix effects during the ionization process. To improve the quantitative accuracy of AI, a matrix reference material, which is a particular form of measurement standard, was coupled to an AI technique in this study. Consequently the analyte concentration in a complex matrix can be easily quantified with high accuracy. As a demonstration, this novel method was applied for the accurate quantification of creatinine in serum by using extractive electrospray ionization (EESI) mass spectrometry. Over the concentration range investigated (0.166 ~ 1.617 μg/mL), a calibration curve was obtained with a satisfactory linearity (R2 = 0.994), and acceptable relative standard deviations (RSD) of 4.6 ~ 8.0% (n = 6). Finally, the creatinine concentration value of a serum sample was determined to be 36.18 ± 1.08 μg/mL, which is in excellent agreement with the certified value of 35.16 ± 0.39 μg/mL.

  19. Screening and characterization of reactive compounds with in vitro peptide-trapping and liquid chromatography/high-resolution accurate mass spectrometry.

    PubMed

    Wei, Cong; Chupak, Louis S; Philip, Thomas; Johnson, Benjamin M; Gentles, Robert; Drexler, Dieter M

    2014-02-01

    The present study describes a novel methodology for the detection of reactive compounds using in vitro peptide-trapping and liquid chromatography-high-resolution accurate mass spectrometry (LC-HRMS). Compounds that contain electrophilic groups can covalently bind to nucleophilic moieties in proteins and form adducts. Such adducts are thought to be associated with drug-mediated toxicity and therefore represent potential liabilities in drug discovery programs. In addition, reactive compounds identified in biological screening can be associated with data that can be misinterpreted if the reactive nature of the compound is not appreciated. In this work, to facilitate the triage of hits from high-throughput screening (HTS), a novel assay was developed to monitor the formation of covalent peptide adducts by compounds suspected to be chemically reactive. The assay consists of in vitro incubations of test compounds (under conditions of physiological pH) with synthetically prepared peptides presenting a variety of nucleophilic moieties such as cysteine, lysine, histidine, arginine, serine, and tyrosine. Reaction mixtures were analyzed using full-scan LC-HRMS, the data were interrogated using postacquisition data mining, and modified amino acids were identified by subsequent LC-HRMS/mass spectrometry. The study demonstrated that in vitro nucleophilic peptide trapping followed by LC-HRMS analysis is a useful approach for screening of intrinsically reactive compounds identified from HTS exercises, which are then removed from follow-up processes, thus obviating the generation of data from biochemical activity assays.

  20. Highly-accurate metabolomic detection of early-stage ovarian cancer

    PubMed Central

    Gaul, David A.; Mezencev, Roman; Long, Tran Q.; Jones, Christina M.; Benigno, Benedict B.; Gray, Alexander; Fernández, Facundo M.; McDonald, John F.

    2015-01-01

    High performance mass spectrometry was employed to interrogate the serum metabolome of early-stage ovarian cancer (OC) patients and age-matched control women. The resulting spectral features were used to establish a linear support vector machine (SVM) model of sixteen diagnostic metabolites that are able to identify early-stage OC with 100% accuracy in our patient cohort. The results provide evidence for the importance of lipid and fatty acid metabolism in OC and serve as the foundation of a clinically significant diagnostic test. PMID:26573008

  1. Determination of the presence or absence of sulfur materials in drywall using direct analysis in real time in conjunction with an accurate-mass time-of-flight mass spectrometer.

    PubMed

    Curtis, Matthew E; Jones, Patrick R; Sparkman, O David; Cody, Robert B

    2009-11-01

    Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.

  2. RT-PCR is a more accurate diagnostic tool for detection of BCR-ABL rearrangement

    SciTech Connect

    Zehnbauer, B.A.; Allen, A.P.; McGrath, S.D.

    1994-09-01

    Detection of the Philadelphia chromosome (Ph1) or genomic Southern hybridization for clonal gene rearrangement (GSH-R) has provided very specific identification of BCR-ABL gene rearrangement. Reverse transcriptase-polymerase chain reaction (RT-PCR) is diagnostic for patterns of BCR-ABL expression which are undetected by GSH-R and/or Ph1 and provides increased sensitivity both at diagnosis and in detection of minimal residual leukemia. Fifty-three specimens (of 150 tested from 119 consecutive leukemia patients) were RT-PCR positive for BCR-ABL gene expression confirmed by hybridization of PCR products with b{sub 3}a{sub 2}, b{sub 2}a{sub 2}, or e{sub 1}a{sub 2} junction-specific oligonucleotides. In 6 cases of CML with GSH-R{sup {minus}}at diagnosis, RT-PCR provided specific BCR-ABL identification. Deletion of BCR regions, low mitotic index, or e{sub 1}a{sub 2} expression caused failure to detect GSH-R or Ph1 translocation.

  3. Magnetic resonance elastography is accurate in detecting advanced fibrosis in autoimmune hepatitis

    PubMed Central

    Wang, Jin; Malik, Neera; Yin, Meng; Smyrk, Thomas C; Czaja, Albert J; Ehman, Richard L; Venkatesh, Sudhakar K

    2017-01-01

    AIM To assess the value of magnetic resonance elastography (MRE) in detecting advanced fibrosis/cirrhosis in autoimmune hepatitis (AIH). METHODS In this retrospective study, 36 patients (19 treated and 17 untreated) with histologically confirmed AIH and liver biopsy performed within 3 mo of MRE were identified at a tertiary care referral center. Liver stiffness (LS) with MRE was calculated by a radiologist, and inflammation grade and fibrosis stage in liver biopsy was assessed by a pathologist in a blinded fashion. Two radiologists evaluated morphological features of cirrhosis on conventional magnetic resonance imaging (MRI). Accuracy of MRE was compared to laboratory markers and MRI for detection of advanced fibrosis/cirrhosis. RESULTS Liver fibrosis stages of 0, 1, 2, 3 and 4 were present in 4, 6, 7, 6 and 13 patients respectively. There were no significant differences in distribution of fibrosis stage and inflammation grade between treated and untreated patient groups. LS with MRE demonstrated stronger correlation with liver fibrosis stage in comparison to laboratory markers for chronic liver disease (r = 0.88 vs -0.48-0.70). A trend of decreased mean LS in treated patients compared to untreated patients was observed (3.7 kPa vs 3.84 kPa) but was not statistically significant. MRE had an accuracy/sensitivity/specificity/positive predictive value/negative predictive value of 0.97/90%/100%/100%/90% and 0.98/92.3%/96%/92.3%/96% for detection of advanced fibrosis and cirrhosis, respectively. The performance of MRE was significantly better than laboratory tests for detection of advanced fibrosis (0.97 vs 0.53-0.80, P < 0.01), and cirrhosis (0.98 vs 0.58-0.80, P < 0.01) and better than conventional MRI for diagnosis of cirrhosis (0.98 vs 0.78, P = 0.002). CONCLUSION MRE is a promising modality for detection of advanced fibrosis and cirrhosis in patients with AIH with superior diagnostic accuracy compared to laboratory assessment and MRI. PMID:28223730

  4. Avoiding incidental predation by mammalian herbivores: accurate detection and efficient response in aphids.

    PubMed

    Gish, Moshe; Dafni, Amots; Inbar, Moshe

    2011-09-01

    Mammalian herbivores eat plants that may also provide food and shelter for insects. The direct trophic effect of the browsing and grazing of mammalian herbivory on insects, which is probably prevalent in terrestrial ecosystems, has been mostly neglected by ecologists. We examined how the aphid Uroleucon sonchi L. deals with the danger of incidental predation by mammalian herbivores. We found that most (76%) of the aphids in a colony survive the ingestion of the plant by a feeding herbivore. They do so by sensing the combination of heat and humidity in the herbivore's breath and immediately dropping off the plant in large numbers. Their ability to sense the herbivore's breath or their tendency to drop off the plant weakens as ambient temperature rises. This could indicate a limitation of the aphids' sensory system or an adaptation that enables them to avoid the hostile conditions on a hot ground. Once on the ground, U. sonchi is highly mobile and capable of locating a new host plant by advancing in a pattern that differs significantly from random movement. The accurate and efficient defense mechanism of U. sonchi emphasizes the significance of incidental predation as a danger to plant-dwelling invertebrates.

  5. Avoiding incidental predation by mammalian herbivores: accurate detection and efficient response in aphids

    NASA Astrophysics Data System (ADS)

    Gish, Moshe; Dafni, Amots; Inbar, Moshe

    2011-09-01

    Mammalian herbivores eat plants that may also provide food and shelter for insects. The direct trophic effect of the browsing and grazing of mammalian herbivory on insects, which is probably prevalent in terrestrial ecosystems, has been mostly neglected by ecologists. We examined how the aphid Uroleucon sonchi L. deals with the danger of incidental predation by mammalian herbivores. We found that most (76%) of the aphids in a colony survive the ingestion of the plant by a feeding herbivore. They do so by sensing the combination of heat and humidity in the herbivore's breath and immediately dropping off the plant in large numbers. Their ability to sense the herbivore's breath or their tendency to drop off the plant weakens as ambient temperature rises. This could indicate a limitation of the aphids' sensory system or an adaptation that enables them to avoid the hostile conditions on a hot ground. Once on the ground, U. sonchi is highly mobile and capable of locating a new host plant by advancing in a pattern that differs significantly from random movement. The accurate and efficient defense mechanism of U. sonchi emphasizes the significance of incidental predation as a danger to plant-dwelling invertebrates.

  6. Accurate Detection of Interaural Time Differences by a Population of Slowly Integrating Neurons

    NASA Astrophysics Data System (ADS)

    Vasilkov, Viacheslav A.; Tikidji-Hamburyan, Ruben A.

    2012-03-01

    For localization of a sound source, animals and humans process the microsecond interaural time differences of arriving sound waves. How nervous systems, consisting of elements with time constants of about and more than 1 ms, can reach such high precision is still an open question. In this Letter we present a hypothesis and show theoretical and computational evidence that a rather large population of slowly integrating neurons with inhibitory and excitatory inputs (EI neurons) can detect minute temporal disparities in input signals which are significantly less than any time constant in the system.

  7. Possibility of detecting anisotropic expansion of the universe by very accurate astrometry measurements.

    PubMed

    Quercellini, Claudia; Quartin, Miguel; Amendola, Luca

    2009-04-17

    Refined astrometry measurements allow us to detect large-scale deviations from isotropy through real-time observations of changes in the angular separation between sources at cosmic distances. This "cosmic parallax" effect is a powerful consistency test of the Friedmann-Robertson-Walker metric and may set independent constraints on cosmic anisotropy. We apply this novel general test to Lemaitre-Tolman-Bondi cosmologies with off-center observers and show that future satellite missions such as Gaia might achieve accuracies that would put limits on the off-center distance which are competitive with cosmic microwave background dipole constraints.

  8. Mass MOVEMENTS' Detection in Hirise Images of the North Pole of Mars

    NASA Astrophysics Data System (ADS)

    Fanara, L.; Gwinner, K.; Hauber, E.; Oberst, J.

    2016-06-01

    We are investigating change detection techniques to automatically detect mass movements at the steep north polar scarps of Mars, in order to improve our understanding of these dynamic processes. Here we focus on movements of blocks specifically. The precise detection of such small changes requires an accurate co-registration of the images, which is achieved by ortho-rectifying them using High Resolution Imaging Science Experiment (HiRISE) Digital Terrain Models (DTMs). Moreover, we deal with the challenge of deriving the true shape of the moved blocks. In a next step, these results are combined with findings based on HiRISE DTMs from different points in time in order to estimate the volume of mass movements.

  9. Accurate, multi-kb reads resolve complex populations and detect rare microorganisms

    PubMed Central

    Sharon, Itai; Kertesz, Michael; Hug, Laura A.; Pushkarev, Dmitry; Blauwkamp, Timothy A.; Castelle, Cindy J.; Amirebrahimi, Mojgan; Thomas, Brian C.; Burstein, David; Tringe, Susannah G.; Williams, Kenneth H.

    2015-01-01

    Accurate evaluation of microbial communities is essential for understanding global biogeochemical processes and can guide bioremediation and medical treatments. Metagenomics is most commonly used to analyze microbial diversity and metabolic potential, but assemblies of the short reads generated by current sequencing platforms may fail to recover heterogeneous strain populations and rare organisms. Here we used short (150-bp) and long (multi-kb) synthetic reads to evaluate strain heterogeneity and study microorganisms at low abundance in complex microbial communities from terrestrial sediments. The long-read data revealed multiple (probably dozens of) closely related species and strains from previously undescribed Deltaproteobacteria and Aminicenantes (candidate phylum OP8). Notably, these are the most abundant organisms in the communities, yet short-read assemblies achieved only partial genome coverage, mostly in the form of short scaffolds (N50 = ∼2200 bp). Genome architecture and metabolic potential for these lineages were reconstructed using a new synteny-based method. Analysis of long-read data also revealed thousands of species whose abundances were <0.1% in all samples. Most of the organisms in this “long tail” of rare organisms belong to phyla that are also represented by abundant organisms. Genes encoding glycosyl hydrolases are significantly more abundant than expected in rare genomes, suggesting that rare species may augment the capability for carbon turnover and confer resilience to changing environmental conditions. Overall, the study showed that a diversity of closely related strains and rare organisms account for a major portion of the communities. These are probably common features of many microbial communities and can be effectively studied using a combination of long and short reads. PMID:25665577

  10. Laser desorption mass spectrometry for biomolecule detection and its applications

    NASA Astrophysics Data System (ADS)

    Winston Chen, C. H.; Sammartano, L. J.; Isola, N. R.; Allman, S. L.

    2001-08-01

    During the past few years, we developed and used laser desorption mass spectrometry for biomolecule detections. Matrix-assisted laser desorption/ionization (MALDI) was successfully used to detect DNA fragments with the size larger than 3000 base pairs. It was also successfully used to sequence DNA with both enzymatic and chemical degradation methods to produce DNA ladders. We also developed MALDI with fragmentation for direct DNA sequencing for short DNA probes. Since laser desorption mass spectrometry for DNA detection has the advantages of fast speed and no need of labeling, it has a great potential for molecular diagnosis for disease and person identification by DNA fingerprinting. We applied laser desorption mass spectrometry to succeed in the diagnosis of cystic fibrosis and several other nerve degenerative diseases such as Huntington's disease. We also succeeded in demonstrating DNA typing for forensic applications.

  11. Obtaining Accurate Change Detection Results from High-Resolution Satellite Sensors

    NASA Technical Reports Server (NTRS)

    Bryant, N.; Bunch, W.; Fretz, R.; Kim, P.; Logan, T.; Smyth, M.; Zobrist, A.

    2012-01-01

    Multi-date acquisitions of high-resolution imaging satellites (e.g. GeoEye and WorldView), can display local changes of current economic interest. However, their large data volume precludes effective manual analysis, requiring image co-registration followed by image-to-image change detection, preferably with minimal analyst attention. We have recently developed an automatic change detection procedure that minimizes false-positives. The processing steps include: (a) Conversion of both the pre- and post- images to reflectance values (this step is of critical importance when different sensors are involved); reflectance values can be either top-of-atmosphere units or have full aerosol optical depth calibration applied using bi-directional reflectance knowledge. (b) Panchromatic band image-to-image co-registration, using an orthorectified base reference image (e.g. Digital Orthophoto Quadrangle) and a digital elevation model; this step can be improved if a stereo-pair of images have been acquired on one of the image dates. (c) Pan-sharpening of the multispectral data to assure recognition of change objects at the highest resolution. (d) Characterization of multispectral data in the post-image ( i.e. the background) using unsupervised cluster analysis. (e) Band ratio selection in the post-image to separate surface materials of interest from the background. (f) Preparing a pre-to-post change image. (g) Identifying locations where change has occurred involving materials of interest.

  12. Rapid automated screening, identification and quantification of organic micro-contaminants and their main transformation products in wastewater and river waters using liquid chromatography-quadrupole-time-of-flight mass spectrometry with an accurate-mass database.

    PubMed

    Gómez, M J; Gómez-Ramos, M M; Malato, O; Mezcua, M; Férnandez-Alba, A R

    2010-11-05

    In this study we have developed and evaluated an analytical method for a rapid automated screening and confirmation of a large number of organic micro-contaminants (almost 400) and also the quantification of the positive findings in water samples of different types (surface and wastewaters) using liquid chromatography-electrospray quadrupole-time-of-flight mass spectrometry (LC-QTOFMS) based on the use of an accurate-mass database. The created database includes data not only on the accurate masses of the target ions but also on the characteristic in-source fragment ions, isotopic pattern and retention time data. This customized database was linked to commercially available software which extracted all the potential compounds of interest from the LC-QTOFMS raw data of each sample and matched them against the database to search for targeted compounds in the sample. The detailed fragmentation information has also been used as a powerful tool for the automatic identification of unknown compounds and/or transformation products with similar structures to those of known organic contaminants included in the database. The database can be continually enlarged. To confirm identification of compounds which have no fragment ions (or fragments with low intensity/relative abundance) from in-source CID fragmentation or isomers which are not distinguished within full single mass spectra, a "Targeted MS/MS" method is developed. Thereafter, these compounds can be further analyzed using the collision energy (CE) in QTOF-MS/MS mode. Linearity and limits of detection were studied. Method detection limits (MDLs) in effluent wastewater and river waters were, in most cases, lowers or equal to 5 and 2 ng/L, respectively. Only 15 compounds had MDLs between 5 and 50 ng/L in effluent wastewater matrix. We obtained a linearity of the calibration curves over two orders of magnitude. The method has been applied to real samples and the results obtained reveal that most of the pharmaceutically

  13. Ultra-high-performance liquid chromatography electrospray ionization tandem mass spectrometry for accurate analysis of glycerophospholipids and sphingolipids in drug resistance tumor cells.

    PubMed

    Li, Lin; Wang, Linlin; Shangguan, Dihua; Wei, Yanbo; Han, Juanjuan; Xiong, Shaoxiang; Zhao, Zhenwen

    2015-02-13

    Glycerophospholipids and sphingolipids are important signaling molecules which are involved in many physiological and pathological processes. Here we reported an effective method for accurate analysis of these lipids by liquid chromatography electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS). The methanol method was adopted for extraction of lipids due to its simplicity and high efficiency. It was found that two subclasses of sphingolipids, sulfatide (ST) and cerebroside (CB), were heat labile, so a decreased temperature in the ion source of MS might be necessary for these compounds analysis. In addition, it was found that the isobaric interferences were commonly existent, for example, the m/z of 16:0/18:1 PC containing two (13)C isotope being identical to that of 16:0/18:0 PC determined by a unit mass resolution mass spectrometer; therefore, a baseline separation of interferential species was required to maintain selectivity and accuracy of analysis. In this work, an ultra-high-performance liquid chromatography (UHPLC)-based method was developed for separation of interferential species. Moreover, in order to deal with the characteristics of different polarity and wide dynamic range of glycerophospholipids and sphingolipids in biological systems, three detecting conditions were combined together for comprehensive and rational analysis of glycerophospholipids and sphingolipids. The method was utilized to profile glycerophospholipids and sphingolipids in drug resistant tumor cells. Our results showed that many lipids were significantly changed in drug resistant tumor cells compared to paired drug sensitive tumor cells. This is a systematic report about the isobaric interferences and heat labile compounds interferences when analyzing glycerophospholipids and sphingolipids by ESI-MS/MS, which aids in ruling out one potential source of systematic error to ensure the accuracy of analysis.

  14. One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

    NASA Astrophysics Data System (ADS)

    Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae; Kwon, Chan Ho

    2014-11-01

    Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm-1 (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state (2A2), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C2v symmetry through the C-N axis.

  15. One-photon mass-analyzed threshold ionization (MATI) spectroscopy of pyridine: Determination of accurate ionization energy and cationic structure

    SciTech Connect

    Lee, Yu Ran; Kang, Do Won; Kim, Hong Lae E-mail: hlkim@kangwon.ac.kr; Kwon, Chan Ho E-mail: hlkim@kangwon.ac.kr

    2014-11-07

    Ionization energies and cationic structures of pyridine were intensively investigated utilizing one-photon mass-analyzed threshold ionization (MATI) spectroscopy with vacuum ultraviolet radiation generated by four-wave difference frequency mixing in Kr. The present one-photon high-resolution MATI spectrum of pyridine demonstrated a much finer and richer vibrational structure than that of the previously reported two-photon MATI spectrum. From the MATI spectrum and photoionization efficiency curve, the accurate ionization energy of the ionic ground state of pyridine was confidently determined to be 73 570 ± 6 cm{sup −1} (9.1215 ± 0.0007 eV). The observed spectrum was almost completely assigned by utilizing Franck-Condon factors and vibrational frequencies calculated through adjustments of the geometrical parameters of cationic pyridine at the B3LYP/cc-pVTZ level. A unique feature unveiled through rigorous analysis was the prominent progression of the 10 vibrational mode, which corresponds to in-plane ring bending, and the combination of other totally symmetric fundamentals with the ring bending overtones, which contribute to the geometrical change upon ionization. Notably, the remaining peaks originate from the upper electronic state ({sup 2}A{sub 2}), as predicted by high-resolution photoelectron spectroscopy studies and symmetry-adapted cluster configuration interaction calculations. Based on the quantitatively good agreement between the experimental and calculated results, it was concluded that upon ionization the pyridine cation in the ground electronic state should have a planar structure of C{sub 2v} symmetry through the C-N axis.

  16. Development of a Rapid and Accurate Identification Method for Citrobacter Species Isolated from Pork Products Using a Matrix-Assisted Laser-Desorption Ionization Time-of-Flight Mass Spectrometry (MALDI-TOF MS).

    PubMed

    Kwak, Hye-Lim; Han, Sun-Kyung; Park, Sunghoon; Park, Si Hong; Shim, Jae-Yong; Oh, Mihwa; Ricke, Steven C; Kim, Hae-Yeong

    2015-09-01

    Previous detection methods for Citrobacter are considered time consuming and laborious. In this study, we have developed a rapid and accurate detection method for Citrobacter species in pork products, using matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry (MS). A total of 35 Citrobacter strains were isolated from 30 pork products and identified by both MALDI-TOF MS and 16S rRNA gene sequencing approaches. All isolates were identified to the species level by the MALDI-TOF MS, while 16S rRNA gene sequencing results could not discriminate them clearly. These results confirmed that MALDI-TOF MS is a more accurate and rapid detection method for the identification of Citrobacter species.

  17. Accurate determination of the diffusion coefficient of proteins by Fourier analysis with whole column imaging detection.

    PubMed

    Zarabadi, Atefeh S; Pawliszyn, Janusz

    2015-02-17

    Analysis in the frequency domain is considered a powerful tool to elicit precise information from spectroscopic signals. In this study, the Fourier transformation technique is employed to determine the diffusion coefficient (D) of a number of proteins in the frequency domain. Analytical approaches are investigated for determination of D from both experimental and data treatment viewpoints. The diffusion process is modeled to calculate diffusion coefficients based on the Fourier transformation solution to Fick's law equation, and its results are compared to time domain results. The simulations characterize optimum spatial and temporal conditions and demonstrate the noise tolerance of the method. The proposed model is validated by its application for the electropherograms from the diffusion path of a set of proteins. Real-time dynamic scanning is conducted to monitor dispersion by employing whole column imaging detection technology in combination with capillary isoelectric focusing (CIEF) and the imaging plug flow (iPF) experiment. These experimental techniques provide different peak shapes, which are utilized to demonstrate the Fourier transformation ability in extracting diffusion coefficients out of irregular shape signals. Experimental results confirmed that the Fourier transformation procedure substantially enhanced the accuracy of the determined values compared to those obtained in the time domain.

  18. Ultrananocrystalline Diamond Membranes for Detection of High-Mass Proteins

    NASA Astrophysics Data System (ADS)

    Kim, H.; Park, J.; Aksamija, Z.; Arbulu, M.; Blick, R. H.

    2016-12-01

    Mechanical resonators realized on the nanoscale by now offer applications in mass sensing of biomolecules with extraordinary sensitivity. The general idea is that perfect mechanical mass sensors should be of extremely small size to achieve zepto- or yoctogram sensitivity in weighing single molecules similar to a classical scale. However, the small effective size and long response time for weighing biomolecules with a cantilever restricts their usefulness as a high-throughput method. Commercial mass spectrometry (MS), on the other hand, such as electrospray ionization and matrix-assisted laser desorption and ionization (MALDI) time of flight (TOF) and their charge-amplifying detectors are the gold standards to which nanomechanical resonators have to live up to. These two methods rely on the ionization and acceleration of biomolecules and the following ion detection after a mass selection step, such as TOF. The principle we describe here for ion detection is based on the conversion of kinetic energy of the biomolecules into thermal excitation of chemical vapor deposition diamond nanomembranes via phonons followed by phonon-mediated detection via field emission of thermally emitted electrons. We fabricate ultrathin diamond membranes with large lateral dimensions for MALDI TOF MS of high-mass proteins. These diamond membranes are realized by straightforward etching methods based on semiconductor processing. With a minimal thickness of 100 nm and cross sections of up to 400 ×400 μ m2 , the membranes offer extreme aspect ratios. Ion detection is demonstrated in MALDI TOF analysis over a broad range from insulin to albumin. The resulting data in detection show much enhanced resolution as compared to existing detectors, which can offer better sensitivity and overall performance in resolving protein masses.

  19. Automated detection of masses and clustered microcalcifications on mammograms

    NASA Astrophysics Data System (ADS)

    Fujita, Hiroshi; Endo, Tokiko; Matsubara, Tomoko; Hirako, Kenichi; Hara, Takeshi; Ueda, Hitoshi; Torisu, Yasuhiro; Riyahi-Alam, Nader; Horita, Katsuhei; Kido, Choichiro; Ishigaki, Takeo

    1995-05-01

    We are developing automated-detection schemes for the masses and clustered microcalcifications on laser-digitized mammograms (0.1 mm, 10-bit resolution, 2000 X 2510) by using a conventional workstation. The purpose of this paper is to provide an overview of our recent schemes and to evaluate the current performance of the schemes. The fully automated computer system consists of several parts such as the extraction of breast region, detection of masses, detection of clustered microcalcifications, classification of the candidates, and the display of the detected results. Our schemes tested with more than 200 cases of Japanese women achieved an about 95% (86%) true-positive rate with 0.61 (0.55) false-positive masses (clusters) per image. It was found that the automated method has the potential to aid physicians in screening mammograms for breast tumors. Initial results for the mammograms digitized with the pixel sizes of 25, 50, and 100 micrometers are also discussed, in which a genetic algorithm (GA) technique was applied to the detection filter for the microcalcifications. It was indicated from the experiment with a breast phantom that 100- micrometers pixel size is not enough for the computer detection of microcalcifications, and it seems that at least 50-micrometers pixel size is required.

  20. Detecting Earth-Mass Planets with Gravitational Microlensing

    NASA Astrophysics Data System (ADS)

    Bennett, David P.; Rhie, Sun Hong

    1996-11-01

    We show that Earth-mass planets orbiting stars in the Galactic disk and bulge can be detected by monitoring microlensed stars in the Galactic bulge. The star and its planet act as a binary lens which generates a light curve that can differ substantially from the light curve due only to the star itself. We show that the planetary signal remains detectable for planetary masses as small as an Earth mass when realistic source star sizes are included in the light curve calculation. These planets are detectable if they reside in the "lensing zone," which is centered between 1 and 4 AU from the lensing star and spans about a factor of 2 in distance. If we require a minimum deviation of 4% from the standard point-lens microlensing light curve, then we find that more than 2% of all M⊕ planets and 10% of all 10 M⊕ in the lensing zone can be detected. If a third of all lenses have no planets, a third have 1 M⊕ planets, and the remaining third have 10 M⊕ planets then we estimate that an aggressive ground-based microlensing planet search program could find one Earth-mass planet and half a dozen 10 M⊕ planets per year.

  1. Method for predicting peptide detection in mass spectrometry

    DOEpatents

    Kangas, Lars [West Richland, WA; Smith, Richard D [Richland, WA; Petritis, Konstantinos [Richland, WA

    2010-07-13

    A method of predicting whether a peptide present in a biological sample will be detected by analysis with a mass spectrometer. The method uses at least one mass spectrometer to perform repeated analysis of a sample containing peptides from proteins with known amino acids. The method then generates a data set of peptides identified as contained within the sample by the repeated analysis. The method then calculates the probability that a specific peptide in the data set was detected in the repeated analysis. The method then creates a plurality of vectors, where each vector has a plurality of dimensions, and each dimension represents a property of one or more of the amino acids present in each peptide and adjacent peptides in the data set. Using these vectors, the method then generates an algorithm from the plurality of vectors and the calculated probabilities that specific peptides in the data set were detected in the repeated analysis. The algorithm is thus capable of calculating the probability that a hypothetical peptide represented as a vector will be detected by a mass spectrometry based proteomic platform, given that the peptide is present in a sample introduced into a mass spectrometer.

  2. Development and evaluation of virtual refrigerant mass flow sensors for fault detection and diagnostics

    SciTech Connect

    Kim, Woohyun; Braun, J.

    2016-03-05

    Refrigerant mass flow rate is an important measurement for monitoring equipment performance and enabling fault detection and diagnostics. However, a traditional mass flow meter is expensive to purchase and install. A virtual refrigerant mass flow sensor (VRMF) uses a mathematical model to estimate flow rate using low-cost measurements and can potentially be implemented at low cost. This study evaluates three VRMFs for estimating refrigerant mass flow rate. The first model uses a compressor map that relates refrigerant flow rate to measurements of inlet and outlet pressure, and inlet temperature measurements. The second model uses an energy-balance method on the compressor that uses a compressor map for power consumption, which is relatively independent of compressor faults that influence mass flow rate. The third model is developed using an empirical correlation for an electronic expansion valve (EEV) based on an orifice equation. The three VRMFs are shown to work well in estimating refrigerant mass flow rate for various systems under fault-free conditions with less than 5% RMS error. Each of the three mass flow rate estimates can be utilized to diagnose and track the following faults: 1) loss of compressor performance, 2) fouled condenser or evaporator filter, 3) faulty expansion device, respectively. For example, a compressor refrigerant flow map model only provides an accurate estimation when the compressor operates normally. When a compressor is not delivering the expected flow due to a leaky suction or discharge valve or other internal fault, the energy-balance or EEV model can provide accurate flow estimates. In this paper, the flow differences provide an indication of loss of compressor performance and can be used for fault detection and diagnostics.

  3. Accurate physical laws can permit new standard units: The two laws F→=ma→ and the proportionality of weight to mass

    NASA Astrophysics Data System (ADS)

    Saslow, Wayne M.

    2014-04-01

    Three common approaches to F→=ma→ are: (1) as an exactly true definition of force F→ in terms of measured inertial mass m and measured acceleration a→; (2) as an exactly true axiom relating measured values of a→, F→ and m; and (3) as an imperfect but accurately true physical law relating measured a→ to measured F→, with m an experimentally determined, matter-dependent constant, in the spirit of the resistance R in Ohm's law. In the third case, the natural units are those of a→ and F→, where a→ is normally specified using distance and time as standard units, and F→ from a spring scale as a standard unit; thus mass units are derived from force, distance, and time units such as newtons, meters, and seconds. The present work develops the third approach when one includes a second physical law (again, imperfect but accurate)—that balance-scale weight W is proportional to m—and the fact that balance-scale measurements of relative weight are more accurate than those of absolute force. When distance and time also are more accurately measurable than absolute force, this second physical law permits a shift to standards of mass, distance, and time units, such as kilograms, meters, and seconds, with the unit of force—the newton—a derived unit. However, were force and distance more accurately measurable than time (e.g., time measured with an hourglass), this second physical law would permit a shift to standards of force, mass, and distance units such as newtons, kilograms, and meters, with the unit of time—the second—a derived unit. Therefore, the choice of the most accurate standard units depends both on what is most accurately measurable and on the accuracy of physical law.

  4. DETECTION OF LOW-MASS-RATIO STELLAR BINARY SYSTEMS

    SciTech Connect

    Gullikson, Kevin; Dodson-Robinson, Sarah

    2013-01-01

    O- and B-type stars are often found in binary systems, but the low binary mass-ratio regime is relatively unexplored due to observational difficulties. Binary systems with low mass ratios may have formed through fragmentation of the circumstellar disk rather than molecular cloud core fragmentation. We describe a new technique sensitive to G- and K-type companions to early B stars, a mass ratio of roughly 0.1, using high-resolution, high signal-to-noise spectra. We apply this technique to a sample of archived VLT/CRIRES observations of nearby B stars in the CO bandhead near 2300 nm. While there are no unambiguous binary detections in our sample, we identify HIP 92855 and HIP 26713 as binary candidates warranting follow-up observations. We use our non-detections to determine upper limits to the frequency of FGK stars orbiting early B-type primaries.

  5. Accurate determination of ochratoxin A in Korean fermented soybean paste by isotope dilution-liquid chromatography tandem mass spectrometry.

    PubMed

    Ahn, Seonghee; Lee, Suyoung; Lee, Joonhee; Kim, Byungjoo

    2016-01-01

    Ochratoxin A (OTA), a naturally occurring mycotoxin, has been frequently detected in doenjang, a traditional fermented soybean paste, when it is fermented under improper conditions. Reliable screening of OTA in traditional fermented soybean paste (doenjang) is a special food-safety issue in Korea. Our laboratory, the National Metrology Institute of Korea, established an isotope dilution-liquid chromatography tandem mass spectrometry (ID-LC/MS/MS) method as a higher-order reference method to be used for SI-traceable value-assignment of OTA in certified reference materials (CRMs). (13)C20-OTA was used as an internal standard. Sample preparation conditions and LC/MS measurement parameters were optimised for this purpose. The analytical method was validated by measuring samples fortified with OTA at various levels. Repeatability and reproducibility studies showed that the ID-LC/MS/MS method is reliable and reproducible within 2% relative standard deviation. The analytical method was applied to determine OTA in various commercial doenjang products and home-made doenjang products.

  6. Fragmentation pathways of drugs of abuse and their metabolites based on QTOF MS/MS and MS(E) accurate-mass spectra.

    PubMed

    Bijlsma, Lubertus; Sancho, Juan V; Hernández, Félix; Niessen, Wilfried M A

    2011-09-01

    A study of the fragmentation pathways of several classes of drugs of abuse (cannabinoids, ketamine, amphetamine and amphetamine-type stimulants (ATS), cocaine and opiates) and their related substances has been made. The knowledge of the fragmentation is highly useful for specific fragment selection or for recognition of related compounds when developing MS-based analytical methods for the trace-level determination of these compounds in complex matrices. In this work, accurate-mass spectra of selected compounds were obtained using liquid chromatography coupled to quadrupole time-of-flight mass spectrometry, performing both MS/MS and MS(E) experiments. As regards fragmentation behavior, the mass spectra of both approaches were quite similar and were useful to study the fragmentation of the drugs investigated. Accurate-mass spectra of 37 drugs of abuse and related compounds, including metabolites and deuterated analogues, were studied in this work, and structures of fragment ions were proposed. The accurate-mass data obtained allowed to confirm structures and fragmentation pathways previously proposed based on nominal mass measurements, although new insights and structure proposals were achieved in some particular cases, especially for amphetamine and ATS, 11-nor-9-carboxy-Δ(9)-tetrahydrocannabinol (THC-COOH) and opiates.

  7. Method for detecting a mass density image of an object

    DOEpatents

    Wernick, Miles N.; Yang, Yongyi

    2008-12-23

    A method for detecting a mass density image of an object. An x-ray beam is transmitted through the object and a transmitted beam is emitted from the object. The transmitted beam is directed at an angle of incidence upon a crystal analyzer. A diffracted beam is emitted from the crystal analyzer onto a detector and digitized. A first image of the object is detected from the diffracted beam emitted from the crystal analyzer when positioned at a first angular position. A second image of the object is detected from the diffracted beam emitted from the crystal analyzer when positioned at a second angular position. A refraction image is obtained and a regularized mathematical inversion algorithm is applied to the refraction image to obtain a mass density image.

  8. Nonlinear mechanical resonators for ultra-sensitive mass detection

    NASA Astrophysics Data System (ADS)

    Datskos, P. G.; Lavrik, N. V.

    2014-10-01

    The fundamental sensitivity limit of an appropriately scaled down mechanical resonator can approach one atomic mass unit when only thermal noise is present in the system. However, operation of such nanoscale mechanical resonators is very challenging due to minuteness of their oscillation amplitudes and presence of multiple noise sources in real experimental environments. In order to surmount these challenges, we use microscale cantilever resonators driven to large amplitudes, far beyond their nonlinear instability onset. Our experiments show that such a nonlinear cantilever resonator, described analytically as a Duffing oscillator, has mass sensing performance comparable to that of much smaller resonators operating in a linear regime. We demonstrate femtogram level mass sensing that relies on a bifurcation point tracking that does not require any complex readout means. Our approaches enable straightforward detection of mass changes that are near the fundamental limit imposed by thermo-mechanical fluctuations.

  9. Bayesian Peptide Peak Detection for High Resolution TOF Mass Spectrometry

    PubMed Central

    Zhang, Jianqiu; Zhou, Xiaobo; Wang, Honghui; Suffredini, Anthony; Zhang, Lin; Huang, Yufei; Wong, Stephen

    2011-01-01

    In this paper, we address the issue of peptide ion peak detection for high resolution time-of-flight (TOF) mass spectrometry (MS) data. A novel Bayesian peptide ion peak detection method is proposed for TOF data with resolution of 10 000–15 000 full width at half-maximum (FWHW). MS spectra exhibit distinct characteristics at this resolution, which are captured in a novel parametric model. Based on the proposed parametric model, a Bayesian peak detection algorithm based on Markov chain Monte Carlo (MCMC) sampling is developed. The proposed algorithm is tested on both simulated and real datasets. The results show a significant improvement in detection performance over a commonly employed method. The results also agree with expert’s visual inspection. Moreover, better detection consistency is achieved across MS datasets from patients with identical pathological condition. PMID:21544266

  10. Full house of fears: evidence that people high in attachment anxiety are more accurate in detecting deceit.

    PubMed

    Ein-Dor, Tsachi; Perry, Adi

    2014-04-01

    Lying is deep-rooted in our nature, as over 90% of all people lie. Laypeople, however, do only slightly better than chance when detecting lies and deceptions. Recently, attachment anxiety was linked with people's hypervigilance toward threat-related cues. Accordingly, we tested whether attachment anxiety predicts people's ability to detect deceit and to play poker-a game that is based on players' ability to detect cheating. In Study 1, 202 participants watched a series of interpersonal interactions that comprised subtle clues to the honesty or dishonesty of the speakers. In Study 2, 58 participants watched clips in which such cues were absent. Participants were asked to decide whether the main characters were honest or dishonest. In Study 3, we asked 35 semiprofessional poker players to participate in a poker tournament, and then we predicted the amount of money won during the game. Results indicated that attachment anxiety, but not other types of anxiety, predicted more accurate detection of deceitful statements (Studies 1-2) and a greater amount of money won during a game of poker (Study 3). Results are discussed in relation to the possible adaptive functions of certain personality characteristics, such as attachment anxiety, often viewed as undesirable.

  11. The Automatic Detection of Coronal Mass Ejections Using the Solar Mass Ejection Imager

    DTIC Science & Technology

    2009-10-30

    Res., 112, A09103, doi: 10.1029/2007JA012358, 2007. Low, B.C., Solar activity and the corona , Solar Phys. 167, p217, 1996. Robbrecht, E., and D...AFRL-RV-HA-TR-2009-1104 Q- o o o p o The Automatic Detection of Coronal Mass Ejections Using the Solar Mass Ejection Imager Timothy A. Howard... Solar Mass Ejection Imager 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6340IF 6. AUTHORS Timothy A. Howard S. James Tappin

  12. Mass determination of megadalton-DNA Electrospray Ions usingCharge Detection Mass Spectrometry

    SciTech Connect

    Schultz, Jocelyn C.; Hack, Christopher; Benner, Henry W.

    1997-10-01

    Charge detection mass spectrometry (CD-MS) has been used to determine the mass of double-stranded, circular DNA and single-stranded, circular DNA in the range of 2500 to 8000 base pairs (1.5-5.0 MDa). Simultaneous measurement of the charge and velocity of an electrostatically accelerated ion allows a mass determination of the ion, with instrument calibration determined independently of samples. Positive ion mass spectra of electrosprayed commercial DNA samples supplied in tris(hydroxymethyl)ethylenediamine tetraacetic acid buffer, diluted in 50 vol. percent acetonitrile, were obtained without cleanup of the sample. ACD mass spectrum constructed from 3000 ion measurements takes 10 min to acquire and yields the DNA molecular mass directly (mass resolution = 6). The data collected represent progress toward a more automatable alternative to sizing of DNA by gel electrophoresis. In addition to the mass spectra, CD-MS generates charge versus mass plots, which provide another means to investigate the creation and fate of large electrospray ions.

  13. Matrix-Assisted Laser Desorption Ionization–Time of Flight Mass Spectrometry Can Accurately Differentiate between Mycobacterium masilliense (M. abscessus subspecies bolletti) and M. abscessus (Sensu Stricto)

    PubMed Central

    Teng, Shih-Hua; Chen, Chung-Ming; Lee, Meng-Rui; Lee, Tai-Fen; Chien, Kun-Yi; Teng, Lee-Jene

    2013-01-01

    Among 36 Mycobacterium masilliense and 22 M. abscessus isolates identified by erm(41) PCR and sequencing analysis of rpoB and 23S rRNA genes, the rate of accurate differentiation between these two subspecies was 100% by cluster analysis of spectra generated by Bruker Biotyper matrix-assisted laser desorption ionization–time of flight mass spectrometry. PMID:23824775

  14. Simple and accurate measurement of carbamazepine in surface water by use of porous membrane-protected micro-solid-phase extraction coupled with isotope dilution mass spectrometry.

    PubMed

    Teo, Hui Ling; Wong, Lingkai; Liu, Qinde; Teo, Tang Lin; Lee, Tong Kooi; Lee, Hian Kee

    2016-03-17

    To achieve fast and accurate analysis of carbamazepine in surface water, we developed a novel porous membrane-protected micro-solid-phase extraction (μ-SPE) method, followed by liquid chromatography-isotope dilution tandem mass spectrometry (LC-IDMS/MS) analysis. The μ-SPE device (∼0.8 × 1 cm) was fabricated by heat-sealing edges of a polypropylene membrane sheet to devise a bag enclosing the sorbent. The analytes (both carbamazepine and isotope-labelled carbamazepine) were first extracted by μ-SPE device in the sample (10 mL) via agitation, then desorbed in an organic solvent (1 mL) via ultrasonication. Several parameters such as organic solvent for pre-conditioning of μ-SPE device, amount of sorbent, adsorption time, and desorption solvent and time were investigated to optimize the μ-SPE efficiency. The optimized method has limits of detection and quantitation estimated to be 0.5 ng L(-1) and 1.6 ng L(-1), respectively. Surface water samples spiked with different amounts of carbamazepine (close to 20, 500, and 1600 ng L(-1), respectively) were analysed for the validation of method precision and accuracy. Good precision was obtained as demonstrated by relative standard deviations of 0.7% for the samples with concentrations of 500 and 1600 ng kg(-1), and 5.8% for the sample with concentration of 20 ng kg(-1). Good accuracy was also demonstrated by the relative recoveries in the range of 96.7%-103.5% for all samples with uncertainties of 1.1%-5.4%. Owing to the same chemical properties of carbamazepine and isotope-labelled carbamazepine, the isotope ratio in the μ-SPE procedure was accurately controlled. The use of μ-SPE coupled with IDMS analysis significantly facilitated the fast and accurate measurement of carbamazepine in surface water.

  15. Single virus particle mass detection using microresonators with nanoscale thickness

    NASA Astrophysics Data System (ADS)

    Gupta, A.; Akin, D.; Bashir, R.

    2004-03-01

    In this letter, we present the microfabrication and application of arrays of silicon cantilever beams as microresonator sensors with nanoscale thickness to detect the mass of individual virus particles. The dimensions of the fabricated cantilever beams were in the range of 4-5 μm in length, 1-2 μm in width and 20-30 nm in thickness. The virus particles we used in the study were vaccinia virus, which is a member of the Poxviridae family and forms the basis of the smallpox vaccine. The frequency spectra of the cantilever beams, due to thermal and ambient noise, were measured using a laser Doppler vibrometer under ambient conditions. The change in resonant frequency as a function of the virus particle mass binding on the cantilever beam surface forms the basis of the detection scheme. We have demonstrated the detection of a single vaccinia virus particle with an average mass of 9.5 fg. These devices can be very useful as components of biosensors for the detection of airborne virus particles.

  16. High frequency columnar silicon microresonators for mass detection

    SciTech Connect

    Kehrbusch, J.; Ilin, E. A.; Hullin, M.; Oesterschulze, E.

    2008-07-14

    A simple but effective technological scheme for the fabrication of high frequency silicon columnar microresonators is presented. With the proposed technique the dimensions of the microresonators are controlled on a scale of at least 1 {mu}m. Characterization of the mechanical properties of silicon columns gave resonant frequencies of the lowest flexural mode of 3-7 MHz with quality factors of up to 2500 in air and {approx}8800 under vacuum condition. Columnar microresonators were operated as mass balance with a sensitivity of 1 Hz/fg. A mass detection limit of 25 fg was deduced from experiments.

  17. Cosmological Neutrino Mass Detection: The Best Probe of Neutrino Lifetime

    SciTech Connect

    Serpico, Pasquale D.

    2007-04-27

    Future cosmological data may be sensitive to the effects of a finite sum of neutrino masses even as small as {approx}0.06 eV, the lower limit guaranteed by neutrino oscillation experiments. We show that a cosmological detection of neutrino mass at that level would improve by many orders of magnitude the existing limits on neutrino lifetime, and as a consequence, on neutrino secret interactions with (quasi)massless particles as in Majoron models. On the other hand, neutrino decay may provide a way out to explain a discrepancy < or approx. 0.1 eV between cosmic neutrino bounds and lab data.

  18. Cosmological neutrino mass detection: The Best probe of neutrino lifetime

    SciTech Connect

    Serpico, Pasquale D.; /Fermilab

    2007-01-01

    Future cosmological data may be sensitive to the effects of a finite sum of neutrino masses even as small as {approx}0.06 eV, the lower limit guaranteed by neutrino oscillation experiments. We show that a cosmological detection of neutrino mass at that level would improve by many orders of magnitude the existing limits on neutrino lifetime, and as a consequence on neutrino secret interactions with (quasi-)massless particles as in majoron models. On the other hand, neutrino decay may provide a way-out to explain a discrepancy {approx}< 0.1 eV between cosmic neutrino bounds and Lab data.

  19. Halo-independent direct detection analyses without mass assumptions

    SciTech Connect

    Anderson, Adam J.; Fox, Patrick J.; Kahn, Yonatan; McCullough, Matthew

    2015-10-06

    Results from direct detection experiments are typically interpreted by employing an assumption about the dark matter velocity distribution, with results presented in the m{sub χ}−σ{sub n} plane. Recently methods which are independent of the DM halo velocity distribution have been developed which present results in the v{sub min}−g-tilde plane, but these in turn require an assumption on the dark matter mass. Here we present an extension of these halo-independent methods for dark matter direct detection which does not require a fiducial choice of the dark matter mass. With a change of variables from v{sub min} to nuclear recoil momentum (p{sub R}), the full halo-independent content of an experimental result for any dark matter mass can be condensed into a single plot as a function of a new halo integral variable, which we call h-til-tilde(p{sub R}). The entire family of conventional halo-independent g-tilde(v{sub min}) plots for all DM masses are directly found from the single h-tilde(p{sub R}) plot through a simple rescaling of axes. By considering results in h-tilde(p{sub R}) space, one can determine if two experiments are inconsistent for all masses and all physically possible halos, or for what range of dark matter masses the results are inconsistent for all halos, without the necessity of multiple g-tilde(v{sub min}) plots for different DM masses. We conduct a sample analysis comparing the CDMS II Si events to the null results from LUX, XENON10, and SuperCDMS using our method and discuss how the results can be strengthened by imposing the physically reasonable requirement of a finite halo escape velocity.

  20. Halo-independent direct detection analyses without mass assumptions

    DOE PAGES

    Anderson, Adam J.; Fox, Patrick J.; Kahn, Yonatan; ...

    2015-10-06

    Results from direct detection experiments are typically interpreted by employing an assumption about the dark matter velocity distribution, with results presented in the mχ – σn plane. Recently methods which are independent of the DM halo velocity distribution have been developed which present results in the vmin – g~ plane, but these in turn require an assumption on the dark matter mass. Here we present an extension of these halo-independent methods for dark matter direct detection which does not require a fiducial choice of the dark matter mass. With a change of variables from vmin to nuclear recoil momentum (pR),more » the full halo-independent content of an experimental result for any dark matter mass can be condensed into a single plot as a function of a new halo integral variable, which we call tilde h(pR). The entire family of conventional halo-independent tilde g~(vmin) plots for all DM masses are directly found from the single tilde h~(pR) plot through a simple rescaling of axes. By considering results in tildeh~(pR) space, one can determine if two experiments are inconsistent for all masses and all physically possible halos, or for what range of dark matter masses the results are inconsistent for all halos, without the necessity of multiple tilde g~(vmin) plots for different DM masses. As a result, we conduct a sample analysis comparing the CDMS II Si events to the null results from LUX, XENON10, and SuperCDMS using our method and discuss how the results can be strengthened by imposing the physically reasonable requirement of a finite halo escape velocity.« less

  1. Halo-independent direct detection analyses without mass assumptions

    SciTech Connect

    Anderson, Adam J.; Fox, Patrick J.; Kahn, Yonatan; McCullough, Matthew

    2015-10-06

    Results from direct detection experiments are typically interpreted by employing an assumption about the dark matter velocity distribution, with results presented in the mχ – σn plane. Recently methods which are independent of the DM halo velocity distribution have been developed which present results in the vmin – g~ plane, but these in turn require an assumption on the dark matter mass. Here we present an extension of these halo-independent methods for dark matter direct detection which does not require a fiducial choice of the dark matter mass. With a change of variables from vmin to nuclear recoil momentum (pR), the full halo-independent content of an experimental result for any dark matter mass can be condensed into a single plot as a function of a new halo integral variable, which we call tilde h(pR). The entire family of conventional halo-independent tilde g~(vmin) plots for all DM masses are directly found from the single tilde h~(pR) plot through a simple rescaling of axes. By considering results in tildeh~(pR) space, one can determine if two experiments are inconsistent for all masses and all physically possible halos, or for what range of dark matter masses the results are inconsistent for all halos, without the necessity of multiple tilde g~(vmin) plots for different DM masses. As a result, we conduct a sample analysis comparing the CDMS II Si events to the null results from LUX, XENON10, and SuperCDMS using our method and discuss how the results can be strengthened by imposing the physically reasonable requirement of a finite halo escape velocity.

  2. Halo-independent direct detection analyses without mass assumptions

    SciTech Connect

    Anderson, Adam J.; Fox, Patrick J.; Kahn, Yonatan; McCullough, Matthew E-mail: pjfox@fnal.gov E-mail: matthew.mccullough@cern.ch

    2015-10-01

    Results from direct detection experiments are typically interpreted by employing an assumption about the dark matter velocity distribution, with results presented in the m{sub χ}−σ{sub n} plane. Recently methods which are independent of the DM halo velocity distribution have been developed which present results in the v{sub min}− g-tilde plane, but these in turn require an assumption on the dark matter mass. Here we present an extension of these halo-independent methods for dark matter direct detection which does not require a fiducial choice of the dark matter mass. With a change of variables from v{sub min} to nuclear recoil momentum (p{sub R}), the full halo-independent content of an experimental result for any dark matter mass can be condensed into a single plot as a function of a new halo integral variable, which we call h-tilde (p{sub R}). The entire family of conventional halo-independent g-tilde (v{sub min}) plots for all DM masses are directly found from the single h-tilde (p{sub R}) plot through a simple rescaling of axes. By considering results in h-tilde (p{sub R}) space, one can determine if two experiments are inconsistent for all masses and all physically possible halos, or for what range of dark matter masses the results are inconsistent for all halos, without the necessity of multiple g-tilde (v{sub min}) plots for different DM masses. We conduct a sample analysis comparing the CDMS II Si events to the null results from LUX, XENON10, and SuperCDMS using our method and discuss how the results can be strengthened by imposing the physically reasonable requirement of a finite halo escape velocity.

  3. Halo-independent direct detection analyses without mass assumptions

    NASA Astrophysics Data System (ADS)

    Anderson, Adam J.; Fox, Patrick J.; Kahn, Yonatan; McCullough, Matthew

    2015-10-01

    Results from direct detection experiments are typically interpreted by employing an assumption about the dark matter velocity distribution, with results presented in the mχ-σn plane. Recently methods which are independent of the DM halo velocity distribution have been developed which present results in the vmin-tilde g plane, but these in turn require an assumption on the dark matter mass. Here we present an extension of these halo-independent methods for dark matter direct detection which does not require a fiducial choice of the dark matter mass. With a change of variables from vmin to nuclear recoil momentum (pR), the full halo-independent content of an experimental result for any dark matter mass can be condensed into a single plot as a function of a new halo integral variable, which we call tilde h(pR). The entire family of conventional halo-independent tilde g(vmin) plots for all DM masses are directly found from the single tilde h(pR) plot through a simple rescaling of axes. By considering results in tilde h(pR) space, one can determine if two experiments are inconsistent for all masses and all physically possible halos, or for what range of dark matter masses the results are inconsistent for all halos, without the necessity of multiple tilde g(vmin) plots for different DM masses. We conduct a sample analysis comparing the CDMS II Si events to the null results from LUX, XENON10, and SuperCDMS using our method and discuss how the results can be strengthened by imposing the physically reasonable requirement of a finite halo escape velocity.

  4. Aerosol detection efficiency in inductively coupled plasma mass spectrometry

    SciTech Connect

    Hubbard, Joshua A.; Zigmond, Joseph A.

    2016-03-02

    We used an electrostatic size classification technique to segregate particles of known composition prior to being injected into an inductively coupled plasma mass spectrometer (ICP-MS). Moreover, we counted size-segregated particles with a condensation nuclei counter as well as sampled with an ICP-MS. By injecting particles of known size, composition, and aerosol concentration into the ICP-MS, efficiencies of the order of magnitude aerosol detection were calculated, and the particle size dependencies for volatile and refractory species were quantified. Similar to laser ablation ICP-MS, aerosol detection efficiency was defined as the rate at which atoms were detected in the ICP-MS normalized by the rate at which atoms were injected in the form of particles. This method adds valuable insight into the development of technologies like laser ablation ICP-MS where aerosol particles (of relatively unknown size and gas concentration) are generated during ablation and then transported into the plasma of an ICP-MS. In this study, we characterized aerosol detection efficiencies of volatile species gold and silver along with refractory species aluminum oxide, cerium oxide, and yttrium oxide. Aerosols were generated with electrical mobility diameters ranging from 100 to 1000 nm. In general, it was observed that refractory species had lower aerosol detection efficiencies than volatile species, and there were strong dependencies on particle size and plasma torch residence time. Volatile species showed a distinct transition point at which aerosol detection efficiency began decreasing with increasing particle size. This critical diameter indicated the largest particle size for which complete particle detection should be expected and agreed with theories published in other works. Aerosol detection efficiencies also displayed power law dependencies on particle size. Aerosol detection efficiencies ranged from 10-5 to 10-11. Free molecular heat and mass transfer

  5. Aerosol detection efficiency in inductively coupled plasma mass spectrometry

    NASA Astrophysics Data System (ADS)

    Hubbard, Joshua A.; Zigmond, Joseph A.

    2016-05-01

    An electrostatic size classification technique was used to segregate particles of known composition prior to being injected into an inductively coupled plasma mass spectrometer (ICP-MS). Size-segregated particles were counted with a condensation nuclei counter as well as sampled with an ICP-MS. By injecting particles of known size, composition, and aerosol concentration into the ICP-MS, efficiencies of the order of magnitude aerosol detection were calculated, and the particle size dependencies for volatile and refractory species were quantified. Similar to laser ablation ICP-MS, aerosol detection efficiency was defined as the rate at which atoms were detected in the ICP-MS normalized by the rate at which atoms were injected in the form of particles. This method adds valuable insight into the development of technologies like laser ablation ICP-MS where aerosol particles (of relatively unknown size and gas concentration) are generated during ablation and then transported into the plasma of an ICP-MS. In this study, we characterized aerosol detection efficiencies of volatile species gold and silver along with refractory species aluminum oxide, cerium oxide, and yttrium oxide. Aerosols were generated with electrical mobility diameters ranging from 100 to 1000 nm. In general, it was observed that refractory species had lower aerosol detection efficiencies than volatile species, and there were strong dependencies on particle size and plasma torch residence time. Volatile species showed a distinct transition point at which aerosol detection efficiency began decreasing with increasing particle size. This critical diameter indicated the largest particle size for which complete particle detection should be expected and agreed with theories published in other works. Aerosol detection efficiencies also displayed power law dependencies on particle size. Aerosol detection efficiencies ranged from 10- 5 to 10- 11. Free molecular heat and mass transfer theory was applied, but

  6. Aerosol detection efficiency in inductively coupled plasma mass spectrometry

    DOE PAGES

    Hubbard, Joshua A.; Zigmond, Joseph A.

    2016-03-02

    We used an electrostatic size classification technique to segregate particles of known composition prior to being injected into an inductively coupled plasma mass spectrometer (ICP-MS). Moreover, we counted size-segregated particles with a condensation nuclei counter as well as sampled with an ICP-MS. By injecting particles of known size, composition, and aerosol concentration into the ICP-MS, efficiencies of the order of magnitude aerosol detection were calculated, and the particle size dependencies for volatile and refractory species were quantified. Similar to laser ablation ICP-MS, aerosol detection efficiency was defined as the rate at which atoms were detected in the ICP-MS normalized bymore » the rate at which atoms were injected in the form of particles. This method adds valuable insight into the development of technologies like laser ablation ICP-MS where aerosol particles (of relatively unknown size and gas concentration) are generated during ablation and then transported into the plasma of an ICP-MS. In this study, we characterized aerosol detection efficiencies of volatile species gold and silver along with refractory species aluminum oxide, cerium oxide, and yttrium oxide. Aerosols were generated with electrical mobility diameters ranging from 100 to 1000 nm. In general, it was observed that refractory species had lower aerosol detection efficiencies than volatile species, and there were strong dependencies on particle size and plasma torch residence time. Volatile species showed a distinct transition point at which aerosol detection efficiency began decreasing with increasing particle size. This critical diameter indicated the largest particle size for which complete particle detection should be expected and agreed with theories published in other works. Aerosol detection efficiencies also displayed power law dependencies on particle size. Aerosol detection efficiencies ranged from 10-5 to 10-11. Free molecular heat and mass transfer theory was

  7. Structure elucidation of degradation products of the antibiotic amoxicillin with ion trap MS(n) and accurate mass determination by ESI TOF.

    PubMed

    Nägele, Edgar; Moritz, Ralf

    2005-10-01

    Today, it is necessary to identify relevant compounds appearing in discovery and development of new drug substances in the pharmaceutical industry. For that purpose, the measurement of accurate molecular mass and empirical formula calculation is very important for structure elucidation in addition to other available analytical methods. In this work, the identification and confirmation of degradation products in a finished dosage form of the antibiotic drug amoxicillin obtained under stress conditions will be demonstrated. Structure elucidation is performed utilizing liquid chromatography (LC) ion trap MS/MS and MS3 together with accurate mass measurement of the molecular ions and of the collision induced dissociation (CID) fragments by liquid chromatography electro spray ionization time-of-flight mass spectrometry (LC/ESI-TOF).

  8. Radionuclide detection by inductively coupled plasma mass spectrometry: A comparison of atomic and radiation detection method

    SciTech Connect

    Smith, M.R.; Wyse, E.J.; Koppenaal, D.W.

    1991-04-01

    Radionuclide detection by mass spectrometric techniques offers inherent advantages over conventional radiation detection methods. Since radionuclides decay at variable rates (half-lives) and via various nuclear transformations (i.e. emission of alpha, beta, and/or gamma radiation) their determination via radiation detection depends not only on decay systematics but also on detector technology. Radionuclide detection by direct atom measurement, however, is dependent only on technique sensitivity and is indifferent to decay mode. Evaluation of inductively coupled plasma mass spectrometry (ICP/MS) indicates this method to be superior conventional radiation detection techniques for many radionuclides. This work discusses factors which influence detection by both methods. Illustrative applications of ICP/MS to the ultra-trace determination of several radionuclides, including {sup 129}I, are presented. 20 refs., 6 figs., 1 tab.

  9. Multi-residue screening of veterinary drugs in egg, fish and meat using high-resolution liquid chromatography accurate mass time-of-flight mass spectrometry.

    PubMed

    Peters, R J B; Bolck, Y J C; Rutgers, P; Stolker, A A M; Nielen, M W F

    2009-11-13

    The last 2 years multi-compound methods are gaining ground as screening methods. In this study a high-resolution liquid chromatography combined with time-of-flight mass spectrometry (HRLC-ToF-MS) is tested for the screening of about 100 veterinary drugs in three matrices, meat, fish and egg. While the results are satisfactory for 70-90% of the veterinary drugs, a more efficient sample preparation or extract purification is required for quantitative analysis of all analytes in more difficult matrices like egg. The average mass measurement error of the ToF-MS for the veterinary drugs spiked at concentrations ranging from 4 to 400 microg/kg, is 3.0 ppm (median 2.5 ppm) with little difference between the three matrices, but slightly decreases with increasing concentration. The SigmaFit value, a new feature for isotope pattern matching, also decreases with increasing concentration and, in addition, shows an increase with increasing matrix complexity. While the average SigmaFit value is 0.04, the median is 0.01 indicating some high individual deviations. As with the mass measurement error, the highest deviations are found in those regions of the chromatogram where most compounds elute from the column, be it analytes or matrix compounds. The median repeatability of the method ranges from 8% to 15%, decreasing with increasing concentration, while the median reproducibility ranges from 15% to 20% with little difference between matrices and concentrations. The median accuracy is in between 70% and 100% with a few compounds showing higher values due to matrix interference. The squared regression coefficient is >0.99 for 92% of the compounds showing a good overall linearity for most compounds. The detection capability, CCbeta, is within 2 times the associated validation level for >90% of the compounds studied. By changing a few conditions in the analyses protocol and analysing a number of blank samples, it was determined that the method is robust as well as specific. Finally

  10. Accurate Point-of-Care Detection of Ruptured Fetal Membranes: Improved Diagnostic Performance Characteristics with a Monoclonal/Polyclonal Immunoassay

    PubMed Central

    Rogers, Linda C.; Scott, Laurie; Block, Jon E.

    2016-01-01

    OBJECTIVE Accurate and timely diagnosis of rupture of membranes (ROM) is imperative to allow for gestational age-specific interventions. This study compared the diagnostic performance characteristics between two methods used for the detection of ROM as measured in the same patient. METHODS Vaginal secretions were evaluated using the conventional fern test as well as a point-of-care monoclonal/polyclonal immunoassay test (ROM Plus®) in 75 pregnant patients who presented to labor and delivery with complaints of leaking amniotic fluid. Both tests were compared to analytical confirmation of ROM using three external laboratory tests. Diagnostic performance characteristics were calculated including sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), and accuracy. RESULTS Diagnostic performance characteristics uniformly favored ROM detection using the immunoassay test compared to the fern test: sensitivity (100% vs. 77.8%), specificity (94.8% vs. 79.3%), PPV (75% vs. 36.8%), NPV (100% vs. 95.8%), and accuracy (95.5% vs. 79.1%). CONCLUSIONS The point-of-care immunoassay test provides improved diagnostic accuracy for the detection of ROM compared to fern testing. It has the potential of improving patient management decisions, thereby minimizing serious complications and perinatal morbidity. PMID:27199579

  11. Strategy for Accurate Detection of Escherichia Coli O157:H7 in Ground Pork Using a Lateral Flow Immunoassay.

    PubMed

    Cheng, Song; Chen, Ming-Hui; Zhang, Gang-Gang; Yu, Zhi-Biao; Liu, Dao-Feng; Xiong, Yong-Hua; Wei, Hua; Lai, Wei-Hua

    2017-04-02

    Escherichia coli O157:H7 is known to cause serious diseases including hemorrhagic colitis and hemolytic uremic syndrome. A gold nanoparticle lateral flow immunoassay (Au-LFIA) was used to detect Escherichia coli O157:H7 in ground pork samples. False-positive results were detected using Au-LFIA; a Citrobacterfreundii strain was isolated from the ground pork samples and identified by using CHROmagar(TM) plates, API 20E, and 16S RNA sequencing. Since C.freundii showed cross-reactivity with E. coli O157:H7 when Au-LFIA test strips were used, a novel method combining modified enrichment with a lateral flow immunoassay for accurate and convenient detection of E. coli O157:H7 in ground pork was developed in this study to minimize these false positives. MacConkey broth was optimized for E. coli O157:H7 enrichment and C.freundii inhibition by the addition of 5 mg/L potassium tellurite and 0.10 mg/L cefixime. Using the proposed modified enrichment procedure, the false-positive rate of ground pork samples spiked with 100 CFU/g C.freundii decreased to 5%.

  12. Direct Detection of Biotinylated Proteins by Mass Spectrometry

    PubMed Central

    2015-01-01

    Mass spectrometric strategies to identify protein subpopulations involved in specific biological functions rely on covalently tagging biotin to proteins using various chemical modification methods. The biotin tag is primarily used for enrichment of the targeted subpopulation for subsequent mass spectrometry (MS) analysis. A limitation of these strategies is that MS analysis does not easily discriminate unlabeled contaminants from the labeled protein subpopulation under study. To solve this problem, we developed a flexible method that only relies on direct MS detection of biotin-tagged proteins called “Direct Detection of Biotin-containing Tags” (DiDBiT). Compared with conventional targeted proteomic strategies, DiDBiT improves direct detection of biotinylated proteins ∼200 fold. We show that DiDBiT is applicable to several protein labeling protocols in cell culture and in vivo using cell permeable NHS-biotin and incorporation of the noncanonical amino acid, azidohomoalanine (AHA), into newly synthesized proteins, followed by click chemistry tagging with biotin. We demonstrate that DiDBiT improves the direct detection of biotin-tagged newly synthesized peptides more than 20-fold compared to conventional methods. With the increased sensitivity afforded by DiDBiT, we demonstrate the MS detection of newly synthesized proteins labeled in vivo in the rodent nervous system with unprecedented temporal resolution as short as 3 h. PMID:25117199

  13. Using ductoscopy to detect breast mass at an early stage.

    PubMed

    Sparks, Carol A

    2002-11-01

    Using a new procedure termed fiberoptic ductoscopy, a surgeon can visualize a patient's breast mammary ducts directly with a 0.9-mm scope. Eighty-five percent of breast cancers are thought to originate in the epithelial lining of the mammary ducts. The hope is that this new technique will allow surgeons to detect breast cancer in high-risk patients before a mass is felt or seen via mammography.

  14. Vibration-based monitoring to detect mass changes in satellites

    NASA Astrophysics Data System (ADS)

    Maji, Arup; Vernon, Breck

    2012-04-01

    Vibration-based structural health monitoring could be a useful form of determining the health and safety of space structures. A particular concern is the possibility of a foreign object that attaches itself to a satellite in orbit for adverse reasons. A frequency response analysis was used to determine the changes in mass and moment of inertia of the space structure based on a change in the natural frequencies of the structure or components of the structure. Feasibility studies were first conducted on a 7 in x 19 in aluminum plate with various boundary conditions. Effect of environmental conditions on the frequency response was determined. The baseline frequency response for the plate was then used as the basis for detection of the addition, and possibly the location, of added masses on the plate. The test results were compared to both analytical solutions and finite element models created in SAP2000. The testing was subsequently expanded to aluminum alloy satellite panels and a mock satellite with dummy payloads. Statistical analysis was conducted on variations of frequency due to added mass and thermal changes to determine the threshold of added mass that can be detected.

  15. Botulinum Neurotoxin Detection and Differentiation by Mass Spectrometry

    PubMed Central

    Moura, Hercules; Boyer, Anne E.; Woolfitt, Adrian R.; Kalb, Suzanne R.; Pavlopoulos, Antonis; McWilliams, Lisa G.; Schmidt, Jurgen G.; Martinez, Rodolfo A.; Ashley, David L.

    2005-01-01

    Botulinum neurotoxins (BoNTs) are proteases that cleave specific cellular proteins essential for neurotransmitter release. Seven BoNT serotypes (A–G) exist; 4 usually cause human botulism (A, B, E, and F). We developed a rapid, mass spectrometry–based method (Endopep-MS) to detect and differentiate active BoNTs A, B, E, and F. This method uses the highly specific protease activity of the toxins with target peptides specific for each toxin serotype. The product peptides derived from the endopeptidase activities of BoNTs are detected by matrix-assisted laser-desorption ionization time-of-flight mass spectrometry. In buffer, this method can detect toxin equivalents of as little as 0.01 mouse lethal dose (MLD)50 and concentrations as low as 0.62 MLD50/mL. A high-performance liquid chromatography–tandem mass spectrometry method for quantifying active toxin, where the amount of toxin can be correlated to the amount of product peptides, is also described. PMID:16318699

  16. Laser desorption mass spectrometry for point mutation detection

    SciTech Connect

    Taranenko, N.I.; Chung, C.N.; Zhu, Y.F.

    1996-10-01

    A point mutation can be associated with the pathogenesis of inherited or acquired diseases. Laser desorption mass spectrometry coupled with allele specific polymerase chain reaction (PCR) was first used for point mutation detection. G551D is one of several mutations of the cystic fibrosis transmembrane conductance regulator (CFTR) gene present in 1-3% of the mutant CFTR alleles in most European populations. In this work, two different approaches were pursued to detect G551D point mutation in the cystic fibrosis gene. The strategy is to amplify the desired region of DNA template by PCR using two primers that overlap one base at the site of the point mutation and which vary in size. If the two primers based on the normal sequence match the target DNA sequence, a normal PCR product will be produced. However, if the alternately sized primers that match the mutant sequence recognize the target DNA, an abnormal PCR product will be produced. Thus, the mass spectrometer can be used to identify patients that are homozygous normal, heterozygous for a mutation or homozygous abnormal at a mutation site. Another approach to identify similar mutations is the use of sequence specific restriction enzymes which respond to changes in the DNA sequence. Mass spectrometry is used to detect the length of the restriction fragments generated by digestion of a PCR generated target fragment. 21 refs., 10 figs., 2 tabs.

  17. Laser desorption mass spectrometry for point mutation detection

    SciTech Connect

    Taranenko, N.I.; Chung, C.N.; Zhu, Y.F.

    1996-12-31

    A point mutation can be associated with the pathogenesis of inherited or acquired diseases. Laser desorption mass spectrometry coupled with allele specific polymerase chain reaction (PCR) was first used for point mutation detection. G551D is one of several mutations of the cystic fibrosis transmembrane conductance regulator (CFTR) gene present in 1-3% of the mutant CFTR alleles in most European populations. In this work, two different approaches were pursued to detect G551D point mutation in the cystic fibrosis gene. The strategy is to amplify the desired region of DNA template by PCR using two primers that overlap one base at the site of the point mutation and which vary in size. If the two primers based on the normal sequence match the target DNA sequence, a normal PCR product will be produced. However, if the alternately sized primers that match the mutant sequence recognize the target DNA, an abnormal PCR product will be produced. Thus, the mass spectrometer can be used to identify patients that are homozygous normal, heterozygous for a mutation or homozygous abnormal at a mutation site. Another approach to identify similar mutations is the use of sequence specific restriction enzymes which respond to changes in the DNA sequence. Mass spectrometry is used to detect the length of the restriction fragments by digestion of a PCR generated target fragment. 21 refs., 10 figs., 2 tabs.

  18. Probing Interfacial Processes on Graphene Surface by Mass Detection

    NASA Astrophysics Data System (ADS)

    Kakenov, Nurbek; Kocabas, Coskun

    2013-03-01

    In this work we studied the mass density of graphene, probed interfacial processes on graphene surface and examined the formation of graphene oxide by mass detection. The graphene layers were synthesized by chemical vapor deposition method on copper foils and transfer-printed on a quartz crystal microbalance (QCM). The mass density of single layer graphene was measured by investigating the mechanical resonance of the QCM. Moreover, we extended the developed technique to probe the binding dynamics of proteins on the surface of graphene, were able to obtain nonspecific binding constant of BSA protein of graphene surface in aqueous solution. The time trace of resonance signal showed that the BSA molecules rapidly saturated by filling the available binding sites on graphene surface. Furthermore, we monitored oxidation of graphene surface under oxygen plasma by tracing the changes of interfacial mass of the graphene controlled by the shifts in Raman spectra. Three regimes were observed the formation of graphene oxide which increases the interfacial mass, the release of carbon dioxide and the removal of small graphene/graphene oxide flakes. Scientific and Technological Research Council of Turkey (TUBITAK) grant no. 110T304, 109T209, Marie Curie International Reintegration Grant (IRG) grant no 256458, Turkish Academy of Science (TUBA-Gebip).

  19. Evaluation of comprehensive two-dimensional gas chromatography with accurate mass time-of-flight mass spectrometry for the metabolic profiling of plant-fungus interaction in Aquilaria malaccensis.

    PubMed

    Wong, Yong Foo; Chin, Sung-Tong; Perlmutter, Patrick; Marriott, Philip J

    2015-03-27

    To explore the possible obligate interactions between the phytopathogenic fungus and Aquilaria malaccensis which result in generation of a complex array of secondary metabolites, we describe a comprehensive two-dimensional gas chromatography (GC × GC) method, coupled to accurate mass time-of-flight mass spectrometry (TOFMS) for the untargeted and comprehensive metabolic profiling of essential oils from naturally infected A. malaccensis trees. A polar/non-polar column configuration was employed, offering an improved separation pattern of components when compared to other column sets. Four different grades of the oils displayed quite different metabolic patterns, suggesting the evolution of a signalling relationship between the host tree (emergence of various phytoalexins) and fungi (activation of biotransformation). In total, ca. 550 peaks/metabolites were detected, of which tentative identification of 155 of these compounds was reported, representing between 20.1% and 53.0% of the total ion count. These are distributed over the chemical families of monoterpenic and sesquiterpenic hydrocarbons, oxygenated monoterpenes and sesquiterpenes (comprised of ketone, aldehyde, oxide, alcohol, lactone, keto-alcohol and diol), norterpenoids, diterpenoids, short chain glycols, carboxylic acids and others. The large number of metabolites detected, combined with the ease with which they are located in the 2D separation space, emphasises the importance of a comprehensive analytical approach for the phytochemical analysis of plant metabolomes. Furthermore, the potential of this methodology in grading agarwood oils by comparing the obtained metabolic profiles (pattern recognition for unique metabolite chemical families) is discussed. The phytocomplexity of the agarwood oils signified the production of a multitude of plant-fungus mediated secondary metabolites as chemical signals for natural ecological communication. To the best of our knowledge, this is the most complete

  20. Bio-Aerosol Detection Using Mass Spectrometry: Public Health Applications

    SciTech Connect

    Ludvigson, Laura D.

    2004-01-01

    I recently spent a summer as an intern at the Lawrence Livermore National Laboratory. I worked on a project involving the real-time, reagentless, single cell detection of aerosolized pathogens using a novel mass spectrometry approach called Bio-Aerosol Mass Spectrometry (BAMS). Based upon preliminary results showing the differentiation capabilities of BAMS, I would like to explore the development and use of this novel detection system in the context of both environmental and clinical sample pathogen detection. I would also like to explore the broader public health applications that a system such as BAMS might have in terms of infectious disease prevention and control. In order to appreciate the potential of this instrument, I will demonstrate the need for better pathogen detection methods, and outline the instrumentation, data analysis and preliminary results that lead me toward a desire to explore this technology further. I will also discuss potential experiments for the future along with possible problems that may be encountered along the way.

  1. Evaluation of hybrids algorithms for mass detection in digitalized mammograms

    NASA Astrophysics Data System (ADS)

    Cordero, José; Garzón Reyes, Johnson

    2011-01-01

    The breast cancer remains being a significant public health problem, the early detection of the lesions can increase the success possibilities of the medical treatments. The mammography is an image modality effective to early diagnosis of abnormalities, where the medical image is obtained of the mammary gland with X-rays of low radiation, this allows detect a tumor or circumscribed mass between two to three years before that it was clinically palpable, and is the only method that until now achieved reducing the mortality by breast cancer. In this paper three hybrids algorithms for circumscribed mass detection on digitalized mammograms are evaluated. In the first stage correspond to a review of the enhancement and segmentation techniques used in the processing of the mammographic images. After a shape filtering was applied to the resulting regions. By mean of a Bayesian filter the survivors regions were processed, where the characteristics vector for the classifier was constructed with few measurements. Later, the implemented algorithms were evaluated by ROC curves, where 40 images were taken for the test, 20 normal images and 20 images with circumscribed lesions. Finally, the advantages and disadvantages in the correct detection of a lesion of every algorithm are discussed.

  2. BlueDetect: An iBeacon-Enabled Scheme for Accurate and Energy-Efficient Indoor-Outdoor Detection and Seamless Location-Based Service.

    PubMed

    Zou, Han; Jiang, Hao; Luo, Yiwen; Zhu, Jianjie; Lu, Xiaoxuan; Xie, Lihua

    2016-02-22

    The location and contextual status (indoor or outdoor) is fundamental and critical information for upper-layer applications, such as activity recognition and location-based services (LBS) for individuals. In addition, optimizations of building management systems (BMS), such as the pre-cooling or heating process of the air-conditioning system according to the human traffic entering or exiting a building, can utilize the information, as well. The emerging mobile devices, which are equipped with various sensors, become a feasible and flexible platform to perform indoor-outdoor (IO) detection. However, power-hungry sensors, such as GPS and WiFi, should be used with caution due to the constrained battery storage on mobile device. We propose BlueDetect: an accurate, fast response and energy-efficient scheme for IO detection and seamless LBS running on the mobile device based on the emerging low-power iBeacon technology. By leveraging the on-broad Bluetooth module and our proposed algorithms, BlueDetect provides a precise IO detection service that can turn on/off on-board power-hungry sensors smartly and automatically, optimize their performances and reduce the power consumption of mobile devices simultaneously. Moreover, seamless positioning and navigation services can be realized by it, especially in a semi-outdoor environment, which cannot be achieved by GPS or an indoor positioning system (IPS) easily. We prototype BlueDetect on Android mobile devices and evaluate its performance comprehensively. The experimental results have validated the superiority of BlueDetect in terms of IO detection accuracy, localization accuracy and energy consumption.

  3. BlueDetect: An iBeacon-Enabled Scheme for Accurate and Energy-Efficient Indoor-Outdoor Detection and Seamless Location-Based Service

    PubMed Central

    Zou, Han; Jiang, Hao; Luo, Yiwen; Zhu, Jianjie; Lu, Xiaoxuan; Xie, Lihua

    2016-01-01

    The location and contextual status (indoor or outdoor) is fundamental and critical information for upper-layer applications, such as activity recognition and location-based services (LBS) for individuals. In addition, optimizations of building management systems (BMS), such as the pre-cooling or heating process of the air-conditioning system according to the human traffic entering or exiting a building, can utilize the information, as well. The emerging mobile devices, which are equipped with various sensors, become a feasible and flexible platform to perform indoor-outdoor (IO) detection. However, power-hungry sensors, such as GPS and WiFi, should be used with caution due to the constrained battery storage on mobile device. We propose BlueDetect: an accurate, fast response and energy-efficient scheme for IO detection and seamless LBS running on the mobile device based on the emerging low-power iBeacon technology. By leveraging the on-broad Bluetooth module and our proposed algorithms, BlueDetect provides a precise IO detection service that can turn on/off on-board power-hungry sensors smartly and automatically, optimize their performances and reduce the power consumption of mobile devices simultaneously. Moreover, seamless positioning and navigation services can be realized by it, especially in a semi-outdoor environment, which cannot be achieved by GPS or an indoor positioning system (IPS) easily. We prototype BlueDetect on Android mobile devices and evaluate its performance comprehensively. The experimental results have validated the superiority of BlueDetect in terms of IO detection accuracy, localization accuracy and energy consumption. PMID:26907295

  4. Computer-aided detection (CAD) of breast masses in mammography: combined detection and ensemble classification

    NASA Astrophysics Data System (ADS)

    Choi, Jae Young; Kim, Dae Hoe; Plataniotis, Konstantinos N.; Ro, Yong Man

    2014-07-01

    We propose a novel computer-aided detection (CAD) framework of breast masses in mammography. To increase detection sensitivity for various types of mammographic masses, we propose the combined use of different detection algorithms. In particular, we develop a region-of-interest combination mechanism that integrates detection information gained from unsupervised and supervised detection algorithms. Also, to significantly reduce the number of false-positive (FP) detections, the new ensemble classification algorithm is developed. Extensive experiments have been conducted on a benchmark mammogram database. Results show that our combined detection approach can considerably improve the detection sensitivity with a small loss of FP rate, compared to representative detection algorithms previously developed for mammographic CAD systems. The proposed ensemble classification solution also has a dramatic impact on the reduction of FP detections; as much as 70% (from 15 to 4.5 per image) at only cost of 4.6% sensitivity loss (from 90.0% to 85.4%). Moreover, our proposed CAD method performs as well or better (70.7% and 80.0% per 1.5 and 3.5 FPs per image respectively) than the results of mammography CAD algorithms previously reported in the literature.

  5. Accurate estimation of entropy in very short physiological time series: the problem of atrial fibrillation detection in implanted ventricular devices.

    PubMed

    Lake, Douglas E; Moorman, J Randall

    2011-01-01

    Entropy estimation is useful but difficult in short time series. For example, automated detection of atrial fibrillation (AF) in very short heart beat interval time series would be useful in patients with cardiac implantable electronic devices that record only from the ventricle. Such devices require efficient algorithms, and the clinical situation demands accuracy. Toward these ends, we optimized the sample entropy measure, which reports the probability that short templates will match with others within the series. We developed general methods for the rational selection of the template length m and the tolerance matching r. The major innovation was to allow r to vary so that sufficient matches are found for confident entropy estimation, with conversion of the final probability to a density by dividing by the matching region volume, 2r(m). The optimized sample entropy estimate and the mean heart beat interval each contributed to accurate detection of AF in as few as 12 heartbeats. The final algorithm, called the coefficient of sample entropy (COSEn), was developed using the canonical MIT-BIH database and validated in a new and much larger set of consecutive Holter monitor recordings from the University of Virginia. In patients over the age of 40 yr old, COSEn has high degrees of accuracy in distinguishing AF from normal sinus rhythm in 12-beat calculations performed hourly. The most common errors are atrial or ventricular ectopy, which increase entropy despite sinus rhythm, and atrial flutter, which can have low or high entropy states depending on dynamics of atrioventricular conduction.

  6. Charge detection mass spectrometry: Instrumentation & applications to viruses

    NASA Astrophysics Data System (ADS)

    Pierson, Elizabeth E.

    For over three decades, electrospray ionization (ESI) has been used to ionize non-covalent complexes and subsequently transfer the intact ion into the gas phase for mass spectrometry (MS) analysis. ESI generates a distribution of multiple charged ions, resulting in an m/z spectrum comprised of a series of peaks, known as a charge state envelope. To obtain mass information, the number of charges for each peak must be deduced. For smaller biological analytes like peptides, the charge states are sufficiently resolved and this process is straightforward. For macromolecular complexes exceeding ~100 kDa, this process is complicated by the broadening and shifting of charge states due to incomplete desolvation, salt adduction, and inherent mass heterogeneity. As the analyte mass approaches the MDa regime, the m/z spectrum is often comprised of a broad distribution of unresolved charge states. In such cases, mass determination is precluded. Charge detection mass spectrometry (CDMS) is an emerging MS technique for determining the masses of heterogeneous, macromolecular complexes. In CDMS, the m/z and z of single ions are measured concurrently so that mass is easily calculated. With this approach, deconvolution of an m/z spectrum is unnecessary. This measurement is carried out by passing macroions through a conductive cylinder. The induced image charge on the cylindrical detector provides information about m/z and z: the m/z is related to its time-of-flight through the detector, and the z is related to the intensity of the image charge. We have applied CDMS to study the self-assembly of virus capsids. Late-stage intermediates in the assembly of hepatitis B virus, a devastating human pathogen, have been identified. This is the first time that such intermediates have been detected and represent a significant advancement towards understanding virus capsid assembly. CDMS has also been used to identify oversized, non-icosahedral polymorphs in the assembly of woodchuck hepatitis

  7. Three-dimensional accurate detection of lung emphysema in rats using ultra-short and zero echo time MRI.

    PubMed

    Bianchi, Andrea; Tibiletti, Marta; Kjørstad, Åsmund; Birk, Gerald; Schad, Lothar R; Stierstorfer, Birgit; Rasche, Volker; Stiller, Detlef

    2015-11-01

    Emphysema is a life-threatening pathology that causes irreversible destruction of alveolar walls. In vivo imaging techniques play a fundamental role in the early non-invasive pre-clinical and clinical detection and longitudinal follow-up of this pathology. In the present study, we aimed to evaluate the feasibility of using high resolution radial three-dimensional (3D) zero echo time (ZTE) and 3D ultra-short echo time (UTE) MRI to accurately detect lung pathomorphological changes in a rodent model of emphysema.Porcine pancreas elastase (PPE) was intratracheally administered to the rats to produce the emphysematous changes. 3D ZTE MRI, low and high definition 3D UTE MRI and micro-computed tomography images were acquired 4 weeks after the PPE challenge. Signal-to-noise ratios (SNRs) were measured in PPE-treated and control rats. T2* values were computed from low definition 3D UTE MRI. Histomorphometric measurements were made after euthanizing the animals. Both ZTE and UTE MR images showed a significant decrease in the SNR measured in PPE-treated lungs compared with controls, due to the pathomorphological changes taking place in the challenged lungs. A significant decrease in T2* values in PPE-challenged animals compared with controls was measured using UTE MRI. Histomorphometric measurements showed a significant increase in the mean linear intercept in PPE-treated lungs. UTE yielded significantly higher SNR compared with ZTE (14% and 30% higher in PPE-treated and non-PPE-treated lungs, respectively).This study showed that optimized 3D radial UTE and ZTE MRI can provide lung images of excellent quality, with high isotropic spatial resolution (400 µm) and SNR in parenchymal tissue (>25) and negligible motion artifacts in freely breathing animals. These techniques were shown to be useful non-invasive instruments to accurately and reliably detect the pathomorphological alterations taking place in emphysematous lungs, without incurring the risks of cumulative radiation

  8. Detecting and Measuring the Masses of Isolated Black Holes and Neutron Stars through Astrometric Microlensing

    NASA Astrophysics Data System (ADS)

    Sahu, Kailash

    2011-10-01

    We propose a 3-year program of monitoring of 12 fields in the Galactic bulge, containing a total of 1.5 million stars down to V=28. Our primary aim is to detect microlensing events caused by non-luminous isolated black holes {BHs} and neutron stars {NSs} in the Galactic disk and bulge.The unique capability of HST imaging for microlensing observations is the addition of high-precision astrometry, allowing detection of the astrometric shift of the source during the event. Combined with the lens parallax, provided by the HST event light curve, the astrometric shift provides a direct measurement of the lens mass. We will detect 120 microlensing events, of which 45% will show astrometric deflections, leading to direct determinations of the lens masses. Of these, about 18 lenses are expected to be BHs and 14 of them NSs, along with about 22 events due to main-sequence stars.To date, BH and NS masses have been directly measured only in binaries; no isolated BH has been detected unambiguously within our Galaxy. A survey of the scope proposed here is the only means available at present for measuring the mass function of isolated BHs and NSs, and moreover one that is normalized to that of luminous stars. The results will provide a quantitative estimate of the mass content in the form of stellar remnants in the young Galactic disk and old bulge, and important constraints on SN/GRB explosion mechanisms that produce NSs and BHs.Our data will also be useful for other investigations, including a more accurate determination of the microlensing optical depth, faint variable stars, bulge proper motions and kinematics, and a deep luminosity function of the disk and bulge stars.

  9. Detecting and Measuring the Masses of Isolated Black Holes and Neutron Stars through Astrometric Microlensing

    NASA Astrophysics Data System (ADS)

    Sahu, Kailash

    2012-10-01

    We propose a 3-year program of monitoring of 12 fields in the Galactic bulge, containing a total of 1.5 million stars down to V=28. Our primary aim is to detect microlensing events caused by non-luminous isolated black holes {BHs} and neutron stars {NSs} in the Galactic disk and bulge.The unique capability of HST imaging for microlensing observations is the addition of high-precision astrometry, allowing detection of the astrometric shift of the source during the event. Combined with the lens parallax, provided by the HST event light curve, the astrometric shift provides a direct measurement of the lens mass. We will detect 120 microlensing events, of which 45% will show astrometric deflections, leading to direct determinations of the lens masses. Of these, about 18 lenses are expected to be BHs and 14 of them NSs, along with about 22 events due to main-sequence stars.To date, BH and NS masses have been directly measured only in binaries; no isolated BH has been detected unambiguously within our Galaxy. A survey of the scope proposed here is the only means available at present for measuring the mass function of isolated BHs and NSs, and moreover one that is normalized to that of luminous stars. The results will provide a quantitative estimate of the mass content in the form of stellar remnants in the young Galactic disk and old bulge, and important constraints on SN/GRB explosion mechanisms that produce NSs and BHs.Our data will also be useful for other investigations, including a more accurate determination of the microlensing optical depth, faint variable stars, bulge proper motions and kinematics, and a deep luminosity function of the disk and bulge stars.

  10. Detecting and Measuring the Masses of Isolated Black Holes and Neutron Stars through Astrometric Microlensing

    NASA Astrophysics Data System (ADS)

    Sahu, Kailash

    2013-10-01

    We propose a 3-year program of monitoring of 12 fields in the Galactic bulge, containing a total of 1.5 million stars down to V=28. Our primary aim is to detect microlensing events caused by non-luminous isolated black holes {BHs} and neutron stars {NSs} in the Galactic disk and bulge.The unique capability of HST imaging for microlensing observations is the addition of high-precision astrometry, allowing detection of the astrometric shift of the source during the event. Combined with the lens parallax, provided by the HST event light curve, the astrometric shift provides a direct measurement of the lens mass. We will detect 120 microlensing events, of which 45% will show astrometric deflections, leading to direct determinations of the lens masses. Of these, about 18 lenses are expected to be BHs and 14 of them NSs, along with about 22 events due to main-sequence stars.To date, BH and NS masses have been directly measured only in binaries; no isolated BH has been detected unambiguously within our Galaxy. A survey of the scope proposed here is the only means available at present for measuring the mass function of isolated BHs and NSs, and moreover one that is normalized to that of luminous stars. The results will provide a quantitative estimate of the mass content in the form of stellar remnants in the young Galactic disk and old bulge, and important constraints on SN/GRB explosion mechanisms that produce NSs and BHs.Our data will also be useful for other investigations, including a more accurate determination of the microlensing optical depth, faint variable stars, bulge proper motions and kinematics, and a deep luminosity function of the disk and bulge stars.

  11. A High Resolution/Accurate Mass (HRAM) Data-Dependent MS3 Neutral Loss Screening, Classification, and Relative Quantitation Methodology for Carbonyl Compounds in Saliva

    NASA Astrophysics Data System (ADS)

    Dator, Romel; Carrà, Andrea; Maertens, Laura; Guidolin, Valeria; Villalta, Peter W.; Balbo, Silvia

    2016-10-01

    Reactive carbonyl compounds (RCCs) are ubiquitous in the environment and are generated endogenously as a result of various physiological and pathological processes. These compounds can react with biological molecules inducing deleterious processes believed to be at the basis of their toxic effects. Several of these compounds are implicated in neurotoxic processes, aging disorders, and cancer. Therefore, a method characterizing exposures to these chemicals will provide insights into how they may influence overall health and contribute to disease pathogenesis. Here, we have developed a high resolution accurate mass (HRAM) screening strategy allowing simultaneous identification and relative quantitation of DNPH-derivatized carbonyls in human biological fluids. The screening strategy involves the diagnostic neutral loss of hydroxyl radical triggering MS3 fragmentation, which is only observed in positive ionization mode of DNPH-derivatized carbonyls. Unique fragmentation pathways were used to develop a classification scheme for characterizing known and unanticipated/unknown carbonyl compounds present in saliva. Furthermore, a relative quantitation strategy was implemented to assess variations in the levels of carbonyl compounds before and after exposure using deuterated d 3 -DNPH. This relative quantitation method was tested on human samples before and after exposure to specific amounts of alcohol. The nano-electrospray ionization (nano-ESI) in positive mode afforded excellent sensitivity with detection limits on-column in the high-attomole levels. To the best of our knowledge, this is the first report of a method using HRAM neutral loss screening of carbonyl compounds. In addition, the method allows simultaneous characterization and relative quantitation of DNPH-derivatized compounds using nano-ESI in positive mode.

  12. Limits on detectability of mass loss from cool dwarfs

    NASA Technical Reports Server (NTRS)

    Mullan, D. J.; Doyle, J. G.; Redman, R. O.; Mathioudakis, M.

    1992-01-01

    Recent spectroscopic evidence supports the theoretical expectation that certain cool dwarfs may have stellar winds with M-dot values several orders of magnitude larger than the solar rate. For large enough values of M-dot, the emission from the wind is expected to have a spectrum which, at low enough frequencies, becomes a power law, S(v) about v exp alpha with alpha about 0.7. Data from IRAS and VLA suggest that such a spectrum may in fact occur in certain M dwarfs: a key test of the wind spectrum would be provided if the stars could be detected at lambda about 1 mm. We show that the M-dot required to ensure power-law emission is a few times 10 exp -10 solar mass/yr. With M-dot of this order, fluxes at lambda about 1 mm would be tens of mJy. Using the James Clerk Maxwell Telescope, we have tested this prediction on several stars: the data are suggestive but are near the limits of detection. Confirmation of our estimates will be important for evolution and for interstellar medium (ISM) physics: if even a few percent of all M dwarfs are losing mass at the above rates, the mass balance of the ISM will be dominated by M dwarfs.

  13. Can accelerometers detect mass variations in Amazonian trees?

    NASA Astrophysics Data System (ADS)

    van Emmerik, Tim; Steele-Dunne, Susan; Gentine, Pierre; Guerin, Marceau; Hut, Rolf; Oliveira, Rafael; van de Giesen, Nick

    2016-04-01

    The mass of trees is influenced by physiological processes within the tree (e.g. transpiration and root water uptake), as well as external loads (e.g. intercepted precipitation). Recent studies have found diurnal variations in radar backscatter over vegetated areas, which might be attributed to mass changes of the vegetation layer. Field measurements are required to study the driving processes. This study aims to use measured three-dimensional displacement and acceleration of trees, to detect and quantify their diurnal (bio)mass variations. Accelerometers and dendrometers were installed on seven different tree species in the Amazon rainforest. Trees were selected to cover a broad range of wood density. Using spectral analysis, the governing frequencies in the acceleration time series were found. The governing frequencies showed a diurnal pattern, as well as a change during precipitation events. Our results suggest that we can separate and potentially quantify tree mass changes due to (1) internal water redistribution and (2) intercepted precipitation. This will allow further investigation of the effect of precipitation and water stress on tree dynamics in forest canopies.

  14. Assessment of mass detection performance in contrast enhanced digital mammography

    NASA Astrophysics Data System (ADS)

    Carton, Ann-Katherine; de Carvalho, Pablo M.; Li, Zhijin; Dromain, Clarisse; Muller, Serge

    2015-03-01

    We address the detectability of contrast-agent enhancing masses for contrast-agent enhanced spectral mammography (CESM), a dual-energy technique providing functional projection images of breast tissue perfusion and vascularity using simulated CESM images. First, the realism of simulated CESM images from anthropomorphic breast software phantoms generated with a software X-ray imaging platform was validated. Breast texture was characterized by power-law coefficients calculated in data sets of real clinical and simulated images. We also performed a 2-alternative forced choice (2-AFC) psychophysical experiment whereby simulated and real images were presented side-by-side to an experienced radiologist to test if real images could be distinguished from the simulated images. It was found that texture in our simulated CESM images has a fairly realistic appearance. Next, the relative performance of human readers and previously developed mathematical observers was assessed for the detection of iodine-enhancing mass lesions containing different contrast agent concentrations. A four alternative-forced-choice (4 AFC) task was designed; the task for the model and human observer was to detect which one of the four simulated DE recombined images contained an iodineenhancing mass. Our results showed that the NPW and NPWE models largely outperform human performance. After introduction of an internal noise component, both observers approached human performance. The CHO observer performs slightly worse than the average human observer. There is still work to be done in improving model observers as predictors of human-observer performance. Larger trials could also improve our test statistics. We hope that in the future, this framework of software breast phantoms, virtual image acquisition and processing, and mathematical observers can be beneficial to optimize CESM imaging techniques.

  15. Accurate mass measurements for the confirmation of Sudan azo-dyes in hot chilli products by capillary liquid chromatography-electrospray tandem quadrupole orthogonal-acceleration time of flight mass spectrometry.

    PubMed

    Calbiani, F; Careri, M; Elviri, L; Mangia, A; Zagnoni, I

    2004-11-26

    The potential of capillary liquid chromatography (microLC)-quadrupole/time-of-flight mass spectrometry (Q-TOF MS) for the confirmation of Sudan I, II, III and IV azo-dyes as contaminants in hot-chilli food products was demonstrated. Using the microLC-electrospray ionization (ESI)-Q-TOF MS technique, accurate mass measurements of Sudan dyes were performed both on standard solutions and on matrices. Precision of exact mass measurements was calculated taking into account the ion statistics according to the number of ion sampled in the measurement. Accurate mass measurements by MS/MS experiments were performed to elucidate azo-dye fragmentation patterns. Selectivity of the microLC-Q-TOF MS method was assessed by evaluating matrix suppression effects by pre-column injection of blank hot chilli tomato sauce matrices. The results were compared with those obtained on a LC-triple quadrupole-MS system. Confirmation of Sudan I present in hot chill tomato sauce samples was obtained by accurate mass measurements. In real samples trueness of exact mass measurements was estimated to be 1.6 and 4.4 ppm when calculated for hot chilli tomato sauce and hot chilli tomato with cheese sauce samples, respectively; precision was calculated around 9.5 ppm.

  16. Detection of Adult Beetles Inside the Stored Wheat Mass Based on Their Acoustic Emissions.

    PubMed

    Eliopoulos, P A; Potamitis, I; Kontodimas, D Ch; Givropoulou, E G

    2015-12-01

    The efficacy of bioacoustics in detecting the presence of adult beetles inside the grain mass was evaluated in the laboratory. A piezoelectric sensor and a portable acoustic emission amplifier connected with a computer were used. Adults of the most common beetle pests of stored wheat have been detected in varying population densities (0.1, 0.5, 1, and 2 adults per kilogram of wheat). The verification of the presence of the insect individuals was achieved through automated signal parameterization and classification. We tried out two different ways to detect impulses: 1) by applying a Hilbert transform on the audio recording and 2) by subtracting a noise estimation of the recording from the spectral content of the recording, thus allowing the frequency content of possible impulses to emerge. Prediction for infestation was rated falsely negative in 60-74%, 48-60%, 0-28%, and 0-4% of the cases when actual population density was 0.1, 0.5, 1, and 2 adults per kilogram, respectively, irrespective of pest species. No significant differences were recorded in positive predictions among different species in almost all cases. The system was very accurate (72-100%) in detecting 1 or 2 insects per kilogram of hard wheat grain, which is the standard threshold for classifying a grain mass "clean" or "infested." Our findings are discussed on the basis of enhancing the use of bioacoustics in stored-product IPM framework.

  17. Automated Detection of coronal mass ejections in three-dimensions using multi-viewpoint observations

    NASA Astrophysics Data System (ADS)

    Hutton, Joseph; Morgan, Huw

    2016-10-01

    A new, automated method of detecting Solar Wind transients such as Coronal Mass Ejections (CMEs) in three dimensions for the LASCO C2 and STEREO COR2 coronagraphs is presented. By triangulating isolated CME signal from the three coronagraphs over a sliding window of five hours, the most likely region through which CMEs pass at 5 solar radii is identified. The centre and size of the region gives the most likely direction of propagation and angular extent. The Automated CME Triangulation (ACT) method is tested extensively using a series of synthetic CME images created using a flux rope density model, and on a sample of real coronagraph data; including Halo CMEs. The accuracy of the detection remains acceptable regardless of CME position relative to the observer, the relative separation of the three observers, and even through the loss of one coronagraph. By comparing the detection results with the input parameters of the synthetic CMEs, and the low coronal sources of the real CMEs, it is found that the detection is on average accurate to within 7.14 degrees. All current CME catalogues (CDAW, CACTus, SEEDS, ARTEMIS and CORIMP) rely on plane-of-sky measurements for key parameters such as height and velocity. Estimating the true geometry using the new method gains considerable accuracy for kinematics and mass/density. The results of the new method will be incorporated into the CORIMP database in the near future, enabling improved space weather diagnostics and forecasting.

  18. Detection of Large Ions in Time-of-Flight Mass Spectrometry: Effects of Ion Mass and Acceleration Voltage on Microchannel Plate Detector Response

    NASA Astrophysics Data System (ADS)

    Liu, Ranran; Li, Qiyao; Smith, Lloyd M.

    2014-08-01

    In time-of-flight mass spectrometry (TOF-MS), ion detection is typically accomplished by the generation and amplification of secondary electrons produced by ions colliding with a microchannel plate (MCP) detector. Here, the response of an MCP detector as a function of ion mass and acceleration voltage is characterized, for singly charged peptide/protein ions ranging from 1 to 290 kDa in mass, and for acceleration voltages from 5 to 25 kV. A nondestructive inductive charge detector (ICD) employed in parallel with MCP detection provides a reliable reference signal to allow accurate calibration of the MCP response. MCP detection efficiencies were very close to unity for smaller ions at high acceleration voltages (e.g., angiotensin, 1046.5 Da, at 25 kV acceleration voltage), but decreased to ~11% for the largest ions examined (immunoglobulin G (IgG) dimer, 290 kDa) even at the highest acceleration voltage employed (25 kV). The secondary electron yield γ (average number of electrons produced per ion collision) is found to be proportional to mv3.1 (m: ion mass, v: ion velocity) over the entire mass range examined, and inversely proportional to the square root of m in TOF-MS analysis. The results indicate that although MCP detectors indeed offer superlative performance in the detection of smaller peptide/protein species, their performance does fall off substantially for larger proteins, particularly under conditions of low acceleration voltage.

  19. Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data.

    PubMed

    Zhu, Mingshe; Ma, Li; Zhang, Donglu; Ray, Kenneth; Zhao, Weiping; Humphreys, W Griffith; Skiles, Gary; Sanders, Mark; Zhang, Haiying

    2006-10-01

    An improved mass defect filter (MDF) method employing both drug and core structure filter templates was applied to the processing of high resolution liquid chromatography/mass spectrometry (LC/MS) data for the detection and structural characterization of oxidative metabolites with mass defects similar to or significantly different from those of the parent drugs. The effectiveness of this approach was investigated using nefazodone as a model compound, which is known to undergo multiple common and uncommon oxidative reactions. Through the selective removal of all ions that fall outside of the preset filter windows, the MDF process facilitated the detection of all 14 nefazodone metabolites presented in human liver microsomes in the MDF-filtered chromatograms. The capability of the MDF approach to remove endogenous interferences from more complex biological matrices was examined by analyzing omeprazole metabolites in human plasma. The unprocessed mass chromatogram showed no distinct indication of metabolite peaks; however, after MDF processing, the metabolite peaks were easily identified in the chromatogram. Compared with precursor ion scan and neutral loss scan techniques, the MDF approach was shown to be more effective for the detection of metabolites in a complex matrix. The comprehensive metabolite detection capability of the MDF approach, together with accurate mass determination, makes high resolution LC/MS a useful tool for the screening and identification of both common and uncommon drug metabolites.

  20. Detection of large ions in time-of-flight mass spectrometry: effects of ion mass and acceleration voltage on microchannel plate detector response.

    PubMed

    Liu, Ranran; Li, Qiyao; Smith, Lloyd M

    2014-08-01

    In time-of-flight mass spectrometry (TOF-MS), ion detection is typically accomplished by the generation and amplification of secondary electrons produced by ions colliding with a microchannel plate (MCP) detector. Here, the response of an MCP detector as a function of ion mass and acceleration voltage is characterized, for singly charged peptide/protein ions ranging from 1 to 290 kDa in mass, and for acceleration voltages from 5 to 25 kV. A nondestructive inductive charge detector (ICD) employed in parallel with MCP detection provides a reliable reference signal to allow accurate calibration of the MCP response. MCP detection efficiencies were very close to unity for smaller ions at high acceleration voltages (e.g., angiotensin, 1046.5 Da, at 25 kV acceleration voltage), but decreased to ~11% for the largest ions examined (immunoglobulin G (IgG) dimer, 290 kDa) even at the highest acceleration voltage employed (25 kV). The secondary electron yield γ (average number of electrons produced per ion collision) is found to be proportional to mv(3.1) (m: ion mass, v: ion velocity) over the entire mass range examined, and inversely proportional to the square root of m in TOF-MS analysis. The results indicate that although MCP detectors indeed offer superlative performance in the detection of smaller peptide/protein species, their performance does fall off substantially for larger proteins, particularly under conditions of low acceleration voltage.

  1. Defining and Detecting Complex Peak Relationships in Mass Spectral Data: The Mz.unity Algorithm.

    PubMed

    Mahieu, Nathaniel G; Spalding, Jonathan L; Gelman, Susan J; Patti, Gary J

    2016-09-20

    Analysis of a single analyte by mass spectrometry can result in the detection of more than 100 degenerate peaks. These degenerate peaks complicate spectral interpretation and are challenging to annotate. In mass spectrometry-based metabolomics, this degeneracy leads to inflated false discovery rates, data sets containing an order of magnitude more features than analytes, and an inefficient use of resources during data analysis. Although software has been introduced to annotate spectral degeneracy, current approaches are unable to represent several important classes of peak relationships. These include heterodimers and higher complex adducts, distal fragments, relationships between peaks in different polarities, and complex adducts between features and background peaks. Here we outline sources of peak degeneracy in mass spectra that are not annotated by current approaches and introduce a software package called mz.unity to detect these relationships in accurate mass data. Using mz.unity, we find that data sets contain many more complex relationships than we anticipated. Examples include the adduct of glutamate and nicotinamide adenine dinucleotide (NAD), fragments of NAD detected in the same or opposite polarities, and the adduct of glutamate and a background peak. Further, the complex relationships we identify show that several assumptions commonly made when interpreting mass spectral degeneracy do not hold in general. These contributions provide new tools and insight to aid in the annotation of complex spectral relationships and provide a foundation for improved data set identification. Mz.unity is an R package and is freely available at https://github.com/nathaniel-mahieu/mz.unity as well as our laboratory Web site http://pattilab.wustl.edu/software/ .

  2. A finite rate of innovation algorithm for fast and accurate spike detection from two-photon calcium imaging

    NASA Astrophysics Data System (ADS)

    Oñativia, Jon; Schultz, Simon R.; Dragotti, Pier Luigi

    2013-08-01

    Objective. Inferring the times of sequences of action potentials (APs) (spike trains) from neurophysiological data is a key problem in computational neuroscience. The detection of APs from two-photon imaging of calcium signals offers certain advantages over traditional electrophysiological approaches, as up to thousands of spatially and immunohistochemically defined neurons can be recorded simultaneously. However, due to noise, dye buffering and the limited sampling rates in common microscopy configurations, accurate detection of APs from calcium time series has proved to be a difficult problem. Approach. Here we introduce a novel approach to the problem making use of finite rate of innovation (FRI) theory (Vetterli et al 2002 IEEE Trans. Signal Process. 50 1417-28). For calcium transients well fit by a single exponential, the problem is reduced to reconstructing a stream of decaying exponentials. Signals made of a combination of exponentially decaying functions with different onset times are a subclass of FRI signals, for which much theory has recently been developed by the signal processing community. Main results. We demonstrate for the first time the use of FRI theory to retrieve the timing of APs from calcium transient time series. The final algorithm is fast, non-iterative and parallelizable. Spike inference can be performed in real-time for a population of neurons and does not require any training phase or learning to initialize parameters. Significance. The algorithm has been tested with both real data (obtained by simultaneous electrophysiology and multiphoton imaging of calcium signals in cerebellar Purkinje cell dendrites), and surrogate data, and outperforms several recently proposed methods for spike train inference from calcium imaging data.

  3. Aptamer-conjugated live human immune cell based biosensors for the accurate detection of C-reactive protein

    PubMed Central

    Hwang, Jangsun; Seo, Youngmin; Jo, Yeonho; Son, Jaewoo; Choi, Jonghoon

    2016-01-01

    C-reactive protein (CRP) is a pentameric protein that is present in the bloodstream during inflammatory events, e.g., liver failure, leukemia, and/or bacterial infection. The level of CRP indicates the progress and prognosis of certain diseases; it is therefore necessary to measure CRP levels in the blood accurately. The normal concentration of CRP is reported to be 1–3 mg/L. Inflammatory events increase the level of CRP by up to 500 times; accordingly, CRP is a biomarker of acute inflammatory disease. In this study, we demonstrated the preparation of DNA aptamer-conjugated peripheral blood mononuclear cells (Apt-PBMCs) that specifically capture human CRP. Live PBMCs functionalized with aptamers could detect different levels of human CRP by producing immune complexes with reporter antibody. The binding behavior of Apt-PBMCs toward highly concentrated CRP sites was also investigated. The immune responses of Apt-PBMCs were evaluated by measuring TNF-alpha secretion after stimulating the PBMCs with lipopolysaccharides. In summary, engineered Apt-PBMCs have potential applications as live cell based biosensors and for in vitro tracing of CRP secretion sites. PMID:27708384

  4. Evaluation of a pan-serotype point-of-care rapid diagnostic assay for accurate detection of acute dengue infection.

    PubMed

    Vivek, Rosario; Ahamed, Syed Fazil; Kotabagi, Shalini; Chandele, Anmol; Khanna, Ira; Khanna, Navin; Nayak, Kaustuv; Dias, Mary; Kaja, Murali-Krishna; Shet, Anita

    2017-03-01

    The catastrophic rise in dengue infections in India and globally has created a need for an accurate, validated low-cost rapid diagnostic test (RDT) for dengue. We prospectively evaluated the diagnostic performance of NS1/IgM RDT (dengue day 1) using 211 samples from a pediatric dengue cohort representing all 4 serotypes in southern India. The dengue-positive panel consisted of 179 dengue real-time polymerase chain reaction (RT-PCR) positive samples from symptomatic children. The dengue-negative panel consisted of 32 samples from dengue-negative febrile children and asymptomatic individuals that were negative for dengue RT-PCR/NS1 enzyme-linked immunosorbent assay/IgM/IgG. NS1/IgM RDT sensitivity was 89.4% and specificity was 93.8%. The NS1/IgM RDT showed high sensitivity throughout the acute phase of illness, in primary and secondary infections, in different severity groups, and detected all 4 dengue serotypes, including coinfections. This NS1/IgM RDT is a useful point-of-care assay for rapid and reliable diagnosis of acute dengue and an excellent surveillance tool in our battle against dengue.

  5. Aptamer-conjugated live human immune cell based biosensors for the accurate detection of C-reactive protein

    NASA Astrophysics Data System (ADS)

    Hwang, Jangsun; Seo, Youngmin; Jo, Yeonho; Son, Jaewoo; Choi, Jonghoon

    2016-10-01

    C-reactive protein (CRP) is a pentameric protein that is present in the bloodstream during inflammatory events, e.g., liver failure, leukemia, and/or bacterial infection. The level of CRP indicates the progress and prognosis of certain diseases; it is therefore necessary to measure CRP levels in the blood accurately. The normal concentration of CRP is reported to be 1–3 mg/L. Inflammatory events increase the level of CRP by up to 500 times; accordingly, CRP is a biomarker of acute inflammatory disease. In this study, we demonstrated the preparation of DNA aptamer-conjugated peripheral blood mononuclear cells (Apt-PBMCs) that specifically capture human CRP. Live PBMCs functionalized with aptamers could detect different levels of human CRP by producing immune complexes with reporter antibody. The binding behavior of Apt-PBMCs toward highly concentrated CRP sites was also investigated. The immune responses of Apt-PBMCs were evaluated by measuring TNF-alpha secretion after stimulating the PBMCs with lipopolysaccharides. In summary, engineered Apt-PBMCs have potential applications as live cell based biosensors and for in vitro tracing of CRP secretion sites.

  6. Fiber-optic immuno-biosensor for rapid and accurate detection of nerve growth factor in human blood.

    PubMed

    Tang, Liang; Cha, Yong-Mei; Li, Hongmei; Chen, Peng-Sheng; Lin, Shien-Fong

    2006-01-01

    An accurate and rapid assay of cardiac nerve growth factor (NGF) levels in blood can provide physicians with critical information regarding myocardial injury and neural remodeling in cardiac tissues to identify patients at risk of impending heart attack, thereby enabling them to receive appropriate lifesaving treatment more quickly. Currently used assay methods, such as enzyme-linked immunosorbent assay (ELISA), are usually time-consuming (hours to days), expensive and technically complicated. In this paper, we described the development and clinical study of a rapid and sensitive method for detection and quantification of NGF in human blood plasma. This method utilizes a fiber-optic, immuno-biosensing system which performs a fluorophore-mediated sandwich immunoassay on the surface of an optical fiber. Physiological concentrations of NGF could be quantified in both buffer and human blood plasma samples within 5 minutes. The NGF concentrations determined by the fiberoptic sensor were comparable to those by the gold standard, ELISA. Preliminary study of NGF assay in cardiac patient plasma samples showed a great potential of the fiber-optic sensor as a rapid diagnostic and prognostic tool in clinical applications.

  7. Rapid and Accurate Identification of Animal Species in Natural Leather Goods by Liquid Chromatography/Mass Spectrometry

    PubMed Central

    Izuchi, Yukari; Takashima, Tsuneo; Hatano, Naoya

    2016-01-01

    The demand for leather goods has grown globally in recent years. Industry revenue is forecast to reach $91.2 billion by 2018. There is an ongoing labelling problem in the leather items market, in that it is currently impossible to identify the species that a given piece of leather is derived from. To address this issue, we developed a rapid and simple method for the specific identification of leather derived from cattle, horses, pigs, sheep, goats, and deer by analysing peptides produced by the trypsin-digestion of proteins contained in leather goods using liquid chromatography/mass spectrometry. We determined species-specific amino acid sequences by liquid chromatography/tandem mass spectrometry analysis using the Mascot software program and demonstrated that collagen α-1(I), collagen α-2(I), and collagen α-1(III) from the dermal layer of the skin are particularly useful in species identification. PMID:27313979

  8. CLASH-VLT: Constraints on the Dark Matter Equation of State from Accurate Measurements of Galaxy Cluster Mass Profiles

    NASA Astrophysics Data System (ADS)

    Sartoris, Barbara; Biviano, Andrea; Rosati, Piero; Borgani, Stefano; Umetsu, Keiichi; Bartelmann, Matthias; Girardi, Marisa; Grillo, Claudio; Lemze, Doron; Zitrin, Adi; Balestra, Italo; Mercurio, Amata; Nonino, Mario; Postman, Marc; Czakon, Nicole; Bradley, Larry; Broadhurst, Tom; Coe, Dan; Medezinski, Elinor; Melchior, Peter; Meneghetti, Massimo; Merten, Julian; Annunziatella, Marianna; Benitez, Narciso; Czoske, Oliver; Donahue, Megan; Ettori, Stefano; Ford, Holland; Fritz, Alexander; Kelson, Dan; Koekemoer, Anton; Kuchner, Ulrike; Lombardi, Marco; Maier, Christian; Moustakas, Leonidas A.; Munari, Emiliano; Presotto, Valentina; Scodeggio, Marco; Seitz, Stella; Tozzi, Paolo; Zheng, Wei; Ziegler, Bodo

    2014-03-01

    A pressureless scenario for the dark matter (DM) fluid is a widely adopted hypothesis, despite the absence of direct observational evidence. According to general relativity, the total mass-energy content of a system shapes the gravitational potential well, but different test particles perceive this potential in different ways depending on their properties. Cluster galaxy velocities, being Ltc, depend solely on the gravitational potential, whereas photon trajectories reflect the contributions from the gravitational potential plus a relativistic-pressure term that depends on the cluster mass. We exploit this phenomenon to constrain the equation of state (EoS) parameter of the fluid, primarily DM, contained in galaxy clusters. We use complementary information provided by the kinematic and lensing mass profiles of the galaxy cluster MACS 1206.2-0847 at z = 0.44, as obtained in an extensive imaging and spectroscopic campaign within the Cluster Lensing And Supernova survey with Hubble. The unprecedented high quality of our data set and the properties of this cluster are well suited to determine the EoS parameter of the cluster fluid. Since baryons contribute at most 15% to the total mass in clusters and their pressure is negligible, the EoS parameter we derive describes the behavior of the DM fluid. We obtain the most stringent constraint on the DM EoS parameter to date, w = (pr + 2 pt )/(3 c 2ρ) = 0.00 ± 0.15 (stat) ± 0.08 (syst), averaged over the radial range 0.5 Mpc <= r <= r 200, where pr and pt are the radial and tangential pressure, and ρ is the density. We plan to further improve our constraint by applying the same procedure to all clusters from the ongoing Cluster Lensing And Supernova Survey with Hubble-Very Large Telescope program.

  9. A Mass Spectrometric Analysis Method Based on PPCA and SVM for Early Detection of Ovarian Cancer.

    PubMed

    Wu, Jiang; Ji, Yanju; Zhao, Ling; Ji, Mengying; Ye, Zhuang; Li, Suyi

    2016-01-01

    Background. Surfaced-enhanced laser desorption-ionization-time of flight mass spectrometry (SELDI-TOF-MS) technology plays an important role in the early diagnosis of ovarian cancer. However, the raw MS data is highly dimensional and redundant. Therefore, it is necessary to study rapid and accurate detection methods from the massive MS data. Methods. The clinical data set used in the experiments for early cancer detection consisted of 216 SELDI-TOF-MS samples. An MS analysis method based on probabilistic principal components analysis (PPCA) and support vector machine (SVM) was proposed and applied to the ovarian cancer early classification in the data set. Additionally, by the same data set, we also established a traditional PCA-SVM model. Finally we compared the two models in detection accuracy, specificity, and sensitivity. Results. Using independent training and testing experiments 10 times to evaluate the ovarian cancer detection models, the average prediction accuracy, sensitivity, and specificity of the PCA-SVM model were 83.34%, 82.70%, and 83.88%, respectively. In contrast, those of the PPCA-SVM model were 90.80%, 92.98%, and 88.97%, respectively. Conclusions. The PPCA-SVM model had better detection performance. And the model combined with the SELDI-TOF-MS technology had a prospect in early clinical detection and diagnosis of ovarian cancer.

  10. A Mass Spectrometric Analysis Method Based on PPCA and SVM for Early Detection of Ovarian Cancer

    PubMed Central

    Wu, Jiang; Ji, Mengying; Ye, Zhuang

    2016-01-01

    Background. Surfaced-enhanced laser desorption-ionization-time of flight mass spectrometry (SELDI-TOF-MS) technology plays an important role in the early diagnosis of ovarian cancer. However, the raw MS data is highly dimensional and redundant. Therefore, it is necessary to study rapid and accurate detection methods from the massive MS data. Methods. The clinical data set used in the experiments for early cancer detection consisted of 216 SELDI-TOF-MS samples. An MS analysis method based on probabilistic principal components analysis (PPCA) and support vector machine (SVM) was proposed and applied to the ovarian cancer early classification in the data set. Additionally, by the same data set, we also established a traditional PCA-SVM model. Finally we compared the two models in detection accuracy, specificity, and sensitivity. Results. Using independent training and testing experiments 10 times to evaluate the ovarian cancer detection models, the average prediction accuracy, sensitivity, and specificity of the PCA-SVM model were 83.34%, 82.70%, and 83.88%, respectively. In contrast, those of the PPCA-SVM model were 90.80%, 92.98%, and 88.97%, respectively. Conclusions. The PPCA-SVM model had better detection performance. And the model combined with the SELDI-TOF-MS technology had a prospect in early clinical detection and diagnosis of ovarian cancer. PMID:27642365

  11. Sensitive, accurate and rapid detection of trace aliphatic amines in environmental samples with ultrasonic-assisted derivatization microextraction using a new fluorescent reagent for high performance liquid chromatography.

    PubMed

    Chen, Guang; Liu, Jianjun; Liu, Mengge; Li, Guoliang; Sun, Zhiwei; Zhang, Shijuan; Song, Cuihua; Wang, Hua; Suo, Yourui; You, Jinmao

    2014-07-25

    A new fluorescent reagent, 1-(1H-imidazol-1-yl)-2-(2-phenyl-1H-phenanthro[9,10-d]imidazol-1-yl)ethanone (IPPIE), is synthesized, and a simple pretreatment based on ultrasonic-assisted derivatization microextraction (UDME) with IPPIE is proposed for the selective derivatization of 12 aliphatic amines (C1: methylamine-C12: dodecylamine) in complex matrix samples (irrigation water, river water, waste water, cultivated soil, riverbank soil and riverbed soil). Under the optimal experimental conditions (solvent: ACN-HCl, catalyst: none, molar ratio: 4.3, time: 8 min and temperature: 80°C), micro amount of sample (40 μL; 5mg) can be pretreated in only 10 min, with no preconcentration, evaporation or other additional manual operations required. The interfering substances (aromatic amines, aliphatic alcohols and phenols) get the derivatization yields of <5%, causing insignificant matrix effects (<4%). IPPIE-analyte derivatives are separated by high performance liquid chromatography (HPLC) and quantified by fluorescence detection (FD). The very low instrumental detection limits (IDL: 0.66-4.02 ng/L) and method detection limits (MDL: 0.04-0.33 ng/g; 5.96-45.61 ng/L) are achieved. Analytes are further identified from adjacent peaks by on-line ion trap mass spectrometry (MS), thereby avoiding additional operations for impurities. With this UDME-HPLC-FD-MS method, the accuracy (-0.73-2.12%), precision (intra-day: 0.87-3.39%; inter-day: 0.16-4.12%), recovery (97.01-104.10%) and sensitivity were significantly improved. Successful applications in environmental samples demonstrate the superiority of this method in the sensitive, accurate and rapid determination of trace aliphatic amines in micro amount of complex samples.

  12. Analyzing Protease Specificity and Detecting in Vivo Proteolytic Events Using Tandem Mass Spectrometry

    SciTech Connect

    Gupta, Nitin; Hixson, Kim K.; Culley, David E.; Smith, Richard D.; Pevzner, Pavel A.

    2010-07-01

    While trypsin remains the most commonly used protease in mass spectrometry, other proteases may be employed for increasing peptide-coverage or generating overlapping peptides. Knowledge of the accurate specifcity rules of these proteases is helpful for database search tools to detect peptides, and becomes crucial when mass spectrometry is used to discover in vivo proteolytic cleavages. In this study, we use tandem mass spectrometry to analyze the specifcity rules of selected proteases and describe MS- Proteolysis, a software tool for identifying putative sites of in vivo proteolytic cleavage. Our analysis suggests that the specifcity rules for some commonly used proteases can be improved, e.g., we find that V8 protease cuts not only after Asp and Glu, as currently expected, but also shows a smaller propensity to cleave after Gly for the conditions tested in this study. Finally, we show that comparative analysis of multiple proteases can be used to detect putative in vivo proteolytic sites on a proteome-wide scale.

  13. Noninvasive detection of weapons of mass destruction using terahertz radiation

    NASA Astrophysics Data System (ADS)

    Campbell, Matthew B.; Heilweil, Edwin J.

    2003-08-01

    The growing and immediate threat of biological and chemical weapons has placed urgency on the development of chemical and biological warfare agent (CWA/BWA) screening devices. Specifically, the ability to detect CWA/BWA prior to deployment is paramount to mitigating the threat without exposing individuals to its effects. SPARTA, Inc. and NIST are currently investigating the feasibility of using far-infrared radiation, or terahertz (THz, 1 THz = 1012 Hz) radiation, to non-invasively detect biological and chemical agents, explosives and drugs/narcotics inside sealed containers. Small-to-medium sized molecules (3-100 atoms) in gas, liquid and solid phases consistently exhibit identifiable spectral features in the far-IR portion of the spectrum. Many compounds associated with weapons of mass destruction are made up of molecules of this size. The THz portion of the spectrum lies between visible light and radio waves, allowing for partial transmission of 0.3-10.0 THz (30-1000 μm, 10-330 cm-1) light through most common materials. Therefore, transmission measurements of THz light can potentially be used to non-invasively detect the presence of CWA/BWA, explosives and drugs in the pathway of a THz radiation beam.

  14. SU-E-J-23: An Accurate Algorithm to Match Imperfectly Matched Images for Lung Tumor Detection Without Markers

    SciTech Connect

    Rozario, T; Bereg, S; Chiu, T; Liu, H; Kearney, V; Jiang, L; Mao, W

    2014-06-01

    Purpose: In order to locate lung tumors on projection images without internal markers, digitally reconstructed radiograph (DRR) is created and compared with projection images. Since lung tumors always move and their locations change on projection images while they are static on DRRs, a special DRR (background DRR) is generated based on modified anatomy from which lung tumors are removed. In addition, global discrepancies exist between DRRs and projections due to their different image originations, scattering, and noises. This adversely affects comparison accuracy. A simple but efficient comparison algorithm is reported. Methods: This method divides global images into a matrix of small tiles and similarities will be evaluated by calculating normalized cross correlation (NCC) between corresponding tiles on projections and DRRs. The tile configuration (tile locations) will be automatically optimized to keep the tumor within a single tile which has bad matching with the corresponding DRR tile. A pixel based linear transformation will be determined by linear interpolations of tile transformation results obtained during tile matching. The DRR will be transformed to the projection image level and subtracted from it. The resulting subtracted image now contains only the tumor. A DRR of the tumor is registered to the subtracted image to locate the tumor. Results: This method has been successfully applied to kV fluoro images (about 1000 images) acquired on a Vero (Brainlab) for dynamic tumor tracking on phantom studies. Radiation opaque markers are implanted and used as ground truth for tumor positions. Although, other organs and bony structures introduce strong signals superimposed on tumors at some angles, this method accurately locates tumors on every projection over 12 gantry angles. The maximum error is less than 2.6 mm while the total average error is 1.0 mm. Conclusion: This algorithm is capable of detecting tumor without markers despite strong background signals.

  15. Accurate determination of ⁴¹Ca concentrations in spent resins from the nuclear industry by accelerator mass spectrometry.

    PubMed

    Nottoli, Emmanuelle; Bourlès, Didier; Bienvenu, Philippe; Labet, Alexandre; Arnold, Maurice; Bertaux, Maité

    2013-12-01

    The radiological characterisation of nuclear waste is essential for managing storage sites. Determining the concentration of Long-Lived RadioNuclides (LLRN) is fundamental for their long-term management. This paper focuses on the measurement of low (41)Ca concentrations in ions exchange resins used for primary fluid purification in Pressurised Water Reactors (PWR). (41)Ca concentrations were successfully measured by Accelerator Mass Spectrometry (AMS) after the acid digestion of resin samples, followed by radioactive decontamination and isobaric suppression through successive hydroxide, carbonate, nitrate and final CaF2 precipitations. Measured (41)Ca concentrations ranged from 0.02 to 0.03 ng/g, i.e. from 0.06 to 0.09 Bq/g. The (41)Ca/(60)Co activity ratios obtained were remarkably reproducible and in good agreement with the current ratio used for resins management.

  16. Time-of-flight mass spectrometry for explosives trace detection

    NASA Astrophysics Data System (ADS)

    Pettersson, Anna; Elfving, Anders; Elfsberg, Mattias; Hurtig, Tomas; Johansson, Niklas; Al-Khalili, Ahmed; Käck, Petra; Wallin, Sara; Östmark, Henric

    2012-06-01

    This paper presents the ongoing development of a laser ionization mass spectrometric system to be applied for screening for security related threat substances, specifically explosives. The system will be part of a larger security checkpoint system developed and demonstrated within the FP7 project EFFISEC to aid border police and customs at outer border checks. The laser ionization method of choice is SPI (single photon ionization), but the system also incorporates optional functionalities such as a cold trap and/or a particle concentrator to facilitate detection of minute amounts of explosives. The possibility of using jet-REMPI as a verification means is being scrutinized. Automated functionality and user friendliness is also considered in the demo system development.

  17. Mass-dependent channel electron multiplier operation. [for ion detection

    NASA Technical Reports Server (NTRS)

    Fields, S. A.; Burch, J. L.; Oran, W. A.

    1977-01-01

    The absolute counting efficiency and pulse height distributions of a continuous-channel electron multiplier used in the detection of hydrogen, argon and xenon ions are assessed. The assessment technique, which involves the post-acceleration of 8-eV ion beams to energies from 100 to 4000 eV, provides information on counting efficiency versus post-acceleration voltage characteristics over a wide range of ion mass. The charge pulse height distributions for H2 (+), A (+) and Xe (+) were measured by operating the experimental apparatus in a marginally gain-saturated mode. It was found that gain saturation occurs at lower channel multiplier operating voltages for light ions such as H2 (+) than for the heavier ions A (+) and Xe (+), suggesting that the technique may be used to discriminate between these two classes of ions in electrostatic analyzers.

  18. CLASH-VLT: Insights on the Mass Substructures in the Frontier Fields Cluster MACS J0416.1-2403 through Accurate Strong Lens Modeling

    NASA Astrophysics Data System (ADS)

    Grillo, C.; Suyu, S. H.; Rosati, P.; Mercurio, A.; Balestra, I.; Munari, E.; Nonino, M.; Caminha, G. B.; Lombardi, M.; De Lucia, G.; Borgani, S.; Gobat, R.; Biviano, A.; Girardi, M.; Umetsu, K.; Coe, D.; Koekemoer, A. M.; Postman, M.; Zitrin, A.; Halkola, A.; Broadhurst, T.; Sartoris, B.; Presotto, V.; Annunziatella, M.; Maier, C.; Fritz, A.; Vanzella, E.; Frye, B.

    2015-02-01

    We present a detailed mass reconstruction and a novel study on the substructure properties in the core of the Cluster Lensing And Supernova survey with Hubble (CLASH) and Frontier Fields galaxy cluster MACS J0416.1-2403. We show and employ our extensive spectroscopic data set taken with the VIsible Multi-Object Spectrograph instrument as part of our CLASH-VLT program, to confirm spectroscopically 10 strong lensing systems and to select a sample of 175 plausible cluster members to a limiting stellar mass of log (M */M ⊙) ~= 8.6. We reproduce the measured positions of a set of 30 multiple images with a remarkable median offset of only 0.''3 by means of a comprehensive strong lensing model comprised of two cluster dark-matter halos, represented by cored elliptical pseudo-isothermal mass distributions, and the cluster member components, parameterized with dual pseudo-isothermal total mass profiles. The latter have total mass-to-light ratios increasing with the galaxy HST/WFC3 near-IR (F160W) luminosities. The measurement of the total enclosed mass within the Einstein radius is accurate to ~5%, including the systematic uncertainties estimated from six distinct mass models. We emphasize that the use of multiple-image systems with spectroscopic redshifts and knowledge of cluster membership based on extensive spectroscopic information is key to constructing robust high-resolution mass maps. We also produce magnification maps over the central area that is covered with HST observations. We investigate the galaxy contribution, both in terms of total and stellar mass, to the total mass budget of the cluster. When compared with the outcomes of cosmological N-body simulations, our results point to a lack of massive subhalos in the inner regions of simulated clusters with total masses similar to that of MACS J0416.1-2403. Our findings of the location and shape of the cluster dark-matter halo density profiles and on the cluster substructures provide intriguing tests of the

  19. CLASH-VLT: INSIGHTS ON THE MASS SUBSTRUCTURES IN THE FRONTIER FIELDS CLUSTER MACS J0416.1–2403 THROUGH ACCURATE STRONG LENS MODELING

    SciTech Connect

    Grillo, C.; Suyu, S. H.; Umetsu, K.; Rosati, P.; Caminha, G. B.; Mercurio, A.; Balestra, I.; Munari, E.; Nonino, M.; De Lucia, G.; Borgani, S.; Biviano, A.; Girardi, M.; Lombardi, M.; Gobat, R.; Zitrin, A.; Halkola, A. and others

    2015-02-10

    We present a detailed mass reconstruction and a novel study on the substructure properties in the core of the Cluster Lensing And Supernova survey with Hubble (CLASH) and Frontier Fields galaxy cluster MACS J0416.1–2403. We show and employ our extensive spectroscopic data set taken with the VIsible Multi-Object Spectrograph instrument as part of our CLASH-VLT program, to confirm spectroscopically 10 strong lensing systems and to select a sample of 175 plausible cluster members to a limiting stellar mass of log (M {sub *}/M {sub ☉}) ≅ 8.6. We reproduce the measured positions of a set of 30 multiple images with a remarkable median offset of only 0.''3 by means of a comprehensive strong lensing model comprised of two cluster dark-matter halos, represented by cored elliptical pseudo-isothermal mass distributions, and the cluster member components, parameterized with dual pseudo-isothermal total mass profiles. The latter have total mass-to-light ratios increasing with the galaxy HST/WFC3 near-IR (F160W) luminosities. The measurement of the total enclosed mass within the Einstein radius is accurate to ∼5%, including the systematic uncertainties estimated from six distinct mass models. We emphasize that the use of multiple-image systems with spectroscopic redshifts and knowledge of cluster membership based on extensive spectroscopic information is key to constructing robust high-resolution mass maps. We also produce magnification maps over the central area that is covered with HST observations. We investigate the galaxy contribution, both in terms of total and stellar mass, to the total mass budget of the cluster. When compared with the outcomes of cosmological N-body simulations, our results point to a lack of massive subhalos in the inner regions of simulated clusters with total masses similar to that of MACS J0416.1–2403. Our findings of the location and shape of the cluster dark-matter halo density profiles and on the cluster substructures provide intriguing

  20. Masses of the components of SB2 binaries observed with Gaia - III. Accurate SB2 orbits for 10 binaries and masses of HIP 87895

    NASA Astrophysics Data System (ADS)

    Kiefer, F.; Halbwachs, J.-L.; Arenou, F.; Pourbaix, D.; Famaey, B.; Guillout, P.; Lebreton, Y.; Nebot Gómez-Morán, A.; Mazeh, T.; Salomon, J.-B.; Soubiran, C.; Tal-Or, L.

    2016-05-01

    In anticipation of the Gaia astrometric mission, a large sample of spectroscopic binaries has been observed since 2010 with the Spectrographe pour l'Observation des PHénomènes des Intérieurs Stellaires et des Exoplanètes spectrograph at the Haute-Provence Observatory. Our aim is to derive the orbital elements of double-lined spectroscopic binaries (SB2s) with an accuracy sufficient to finally obtain the masses of the components with relative errors as small as 1 per cent when the astrometric measurements of Gaia are taken into account. In this paper, we present the results from five years of observations of 10 SB2 systems with periods ranging from 37 to 881 d. Using the TODMOR algorithm, we computed radial velocities from the spectra, and then derived the orbital elements of these binary systems. The minimum masses of the components are then obtained with an accuracy better than 1.2 per cent for the 10 binaries. Combining the radial velocities with existing interferometric measurements, we derived the masses of the primary and secondary components of HIP 87895 with an accuracy of 0.98 and 1.2 per cent, respectively.

  1. Toward optimizing patient-specific IMRT QA techniques in the accurate detection of dosimetrically acceptable and unacceptable patient plans

    SciTech Connect

    McKenzie, Elizabeth M.; Balter, Peter A.; Stingo, Francesco C.; Jones, Jimmy; Followill, David S.; Kry, Stephen F.

    2014-12-15

    was no significant difference in the performance of any device between gamma criteria of 2%/2 mm, 3%/3 mm, and 5%/3 mm. Finally, optimal cutoffs (e.g., percent of pixels passing gamma) were determined for each device and while clinical practice commonly uses a threshold of 90% of pixels passing for most cases, these results showed variability in the optimal cutoff among devices. Conclusions: IMRT QA devices have differences in their ability to accurately detect dosimetrically acceptable and unacceptable plans. Field-by-field analysis with a MapCheck device and use of the MapCheck with a MapPhan phantom while delivering at planned rotational gantry angles resulted in a significantly poorer ability to accurately sort acceptable and unacceptable plans compared with the other techniques examined. Patient-specific IMRT QA techniques in general should be thoroughly evaluated for their ability to correctly differentiate acceptable and unacceptable plans. Additionally, optimal agreement thresholds should be identified and used as common clinical thresholds typically worked very poorly to identify unacceptable plans.

  2. Status of mass spectrometric radiocarbon detection at ETHZ

    NASA Astrophysics Data System (ADS)

    Seiler, Martin; Maxeiner, Sascha; Wacker, Lukas; Synal, Hans-Arno

    2015-10-01

    A prototype of a mass spectrometric radiocarbon detection instrument without accelerator stage was built for the first time and set into operation at ETH Zurich. The system is designed as an experimental platform to optimize performance of 14C detection at low ion energies and to study the most relevant processes that may limit system performance. The optimized stripper unit incorporates differential pumping to maintain a low gas outflow and a revised tube design to better match the phase space volume of the ion beam at low energies. The system is fully operational and has demonstrated true radiocarbon dating capabilities. The overall beam transmission through the stripper tube is about 40% for the 1+ charge state. Radiocarbon analyses with an overall precision of 0.6% were obtained on a single sample under regular measurement conditions. By analyzing multiple targets of the same sample material an uncertainty level of 0.3% has been reached. The background level corresponds to a radiocarbon age of 40,000 years.

  3. Mass-tag enhanced immuno-laser desorption/ionization mass spectrometry for sensitive detection of intact protein antigens.

    PubMed

    Lorey, Martina; Adler, Belinda; Yan, Hong; Soliymani, Rabah; Ekström, Simon; Yli-Kauhaluoma, Jari; Laurell, Thomas; Baumann, Marc

    2015-05-19

    A new read-out method for antibody arrays using laser desorption/ionization-mass spectrometry (LDI-MS) is presented. Small, photocleavable reporter molecules with a defined mass called "mass-tags" are used for detection of immunocaptured proteins from human plasma. Using prostate specific antigen (PSA), a biomarker for prostate cancer, as a model antigen, a high sensitivity generic detection methodology based immunocapture with a primary antibody and with a biotin labeled secondary antibody coupled to mass-tagged avidin is demonstrated. As each secondary antibody can bind several avidin molecules, each having a large number of mass-tags, signal amplification can be achieved. The developed PSA sandwich mass-tag analysis method provided a limit of detection below 200 pg/mL (6 pM) for a 10 μL plasma sample, well below the clinically relevant cutoff value of 3-4 ng/mL. This brings the limit of detection (LOD) for detection of intact antigens with matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) down to levels comparable to capture by anti-peptide antibodies selected reaction monitoring (SISCAPA SRM) and enzyme linked immunosorbent assay (ELISA), as 6 pM corresponds to a maximal amount of 60 amol PSA captured on-spot. We propose the potential use of LDI (laser desorption/ionization) with mass-tag read-out implemented in a sandwich assay format for low abundant and/or early disease biomarker detection.

  4. Decision peptide-driven: a free software tool for accurate protein quantification using gel electrophoresis and matrix assisted laser desorption ionization time of flight mass spectrometry.

    PubMed

    Santos, Hugo M; Reboiro-Jato, Miguel; Glez-Peña, Daniel; Nunes-Miranda, J D; Fdez-Riverola, Florentino; Carvallo, R; Capelo, J L

    2010-09-15

    The decision peptide-driven tool implements a software application for assisting the user in a protocol for accurate protein quantification based on the following steps: (1) protein separation through gel electrophoresis; (2) in-gel protein digestion; (3) direct and inverse (18)O-labeling and (4) matrix assisted laser desorption ionization time of flight mass spectrometry, MALDI analysis. The DPD software compares the MALDI results of the direct and inverse (18)O-labeling experiments and quickly identifies those peptides with paralleled loses in different sets of a typical proteomic workflow. Those peptides are used for subsequent accurate protein quantification. The interpretation of the MALDI data from direct and inverse labeling experiments is time-consuming requiring a significant amount of time to do all comparisons manually. The DPD software shortens and simplifies the searching of the peptides that must be used for quantification from a week to just some minutes. To do so, it takes as input several MALDI spectra and aids the researcher in an automatic mode (i) to compare data from direct and inverse (18)O-labeling experiments, calculating the corresponding ratios to determine those peptides with paralleled losses throughout different sets of experiments; and (ii) allow to use those peptides as internal standards for subsequent accurate protein quantification using (18)O-labeling. In this work the DPD software is presented and explained with the quantification of protein carbonic anhydrase.

  5. An accurate method for microanalysis of carbon monoxide in putrid postmortem blood by head-space gas chromatography-mass spectrometry (HS/GC/MS).

    PubMed

    Hao, Hongxia; Zhou, Hong; Liu, Xiaopei; Zhang, Zhong; Yu, Zhongshan

    2013-06-10

    Carbon monoxide (CO) may be the cause of more than half the fatal poisonings reported in many countries, with some of these cases under-reported or misdiagnosed by medical professionals. Therefore, an accurate and reliable analytical method to measure blood carboxyhemoglobin level (COHb%), in the 1% to lethal range, is essential for correct diagnosis. Herein a method was established, i.e. head-space gas chromatography-mass spectrometry (HS/GC/MS) that has numerous advantages over other techniques, such as UV spectrometry, for determination of COHb%. There was a linear relationship (R(2)=0. 9995) between the peak area for CO and the COHb% in blood. Using a molecular sieve-packed column, CO levels in the air down to 0.01% and COHb% levels in small blood samples down to 0.2% could be quantitated rapidly and accurately. Furthermore, this method showed good reproducibility with a relative standard deviation for COHb% of <1%. Therefore, this technique provides an accurate and reliable method for determining CO and COHb% levels and may prove useful for investigation of deaths potentially related to CO exposure.

  6. High-precision topography measurement through accurate in-focus plane detection with hybrid digital holographic microscope and white light interferometer module.

    PubMed

    Liżewski, Kamil; Tomczewski, Sławomir; Kozacki, Tomasz; Kostencka, Julianna

    2014-04-10

    High-precision topography measurement of micro-objects using interferometric and holographic techniques can be realized provided that the in-focus plane of an imaging system is very accurately determined. Therefore, in this paper we propose an accurate technique for in-focus plane determination, which is based on coherent and incoherent light. The proposed method consists of two major steps. First, a calibration of the imaging system with an amplitude object is performed with a common autofocusing method using coherent illumination, which allows for accurate localization of the in-focus plane position. In the second step, the position of the detected in-focus plane with respect to the imaging system is measured with white light interferometry. The obtained distance is used to accurately adjust a sample with the precision required for the measurement. The experimental validation of the proposed method is given for measurement of high-numerical-aperture microlenses with subwavelength accuracy.

  7. Using Lanthanide Nanoparticles as Isotopic Tags for Biomarker Detection by Mass Cytometry

    NASA Astrophysics Data System (ADS)

    Cao, Pengpeng

    The development of robust, versatile, and high-throughput biosensing techniques has widespread implications for early disease detection and accurate diagnosis. An innovative technology, mass cytometry, has been developed to use isotopically-labelled antibodies to simultaneously study multiple parameters of single cells. The current detection sensitivity of mass cytometry is limited by the number of copies of a given isotope that can be attached to a given antibody. This thesis describes research on the synthesis, characterization, and bioconjugation of a new class of nanoparticle-based labelling agents to be employed for the detection of low-abundance biomarkers by mass cytometry. Hydrophobic lanthanide nanoparticles (Ln NPs) have been prepared by the Winnik group. To render the NPs water-soluble for biological applications, we coated the NP surface with a first generation of multidentate poly(ethylene glycol) (PEG)-based ligands via ligand exchange. We measured the size, morphology, and polydispersity of these hydrophilic NPs by transmission electron microscopy (TEM) and dynamic light scattering (DLS). The colloidal stability of the NPs was determined at various pH and in phosphate buffered saline (PBS) solutions. Tetradentate-PEG-coated NPs (Tetra-NPs) exhibited the best stability at pH 3 to 9, and in PBS. However, when cells were treated with Tetra-NPs in preliminary in vitro studies, significant undesirable non-specific binding (NSB) was observed. In order to tackle the NSB issue presented in the Tetra-NPs, we prepared a second generation of polymer-based ligands using ring-opening metathesis polymerization (ROMP). A small library of ROMP polymers was synthesized, characterized, and used to stabilize NPs in aqueous solutions. The ROMP-NPs were found to have significantly reduced NSB to cells by inductively coupled plasma-mass spectrometry (ICP-MS). To further modify the NPs, amine groups were introduced as functional handles to both the tetradentate-PEG and

  8. Evaluation of the occurrence and biodegradation of parabens and halogenated by-products in wastewater by accurate-mass liquid chromatography-quadrupole-time-of-flight-mass spectrometry (LC-QTOF-MS).

    PubMed

    González-Mariño, Iria; Quintana, José Benito; Rodríguez, Isaac; Cela, Rafael

    2011-12-15

    An assessment of the sewage occurrence and biodegradability of seven parabens and three halogenated derivatives of methyl paraben (MeP) is presented. Several wastewater samples were collected at three different wastewater treatment plants (WWTPs) during April and May 2010, concentrated by solid-phase extraction (SPE) and analysed by liquid chromatography-electrospray-quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The performance of the QTOF system proved to be comparable to triple-quadrupole instruments in terms of quantitative capabilities, with good linearity (R(2) > 0.99 in the 5-500 ng mL(-1) range), repeatability (RSD < 5.6%) and LODs (0.3-4.0 ng L(-1) after SPE). MeP and n-propyl paraben (n-PrP) were the most frequently detected and the most abundant analytes in raw wastewater (0.3-10 μg L(-1)), in accordance with the data displayed in the bibliography and reflecting their wider use in cosmetic formulations. Samples were also evaluated in search for potential halogenated by-products of parabens, formed as a result of their reaction with residual chlorine contained in tap water. Monochloro- and dichloro-methyl paraben (ClMeP and Cl(2)MeP) were found and quantified in raw wastewater at levels between 0.01 and 0.1 μg L(-1). Halogenated derivatives of n-PrP could not be quantified due to the lack of standards; nevertheless, the monochlorinated species (ClPrP) was identified in several samples from its accurate precursor and product ions mass/charge ratios (m/z). Removal efficiencies of parabens and MeP chlorinated by-products in WWTPs exceeded 90%, with the lowest percentages corresponding to the latter species. This trend was confirmed by an activated sludge biodegradation batch test, where non-halogenated parabens had half-lives lower than 4 days, whereas halogenated derivatives of MeP turned out to be more persistent, with up to 10 days of half-life in the case of dihalogenated derivatives. A further stability test performed with raw wastewater

  9. Wide-Scope Screening of Illegal Adulterants in Dietary and Herbal Supplements via Rapid Polarity-Switching and Multistage Accurate Mass Confirmation Using an LC-IT/TOF Hybrid Instrument.

    PubMed

    Guo, Bin; Wang, Meiling; Liu, Yanyan; Zhou, Jing; Dai, Hua; Huang, Zhiqiang; Shen, Lingling; Zhang, Qingsheng; Chen, Bo

    2015-08-12

    A new analytical strategy was developed that integrates a generic sample preparation into a liquid chromatography-multistage ion trap/time-of-flight mass spectrometry (LC-IT(MS(n))/TOF), allowing for large-scale screening and qualitative confirmation of wide-scope illegal adulterants in different food matrices. Samples were pretreated by a fast single-tube multifunction extraction for accurate multistage mass measurement on the hybrid LC-IT/TOF system. A qualitative validation performed for over 500 analyte-matrix pairs showed the method can reduce most of the matrix effects and achieve a lower limit of confirmation at 0.1 mg/kg for 73% of the target compounds. A unique combination of dual-polarity detection, retention time, isotopic profile, and accurate MS(n) spectra enables more comprehensive and precise confirmation, based on the multiparameter matching by automated library searching against the user-created database. Finally, the applicability of this LC-IT(MS(n))/TOF-based screening procedure for discriminating coeluting isobars, identifying nontarget adulterants, and even tentatively elucidating unexpected species in real samples is demonstrated.

  10. Center of mass detection via an active pixel sensor

    NASA Technical Reports Server (NTRS)

    Yadid-Pecht, Orly (Inventor); Minch, Brad (Inventor); Pain, Bedabrara (Inventor); Fossum, Eric (Inventor)

    2006-01-01

    An imaging system for identifying the location of the center of mass (COM) in an image. In one aspect, an imaging system includes a plurality of photosensitive elements arranged in a matrix. A center of mass circuit coupled to the photosensitive elements includes a resistive network and a normalization circuit including at least one bipolar transistor. The center of mass circuit identifies a center of mass location in the matrix and includes: a row circuit, where the row circuit identifies a center of mass row value in each row of the matrix and identifies a row intensity for each row; a horizontal circuit, where the horizontal circuit identifies a center of mass horizontal value; and a vertical circuit, where the vertical circuit identifies a center of mass vertical value. The horizontal and vertical center of mass values indicate the coordinates of the center of mass location for the image.

  11. Center of mass detection via an active pixel sensor

    NASA Technical Reports Server (NTRS)

    Yadid-Pecht, Orly (Inventor); Minch, Brad (Inventor); Pain, Bedabrata (Inventor); Fossum, Eric (Inventor)

    2005-01-01

    An imaging system for identifying the location of the center of mass (COM) in an image. In one aspect, an imaging system includes a plurality of photosensitive elements arranged in a matrix. A center of mass circuit coupled to the photosensitive elements includes a resistive network and a normalization circuit including at least one bipolar transistor. The center of mass circuit identifies a center of mass location in the matrix and includes: a row circuit, where the row circuit identifies a center of mass row value in each row of the matrix and identifies a row intensity for each row; a horizontal circuit, where the horizontal circuit identifies a center of mass horizontal value; and a vertical circuit, where the vertical circuit identifies a center of mass vertical value. The horizontal and vertical center of mass values indicate the coordinates of the center of mass location for the image.

  12. Center of mass detection via an active pixel sensor

    NASA Technical Reports Server (NTRS)

    Yadid-Pecht, Orly (Inventor); Minch, Brad (Inventor); Pain, Bedabrata (Inventor); Fossum, Eric (Inventor)

    2002-01-01

    An imaging system for identifying the location of the center of mass (COM) in an image. In one aspect, an imaging system includes a plurality of photosensitive elements arranged in a matrix. A center of mass circuit coupled to the photosensitive elements includes a resistive network and a normalization circuit including at least one bipolar transistor. The center of mass circuit identifies a center of mass location in the matrix and includes: a row circuit, where the row circuit identifies a center of mass row value in each row of the matrix and identifies a row intensity for each row; a horizontal circuit, where the horizontal circuit identifies a center of mass horizontal value; and a vertical circuit, where the vertical circuit identifies a center of mass vertical value. The horizontal and vertical center of mass values indicate the coordinates of the center of mass location for the image.

  13. Accurate classification of 29 objects detected in the 39 month Palermo Swift/BAT hard X-ray catalogue

    NASA Astrophysics Data System (ADS)

    Parisi, P.; Masetti, N.; Jiménez-Bailón, E.; Chavushyan, V.; Palazzi, E.; Landi, R.; Malizia, A.; Bassani, L.; Bazzano, A.; Bird, A. J.; Charles, P. A.; Galaz, G.; Mason, E.; McBride, V. A.; Minniti, D.; Morelli, L.; Schiavone, F.; Ubertini, P.

    2012-09-01

    Through an optical campaign performed at four telescopes located in the northern and the southern hemispheres, plus archival data from two on-line sky surveys, we obtained optical spectroscopy for 29 counterparts of unclassified or poorly studied hard X-ray emitting objects detected with Swift /Burst Alert Telescope (BAT) and listed in the 39 month Palermo catalogue. All these objects also have observations taken with Swift /X-ray Telescope (XRT) or XMM-European Photon Imaging Camera (EPIC) which not only allow us to pinpoint their optical counterpart, but also study their X-ray spectral properties (column density, power law photon index, and F2-10 keV flux). We find that 28 sources in our sample are active galactic nuclei (AGNs); 7 are classified as type 1, while 21 are of type 2; the remaining object is a Galactic cataclysmic variable. Among our type 1 AGNs, we find 5 objects of intermediate Seyfert type (1.2-1.9) and one narrow-line Seyfert 1 galaxy; for 4 out of 7 sources, we are able to estimate the central black hole mass. Three of the type 2 AGNs of our sample display optical features typical of low-ionization nuclear emission-line regions (LINER) and one is a likely Compton thick AGN. All galaxies classified in this work are relatively nearby objects since their redshifts lie in the range 0.008-0.075; the only Galactic object found lies at an estimated distance of 90 pc. We also investigate the optical versus X-ray emission ratio of the galaxies of our sample to test the AGN unified model. For these galaxies, we also compare the X-ray absorption (caused by gas) with the optical reddening (caused by dust): we find that for most of our sources, specifically those of type 1.9-2.0 the former is higher than the latter confirming early results of Maiolino and collaborators; this is possibly due to the properties of dust in the circumnuclear obscuring torus of the AGN. Based on observations obtained from the following observatories: the Astronomical Observatory of

  14. Non-targeted screening for contaminants in paper and board food-contact materials using effect-directed analysis and accurate mass spectrometry.

    PubMed

    Bengtström, Linda; Rosenmai, Anna Kjerstine; Trier, Xenia; Jensen, Lisbeth Krüger; Granby, Kit; Vinggaard, Anne Marie; Driffield, Malcolm; Højslev Petersen, Jens

    2016-06-01

    Due to large knowledge gaps in chemical composition and toxicological data for substances involved, paper and board food-contact materials (P&B FCM) have been emerging as a FCM type of particular concern for consumer safety. This study describes the development of a step-by-step strategy, including extraction, high-performance liquid chromatography (HPLC) fractionation, tentative identification of relevant substances and in vitro testing of selected tentatively identified substances. As a case study, we used two fractions from a recycled pizza box sample which exhibited aryl hydrocarbon receptor (AhR) activity. These fractions were analysed by gas chromatography (GC) and ultra-HPLC (UHPLC) coupled to quadrupole time-of-flight mass spectrometers (QTOF MS) in order tentatively to identify substances. The elemental composition was determined for peaks above a threshold, and compared with entries in a commercial mass spectral library for GC-MS (GC-EI-QTOF MS) analysis and an in-house built library of accurate masses for substances known to be used in P&B packaging for UHPLC-QTOF analysis. Of 75 tentatively identified substances, 15 were initially selected for further testing in vitro; however, only seven were commercially available and subsequently tested in vitro and quantified. Of these seven, the identities of three pigments found in printing inks were confirmed by UHPLC tandem mass spectrometry (QqQ MS/MS). Two pigments had entries in the database, meaning that a material relevant accurate mass database can provide a fast tentative identification. Pure standards of the seven tentatively identified substances were tested in vitro but could not explain a significant proportion of the AhR-response in the extract. Targeted analyses of dioxins and PCBs, both well-known AhR agonists, was performed. However, the dioxins could explain approximately 3% of the activity observed in the pizza box extract indicating that some very AhR active substance(s) still remain to be

  15. Detection of adriamycin-DNA adducts by accelerator mass spectrometry.

    PubMed

    Coldwell, Kate; Cutts, Suzanne M; Ognibene, Ted J; Henderson, Paul T; Phillips, Don R

    2010-01-01

    There have been many attempts in the past to determine whether significant levels of Adriamycin-DNA adducts form in cells and contribute to the anticancer activity of this agent. Supraclincal drug levels have been required to study drug-DNA adducts because of the lack of sensitivity associated with many of the techniques employed, including liquid scintillation counting of radiolabeled drug. The use of accelerator mass spectrometry (AMS) has provided the first direct evidence of Adriamycin-DNA adduct formation in cells at clinically relevant Adriamycin concentrations. The exceedingly sensitive nature of AMS has enabled over three orders of magnitude increased sensitivity of Adriamycin-DNA adduct detection (compared to liquid scintillation counting) and has revealed adduct formation within an hour of drug treatment. The rigorous protocol required for this approach, together with many notes on the precautions and procedures required in order to ensure that absolute levels of Adriamycin-DNA adducts can be determined with good reproducibility, is outlined in this chapter.

  16. Accurate lithography hotspot detection based on principal component analysis-support vector machine classifier with hierarchical data clustering

    NASA Astrophysics Data System (ADS)

    Yu, Bei; Gao, Jhih-Rong; Ding, Duo; Zeng, Xuan; Pan, David Z.

    2015-01-01

    As technology nodes continue to shrink, layout patterns become more sensitive to lithography processes, resulting in lithography hotspots that need to be identified and eliminated during physical verification. We propose an accurate hotspot detection approach based on principal component analysis-support vector machine classifier. Several techniques, including hierarchical data clustering, data balancing, and multilevel training, are provided to enhance the performance of the proposed approach. Our approach is accurate and more efficient than conventional time-consuming lithography simulation and provides a high flexibility for adapting to new lithography processes and rules.

  17. Investigation of mass dependence effects for the accurate determination of molybdenum isotope amount ratios by MC-ICP-MS using synthetic isotope mixtures.

    PubMed

    Malinovsky, Dmitry; Dunn, Philip J H; Petrov, Panayot; Goenaga-Infante, Heidi

    2015-01-01

    Methodology for absolute Mo isotope amount ratio measurements by multicollector inductively coupled plasma-mass spectrometry (MC-ICP-MS) using calibration with synthetic isotope mixtures (SIMs) is presented. For the first time, synthetic isotope mixtures prepared from seven commercially available isotopically enriched molybdenum metal powders ((92)Mo, (94)Mo, (95)Mo, (96)Mo, (97)Mo, (98)Mo, and (100)Mo) are used to investigate whether instrumental mass discrimination of Mo isotopes in MC-ICP-MS is consistent with mass-dependent isotope distribution. The parent materials were dissolved and mixed as solutions to obtain mixtures with accurately known isotope amount ratios. The level of elemental impurities in the isotopically enriched molybdenum metal powders was quantified by ICP-MS by using both high-resolution and reaction cell instruments to completely resolve spectral interferences. The Mo isotope amount ratio values with expanded uncertainty (k = 2), determined by MC-ICP-MS for a high-purity Mo rod from Johnson Matthey, were as follows: (92)Mo/(95)Mo = 0.9235(9), (94)Mo/(95)Mo = 0.5785(8), (96)Mo/(95)Mo = 1.0503(9), (97)Mo/(95)Mo = 0.6033(6), (98)Mo/(95)Mo = 1.5291(20), and (100)Mo/(95)Mo = 0.6130(7). A full uncertainty budget for the measurements is presented which shows that the largest contribution to the uncertainty budget comes from correction for elemental impurities (∼51%), followed by the contribution from weighing operations (∼26 %). The atomic weight of molybdenum was calculated to be 95.947(2); the uncertainty in parentheses is expanded uncertainty with the coverage factor of 2. A particular advantage of the developed method is that calibration factors for all six Mo isotope amount ratios, involving the (95)Mo isotope, were experimentally determined. This allows avoiding any assumption on mass-dependent isotope fractions in MC-ICP-MS, inherent to the method of double spike previously used for Mo isotope amount ratio

  18. A portable analog lock-in amplifier for accurate phase measurement and application in high-precision optical oxygen concentration detection

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Chang, Jun; Wang, Fupeng; Wang, Zongliang; Wei, Wei; Liu, Yuanyuan; Qin, Zengguang

    2017-03-01

    A portable analog lock-in amplifier capable of accurate phase detection is proposed in this paper. The proposed lock-in amplifier, which uses the dual-channel orthometric signals as the references to build the xy coordinate system, can detect the relative phase between the input and x-axis based on trigonometric function. The sensitivity of the phase measurement reaches 0.014 degree, and a detection precision of 0.1 degree is achieved. At the same time, the performance of the lock-in amplifier is verified in the high precision optical oxygen concentration detection. Experimental results reveal that the portable analog lock-in amplifier is accurate for phase detection applications. In the oxygen sensing experiments, 0.058% oxygen concentration resulted in 0.1 degree phase shift detected by the lock-in amplifier precisely. In addition, the lock-in amplifier is small and economical compared with the commercial lock-in equipments, so it can be easily integrated in many portable devices for industrial applications.

  19. A portable analog lock-in amplifier for accurate phase measurement and application in high-precision optical oxygen concentration detection

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Chang, Jun; Wang, Fupeng; Wang, Zongliang; Wei, Wei; Liu, Yuanyuan; Qin, Zengguang

    2016-10-01

    A portable analog lock-in amplifier capable of accurate phase detection is proposed in this paper. The proposed lock-in amplifier, which uses the dual-channel orthometric signals as the references to build the xy coordinate system, can detect the relative phase between the input and x-axis based on trigonometric function. The sensitivity of the phase measurement reaches 0.014 degree, and a detection precision of 0.1 degree is achieved. At the same time, the performance of the lock-in amplifier is verified in the high precision optical oxygen concentration detection. Experimental results reveal that the portable analog lock-in amplifier is accurate for phase detection applications. In the oxygen sensing experiments, 0.058% oxygen concentration resulted in 0.1 degree phase shift detected by the lock-in amplifier precisely. In addition, the lock-in amplifier is small and economical compared with the commercial lock-in equipments, so it can be easily integrated in many portable devices for industrial applications.

  20. Accurate mass analysis of N-acyl-homoserine-lactones and cognate lactone-opened compounds in bacterial isolates of Pseudomonas aeruginosa PAO1 by LC-ESI-LTQ-FTICR-MS.

    PubMed

    Cataldi, Tommaso R I; Bianco, Giuliana; Abate, Salvatore

    2009-02-01

    N-acyl-homoserine-lactones (AHSLs) are widely conserved signal molecules present in quorum sensing systems of Gram-negative bacteria such as Pseudomonas aeruginosa. We present here the results obtained with a hybrid linear trap/Fourier transform ion cyclotron resonance (LTQ-FTICR) mass spectrometer used to investigate the occurrence of AHSLs and cognate N-acyl-homoserines (AHSs) in bacterial isolates of P. aeruginosa (strain PAO1). Two hydrolysed AHSs were found in significant amounts, most likely formed through the lactone opening of N-3-oxo-decanoyl-L-homoserine-lactone (3OC10-HSL) and N-3-oxo-dodecanoyl-L-homoserine-lactone (3OC12-HSL). Structure elucidation of these ring-opened molecules, i.e. N-3-oxo-decanoyl-L-homoserine (3OC10-HS), and N-3-oxo-dodecanoyl-L-homoserine (3OC12-HS), which are not detected by bacterial biosensors, was performed by high-resolution and accurate mass measurements upon liquid chromatography (LC) and confirmed by tandem MS in the LTQ analyser. Assignment of chemical formula, with mass spectra in the form of [M+H]+, was significantly expedited by extracted ion chromatograms (XICs) because the number of potentially plausible formulae for each protonated signalling molecule was considerably reduced a priori by the LC behaviour, the high mass measurement accuracy available in FTICR mass spectra and the isotopic patterns. At least two concentration levels were observed in spent culture supernatants of P. aeruginosa: compounds at a relatively high content (5-15 microM) that is C4-HSL, 3OC10-HS, and 3OC12-HS and those occurring at a lower content (<0.2 microM) that is C6-HSL and C8-HSL. The implications of this work extend to a great variety of Gram-negative bacteria.

  1. Doppler radar detection of exceptional mass-migration of aphids into Finland.

    PubMed

    Nieminen, M; Leskinen, M; Helenius, J

    2000-11-01

    Our objective was to detect mass migrations of insects of economic significance by insect traps and a Doppler weather radar. Migrants were sampled by suction traps, tow nets and light traps in the Helsinki region. We used radar to observe the migrating insects, and trajectories to backtrack mass migrations of aphids (Homoptera, Aphididae) in spring 1988. The aphid migrations were clearly observed in trap catches and by radar. The first migration, mainly involving Euceraphis betulae, occurred on 18 May and was tracked back to northern Poland. The second migration, mainly of Rhopalosiphum padi (a serious pest of small-grain cereals), occurred 3 days later and was tracked back to a large area covering Latvia and western Russia south of St Petersburg. The third migration included both E. betulae and R. padi, and took place on 30 May. It originated from Estonia. Neither trap nor radar data provide exact quantitative information on migrations. Trapping efficiency depends strongly on wind speed and insect size. Radar echo intensity is very strongly related to the sizes of insects in the large volume of air measured, and the sizes are not known accurately. Weather data, especially temperature, can be used in predicting the development of aphids, and air-parcel trajectories in estimating the source areas of migrants. These methods for forecasting aphid migrations, combined with radar observations, are useful for warning purposes and to intensify insect trapping. This would contribute to more efficient agricultural pest management.

  2. Doppler radar detection of exceptional mass-migration of aphids into Finland

    NASA Astrophysics Data System (ADS)

    Nieminen, M.; Leskinen, Matti; Helenius, Juha

    Our objective was to detect mass migrations of insects of economic significance by insect traps and a Doppler weather radar. Migrants were sampled by suction traps, tow nets and light traps in the Helsinki region. We used radar to observe the migrating insects, and trajectories to backtrack mass migrations of aphids (Homoptera, Aphididae) in spring 1988. The aphid migrations were clearly observed in trap catches and by radar. The first migration, mainly involving Euceraphis betulae, occurred on 18 May and was tracked back to northern Poland. The second migration, mainly of Rhopalosiphum padi (a serious pest of small-grain cereals), occurred 3 days later and was tracked back to a large area covering Latvia and western Russia south of St Petersburg. The third migration included both E. betulae and R. padi, and took place on 30 May. It originated from Estonia. Neither trap nor radar data provide exact quantitative information on migrations. Trapping efficiency depends strongly on wind speed and insect size. Radar echo intensity is very strongly related to the sizes of insects in the large volume of air measured, and the sizes are not known accurately. Weather data, especially temperature, can be used in predicting the development of aphids, and air-parcel trajectories in estimating the source areas of migrants. These methods for forecasting aphid migrations, combined with radar observations, are useful for warning purposes and to intensify insect trapping. This would contribute to more efficient agricultural pest management.

  3. IgD heavy-chain deposition disease: detection by laser microdissection and mass spectrometry.

    PubMed

    Royal, Virginie; Quint, Patrick; Leblanc, Martine; LeBlanc, Richard; Duncanson, Garrett F; Perrizo, Robert L; Fervenza, Fernando C; Kurtin, Paul; Sethi, Sanjeev

    2015-04-01

    Monoclonal Ig deposition disease (MIDD) is a rare complication of monoclonal gammopathy characterized by deposition of monoclonal Ig light chains and/or heavy chains along the glomerular and tubular basement membranes. Here, we describe a unique case of IgD deposition disease. IgD deposition is difficult to diagnose, because routine immunofluorescence does not detect IgD. A 77-year-old man presented with proteinuria and renal failure, and kidney biopsy analysis showed a nodular sclerosing GN with extensive focal global glomerulosclerosis, tubular atrophy, and interstitial fibrosis. Immunofluorescence was negative for Ig deposits, although electron microscopy showed deposits in the glomeruli and along tubular basement membranes. Laser microdissection of glomeruli and mass spectrometry of extracted peptides showed a large spectra number for IgD, and immunohistochemistry showed intense glomerular and tubular staining for IgD. Together, these findings are consistent with IgD deposition disease. Bone marrow biopsy analysis showed 5% plasma cells, which stained for IgD. The patient was treated with bortezomib and dexamethasone, which resulted in improvement of hematologic parameters but no improvement of renal function. The diagnosis of IgD deposition disease underscores the value of laser microdissection and mass spectrometry in further evaluating renal biopsies when routine assessment fails to reach an accurate diagnosis.

  4. Detection of intact megaDalton protein assemblies of vanillyl-alcohol oxidase by mass spectrometry.

    PubMed Central

    van Berkel, W. J.; van den Heuvel, R. H.; Versluis, C.; Heck, A. J.

    2000-01-01

    Well-resolved ion signals of intact large protein assemblies, with molecular masses extending above one million Dalton, have been detected and mass analyzed using electrospray ionization mass spectrometry, with an uncertainty in mass of <0.2%. The mass spectral data seem to reflect known solution-phase behavior of the studied protein assembly and have therefore been directly used to probe the protein assembly topology and stability as a function of ionic strength and pH. PMID:10752605

  5. Eclipsing Binaries as Astrophysical Laboratories: CM Draconis - Accurate Absolute Physical Properties of Low Mass Stars and an Independent Estimate of the Primordial Helium Abundance

    NASA Astrophysics Data System (ADS)

    McCook, G. P.; Guinan, E. F.; Saumon, D.; Kang, Y. W.

    1997-05-01

    CM Draconis (Gl 630.1; Vmax = +12.93) is an important eclipsing binary consisting of two dM4.5e stars with an orbital period of 1.2684 days. This binary is a high velocity star (s= 164 km/s) and the brighter member of a common proper motion pair with a cool faint white dwarf companion (LP 101-16). CM Dra and its white dwarf companion were once considered by Zwicky to belong to a class of "pygmy stars", but they turned out to be ordinary old, cool white dwarfs or faint red dwarfs. Lacy (ApJ 218,444L) determined the first orbital and physical properties of CM Dra from the analysis of his light and radial velocity curves. In addition to providing directly measured masses, radii, and luminosities for low mass stars, CM Dra was also recognized by Lacy and later by Paczynski and Sienkiewicz (ApJ 286,332) as an important laboratory for cosmology, as a possible old Pop II object where it may be possible to determine the primordial helium abundance. Recently, Metcalfe et al.(ApJ 456,356) obtained accurate RV measures for CM Dra and recomputed refined elements along with its helium abundance. Starting in 1995, we have been carrying out intensive RI photoelectric photometry of CM Dra to obtain well defined, accurate light curves so that its fundamental properties can be improved, and at the same time, to search for evidence of planets around the binary from planetary transit eclipses. During 1996 and 1997 well defined light curves were secured and these were combined with the RV measures of Metcalfe et al. (1996) to determine the orbital and physical parameters of the system, including a refined orbital period. A recent version of the Wilson-Devinney program was used to analyze the data. New radii, masses, mean densities, Teff, and luminosities were found as well as a re-determination of the helium abundance (Y). The results of the recent analyses of the light and RV curves will be presented and modelling results discussed. This research is supported by NSF grants AST-9315365

  6. An automatic method for fast and accurate liver segmentation in CT images using a shape detection level set method

    NASA Astrophysics Data System (ADS)

    Lee, Jeongjin; Kim, Namkug; Lee, Ho; Seo, Joon Beom; Won, Hyung Jin; Shin, Yong Moon; Shin, Yeong Gil

    2007-03-01

    Automatic liver segmentation is still a challenging task due to the ambiguity of liver boundary and the complex context of nearby organs. In this paper, we propose a faster and more accurate way of liver segmentation in CT images with an enhanced level set method. The speed image for level-set propagation is smoothly generated by increasing number of iterations in anisotropic diffusion filtering. This prevents the level-set propagation from stopping in front of local minima, which prevails in liver CT images due to irregular intensity distributions of the interior liver region. The curvature term of shape modeling level-set method captures well the shape variations of the liver along the slice. Finally, rolling ball algorithm is applied for including enhanced vessels near the liver boundary. Our approach are tested and compared to manual segmentation results of eight CT scans with 5mm slice distance using the average distance and volume error. The average distance error between corresponding liver boundaries is 1.58 mm and the average volume error is 2.2%. The average processing time for the segmentation of each slice is 5.2 seconds, which is much faster than the conventional ones. Accurate and fast result of our method will expedite the next stage of liver volume quantification for liver transplantations.

  7. Molecular mass dependence of hyaluronan detection by sandwich ELISA-like assay and membrane blotting using biotinylated hyaluronan binding protein

    PubMed Central

    Yuan, Han; Tank, Mihir; Alsofyani, Abeer; Shah, Naman; Talati, Nishant; LoBello, Jaclyn C; Kim, Jin Ryoun; Oonuki, Yoji; de la Motte, Carol A; Cowman, Mary K

    2013-01-01

    Hyaluronan (HA) is widely detected in biological samples and its concentration is most commonly determined by the use of a labeled specific HA binding protein (aggrecan G1-IGD-G2, HABP), employing membrane blotting and sandwich enzyme-linked immunosorbent assay (ELISA)-like methods. However, the detected signal intensity or the quantified value obtained by using these surface-based methods is related to the molecular mass (M) of HA, especially for HA in the low M range below ∼150 kDa. At the same mass or mass concentration, higher M HA gives a higher signal than lower M HA. We have experimentally determined the quantitative relationship between the M of HA (in the range 20–150 kDa) and the relative signal intensity in comparison with a standard HA, in a sandwich ELISA-like assay. An M-dependent signal correction factor (SCF) was calculated and used to correct the signal intensity, so that the corrected concentration value would more accurately reflect the true HA concentration in solution. The SCF for polydisperse low M HA was also calculated and compared with experimental results. When the molecular mass distribution of an HA sample is determined by a method such as gel electrophoresis, then its appropriately averaged SCF can be calculated and used to correct the signal in sandwich ELISA to obtain a more accurate concentration estimation. The correction method works for HA with M between ∼150 and 20 kDa, but lower M HA is too poorly detected for useful analysis. The physical basis of the M-dependent detection is proposed to be the increase in detector-accessible fraction of each surface-bound molecule as M increases. PMID:23964097

  8. Rapid and highly accurate detection of Drosophila suzukii, spotted wing Drosophila (Diptera: Drosophilidae) by loop-mediated isothermal amplification assays

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Drosophila suzukii, the spotted wing drosophila (SWD), is currently a major pest that causes severe economic losses to thin-skinned, small fruit growers in North America and Europe. The monitoring and early detection of SWD in the field is of the utmost importance for its proper management. Althou...

  9. Are the Original and Second Edition of the California Verbal Learning Test Equally Accurate in Detecting Malingering?

    ERIC Educational Resources Information Center

    Greve, Kevin W.; Curtis, Kelly L.; Bianchini, Kevin J.; Ord, Jonathan S.

    2009-01-01

    This two-part study sought to determine the equivalence of the California Verbal Learning Tests (CVLT-1 and CVLT-2) in the detection of malingering in traumatic brain injury (TBI) and chronic pain. Part 1 compared a variety of scores from the two versions in carefully matched patient groups. Part 2 used criterion groups (known-groups) methodology…

  10. Mode-shape-based mass detection scheme using mechanically diverse, indirectly coupled microresonator arrays

    NASA Astrophysics Data System (ADS)

    Glean, Aldo A.; Judge, John A.; Vignola, Joseph F.; Ryan, Teresa J.

    2015-02-01

    We explore vibration localization in arrays of microresonators used for ultrasensitive mass detection and describe an algorithm for identifying the location and amount of added mass using measurements of a vibration mode of the system. For a set of sensing elements coupled through a common shuttle mass, the inter-element coupling is shown to be proportional to the ratio of the element masses to the shuttle mass and to vary with the frequency mistuning between any two sensing elements. When any two elements have sufficiently similar frequencies, mass adsorption on one element can result in measurable changes to multiple modes of the system. We describe the effects on system frequencies and mode shapes due to added mass, in terms of mass ratio and frequency spacing. In cases in which modes are not fully localized, frequency-shift-based mass detection methods may give ambiguous results. The mode-shape-based detection algorithm presented uses a single measured mode shape and corresponding natural frequency to identify the location and amount of added mass. Mass detection in the presence of measurement noise is numerically simulated using a ten element sensor array. The accuracy of the detection scheme is shown to depend on the amplitude with which each element vibrates in the chosen mode.

  11. Detecting trace components in liquid chromatography/mass spectrometry data sets with two-dimensional wavelets

    NASA Astrophysics Data System (ADS)

    Compton, Duane C.; Snapp, Robert R.

    2007-09-01

    TWiGS (two-dimensional wavelet transform with generalized cross validation and soft thresholding) is a novel algorithm for denoising liquid chromatography-mass spectrometry (LC-MS) data for use in "shot-gun" proteomics. Proteomics, the study of all proteins in an organism, is an emerging field that has already proven successful for drug and disease discovery in humans. There are a number of constraints that limit the effectiveness of liquid chromatography-mass spectrometry (LC-MS) for shot-gun proteomics, where the chemical signals are typically weak, and data sets are computationally large. Most algorithms suffer greatly from a researcher driven bias, making the results irreproducible and unusable by other laboratories. We thus introduce a new algorithm, TWiGS, that removes electrical (additive white) and chemical noise from LC-MS data sets. TWiGS is developed to be a true two-dimensional algorithm, which operates in the time-frequency domain, and minimizes the amount of researcher bias. It is based on the traditional discrete wavelet transform (DWT), which allows for fast and reproducible analysis. The separable two-dimensional DWT decomposition is paired with generalized cross validation and soft thresholding. The Haar, Coiflet-6, Daubechie-4 and the number of decomposition levels are determined based on observed experimental results. Using a synthetic LC-MS data model, TWiGS accurately retains key characteristics of the peaks in both the time and m/z domain, and can detect peaks from noise of the same intensity. TWiGS is applied to angiotensin I and II samples run on a LC-ESI-TOF-MS (liquid-chromatography-electrospray-ionization) to demonstrate its utility for the detection of low-lying peaks obscured by noise.

  12. Computer-aided detection of masses in digital tomosynthesis mammography: combination of 3D and 2D detection information

    NASA Astrophysics Data System (ADS)

    Chan, Heang-Ping; Wei, Jun; Zhang, Yiheng; Moore, Richard H.; Kopans, Daniel B.; Hadjiiski, Lubomir; Sahiner, Berkman; Roubidoux, Marilyn A.; Helvie, Mark A.

    2007-03-01

    We are developing a computer-aided detection (CAD) system for masses on digital breast tomosynthesis mammograms (DBTs). The CAD system includes two parallel processes. In the first process, mass detection and feature analysis are performed in the reconstructed 3D DBT volume. A mass likelihood score is estimated for each mass candidate using a linear discriminant (LDA) classifier. In the second process, mass detection and feature analysis are applied to the individual projection view (PV) images. A mass likelihood score is estimated for each mass candidate using another LDA classifier. The mass likelihood images derived from the PVs are back-projected to the breast volume to estimate the 3D spatial distribution of the mass likelihood scores. The mass likelihood scores estimated by the two processes at the corresponding 3D location are then merged and evaluated using FROC analysis. In this preliminary study, a data set of 52 DBT cases acquired with a GE prototype system at the Massachusetts General Hospital was used. The LDA classifiers with stepwise feature selection were designed with leave-one-case-out resampling. In an FROC analysis, the CAD system for detection in the DBT volume alone achieved test sensitivities of 80% and 90% at an average FP rate of 1.6 and 3.0 per breast, respectively. In comparison, the average FP rates of the combined system were 1.2 and 2.3 per breast, respectively, at the same sensitivities. The combined system is a promising approach to improving mass detection on DBTs.

  13. Questioning the Specificity of ASRS-v1.1 to Accurately Detect ADHD in Substance Abusing Populations

    ERIC Educational Resources Information Center

    Chiasson, Jean-Pierre; Stavro, Katherine; Rizkallah, Elie; Lapierre, Luc; Dussault, Maxime; Legault, Louis; Potvin, Stephane

    2012-01-01

    Objective: To assess the specificity of the Adult ADHD Self-Report Scale (ASRS-v1.1) in detecting ADHD among individuals with substance use disorders (SUDs). Method: A chart review of 183 SUD patients was conducted. Patients were screened for ADHD with the ASRS-v1.1 and were later assessed by a psychiatrist specialized in ADHD. Results: Among SUD…

  14. Full automatic fiducial marker detection on coil arrays for accurate instrumentation placement during MRI guided breast interventions

    NASA Astrophysics Data System (ADS)

    Filippatos, Konstantinos; Boehler, Tobias; Geisler, Benjamin; Zachmann, Harald; Twellmann, Thorsten

    2010-02-01

    With its high sensitivity, dynamic contrast-enhanced MR imaging (DCE-MRI) of the breast is today one of the first-line tools for early detection and diagnosis of breast cancer, particularly in the dense breast of young women. However, many relevant findings are very small or occult on targeted ultrasound images or mammography, so that MRI guided biopsy is the only option for a precise histological work-up [1]. State-of-the-art software tools for computer-aided diagnosis of breast cancer in DCE-MRI data offer also means for image-based planning of biopsy interventions. One step in the MRI guided biopsy workflow is the alignment of the patient position with the preoperative MR images. In these images, the location and orientation of the coil localization unit can be inferred from a number of fiducial markers, which for this purpose have to be manually or semi-automatically detected by the user. In this study, we propose a method for precise, full-automatic localization of fiducial markers, on which basis a virtual localization unit can be subsequently placed in the image volume for the purpose of determining the parameters for needle navigation. The method is based on adaptive thresholding for separating breast tissue from background followed by rigid registration of marker templates. In an evaluation of 25 clinical cases comprising 4 different commercial coil array models and 3 different MR imaging protocols, the method yielded a sensitivity of 0.96 at a false positive rate of 0.44 markers per case. The mean distance deviation between detected fiducial centers and ground truth information that was appointed from a radiologist was 0.94mm.

  15. Matrix-assisted laser desorption ionization time-of-flight mass spectrometry for fast and accurate identification of clinically relevant Aspergillus species.

    PubMed

    Alanio, A; Beretti, J-L; Dauphin, B; Mellado, E; Quesne, G; Lacroix, C; Amara, A; Berche, P; Nassif, X; Bougnoux, M-E

    2011-05-01

    New Aspergillus species have recently been described with the use of multilocus sequencing in refractory cases of invasive aspergillosis. The classical phenotypic identification methods routinely used in clinical laboratories failed to identify them adequately. Some of these Aspergillus species have specific patterns of susceptibility to antifungal agents, and misidentification may lead to inappropriate therapy. We developed a matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry (MS)-based strategy to adequately identify Aspergillus species to the species level. A database including the reference spectra of 28 clinically relevant species from seven Aspergillus sections (five common and 23 unusual species) was engineered. The profiles of young and mature colonies were analysed for each reference strain, and species-specific spectral fingerprints were identified. The performance of the database was then tested on 124 clinical and 16 environmental isolates previously characterized by partial sequencing of the β-tubulin and calmodulin genes. One hundred and thirty-eight isolates of 140 (98.6%) were correctly identified. Two atypical isolates could not be identified, but no isolate was misidentified (specificity: 100%). The database, including species-specific spectral fingerprints of young and mature colonies of the reference strains, allowed identification regardless of the maturity of the clinical isolate. These results indicate that MALDI-TOF MS is a powerful tool for rapid and accurate identification of both common and unusual species of Aspergillus. It can give better results than morphological identification in clinical laboratories.

  16. Accurate determination of Curium and Californium isotopic ratios by inductively coupled plasma quadrupole mass spectrometry (ICP-QMS) in 248Cm samples for transmutation studies

    SciTech Connect

    Gourgiotis, A.; Isnard, H.; Aubert, M.; Dupont, E.; AlMahamid, I.; Cassette, P.; Panebianco, S.; Letourneau, A.; Chartier, F.; Tian, G.; Rao, L.; Lukens, W.

    2011-02-01

    The French Atomic Energy Commission has carried out several experiments including the mini-INCA (INcineration of Actinides) project for the study of minor-actinide transmutation processes in high intensity thermal neutron fluxes, in view of proposing solutions to reduce the radiotoxicity of long-lived nuclear wastes. In this context, a Cm sample enriched in {sup 248}Cm ({approx}97 %) was irradiated in thermal neutron flux at the High Flux Reactor (HFR) of the Laue-Langevin Institute (ILL). This work describes a quadrupole ICP-MS (ICP-QMS) analytical procedure for precise and accurate isotopic composition determination of Cm before sample irradiation and of Cm and Cf after sample irradiation. The factors that affect the accuracy and reproducibility of isotopic ratio measurements by ICP-QMS, such as peak centre correction, detector dead time, mass bias, abundance sensitivity and hydrides formation, instrumental background, and memory blank were carefully evaluated and corrected. Uncertainties of the isotopic ratios, taking into account internal precision of isotope ratio measurements, peak tailing, and hydrides formations ranged from 0.3% to 1.3%. This uncertainties range is quite acceptable for the nuclear data to be used in transmutation studies.

  17. An Optimized Method for Accurate Fetal Sex Prediction and Sex Chromosome Aneuploidy Detection in Non-Invasive Prenatal Testing

    PubMed Central

    Li, Haibo; Ding, Jie; Wen, Ping; Zhang, Qin; Xiang, Jingjing; Li, Qiong; Xuan, Liming; Kong, Lingyin; Mao, Yan; Zhu, Yijun; Shen, Jingjing; Liang, Bo; Li, Hong

    2016-01-01

    Massively parallel sequencing (MPS) combined with bioinformatic analysis has been widely applied to detect fetal chromosomal aneuploidies such as trisomy 21, 18, 13 and sex chromosome aneuploidies (SCAs) by sequencing cell-free fetal DNA (cffDNA) from maternal plasma, so-called non-invasive prenatal testing (NIPT). However, many technical challenges, such as dependency on correct fetal sex prediction, large variations of chromosome Y measurement and high sensitivity to random reads mapping, may result in higher false negative rate (FNR) and false positive rate (FPR) in fetal sex prediction as well as in SCAs detection. Here, we developed an optimized method to improve the accuracy of the current method by filtering out randomly mapped reads in six specific regions of the Y chromosome. The method reduces the FNR and FPR of fetal sex prediction from nearly 1% to 0.01% and 0.06%, respectively and works robustly under conditions of low fetal DNA concentration (1%) in testing and simulation of 92 samples. The optimized method was further confirmed by large scale testing (1590 samples), suggesting that it is reliable and robust enough for clinical testing. PMID:27441628

  18. Establishment of an accurate and fast detection method using molecular beacons in loop-mediated isothermal amplification assay

    PubMed Central

    Liu, Wei; Huang, Simo; Liu, Ningwei; Dong, Derong; Yang, Zhan; Tang, Yue; Ma, Wen; He, Xiaoming; Ao, Da; Xu, Yaqing; Zou, Dayang; Huang, Liuyu

    2017-01-01

    This study established a constant-temperature fluorescence quantitative detection method, combining loop-mediated isothermal amplification (LAMP) with molecular beacons. The advantages of LAMP are its convenience and efficiency, as it does not require a thermocycler and results are easily visualized by the naked eye. However, a major disadvantage of current LAMP techniques is the use of indirect evaluation methods (e.g., electrophoresis, SYBR Green I dye, precipitation, hydroxynaphthol blue dye, the turbidimetric method, calcein/Mn2+ dye, and the composite probe method), which cannot distinguish between the desired products and products of nonspecific amplification, thereby leading to false positives. Use of molecular beacons avoids this problem because molecular beacons produce fluorescence signals only when binding to target DNA, thus acting as a direct indicator of amplification products. Our analyses determined the optimal conditions for molecular beacons as an evaluation tool in LAMP: beacon length of 25–45 bp, beacon concentration of 0.6–1 pmol/μL, and reaction temperature of 60–65 °C. In conclusion, we validated a novel molecular beacon loop-mediated isothermal amplification method (MB-LAMP), realizing the direct detection of LAMP product. PMID:28059137

  19. DNA extraction techniques compared for accurate detection of genetically modified organisms (GMOs) in maize food and feed products.

    PubMed

    Turkec, Aydin; Kazan, Hande; Karacanli, Burçin; Lucas, Stuart J

    2015-08-01

    In this paper, DNA extraction methods have been evaluated to detect the presence of genetically modified organisms (GMOs) in maize food and feed products commercialised in Turkey. All the extraction methods tested performed well for the majority of maize foods and feed products analysed. However, the highest DNA content was achieved by the Wizard, Genespin or the CTAB method, all of which produced optimal DNA yield and purity for different maize food and feed products. The samples were then screened for the presence of GM elements, along with certified reference materials. Of the food and feed samples, 8 % tested positive for the presence of one GM element (NOS terminator), of which half (4 % of the total) also contained a second element (the Cauliflower Mosaic Virus 35S promoter). The results obtained herein clearly demonstrate the presence of GM maize in the Turkish market, and that the Foodproof GMO Screening Kit provides reliable screening of maize food and feed products.

  20. Nanoarray of polycyclic aromatic hydrocarbons and carbon nanotubes for accurate and predictive detection in real-world environmental humidity.

    PubMed

    Zilberman, Yael; Ionescu, Radu; Feng, Xinliang; Müllen, Klaus; Haick, Hossam

    2011-08-23

    In the present work, we introduce a cross-reactive array of synthetically designed polycyclic aromatic hydrocarbons (PAH) and single-walled carbon nanotube (SWCNT) bilayers and demonstrate the huge potential of the array in discriminating between polar and nonpolar volatile organic compounds (VOCs), as well as between the different VOCs from each subgroup. Using appropriate combinations of PAH/SWCNT sensors, we demonstrate that high sensitivity and accuracy values can be obtained for discriminating polar and nonpolar VOCs in samples with variable humidity levels (5-80% RH). The same array of sensors exhibited self-learning capabilities that facilitated exchanging information about environmental properties under observation. The results presented here could lead to the development of a cost-effective, lightweight, low-power, and non-invasive tool for a widespread detection of VOCs in real-world environmental, security, food, health, and other applications.

  1. Footpoint detection and mass-motion in chromospheric filaments

    NASA Astrophysics Data System (ADS)

    V, Aparna; Hardersen, P. S.; Martin, S. F.

    2013-07-01

    A quiescent region on the Sun containing three filaments is used to study the properties of mass motion. This study determines if the footpoints or end-points of the filaments are the locations from where mass gets injected into the filaments. Several hypotheses have been put forth in the past to determine how a filament acquires mass. Trapping of coronal mass in the filament channel due to condensation (Martin, 1996) and injection of mass into the filaments during magnetic reconnection (Priest, et al., 1995) are some of the speculations. This study looks for indications for injection of mass via chromospheric footpoints. The data consists of blue (Hα-0.5 Å) and red (Hα+0.5 Å) wing high resolution Hα images of the W29N37 region of the Sun taken on Oct 30, 2010, from 1200 - 1600 UT. The Dutch Open Telescope was used to obtain the data. The images are aligned and animated to see Doppler motion in the fibrils. Smaller fibrils merge to form longer ones; barbs appear and disappear in one of the long filaments and is seen moving along the length of the filament. A region with no typical filament-like absorption feature is observed to be continuously receiving mass. Fibrils appear to be converging from opposite sides along what appears to be a neutral line; mass motion is seen in these fibrils as well. An eruption occurs in a region of fibrils lumped together at the end of the first hour (1300 UT) followed by plage brightening at 1430 UT near one of the filament regions. Helioviewer (Panasenco, et al., 2011) is used for aligning the images; GIMP is used for precision alignment and animation. Each frame in the sequence is studied carefully to note changes in the filament regions. The footpoints of the filaments are determined by the changes observed in the position of the filament ‘legs’ in each frame. Variations in the magnetic polarity corresponding to changes observed in the chromosphere are analyzed using HMI magnetograms. Bright and dark points on the

  2. Mass Spectrometric Approaches to Detecting and Quantifying Prions

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Until recently, the use of mass spectrometry has been limited to identifying covalent posttranslational modifications of PrPSc and PrPC. These efforts support the hypothesis that PrPC and PrPSc possess identical covalent posttranslational modifications. Technical advances in instrumentation now all...

  3. Label-free imaging, detection, and mass measurement of single viruses by surface plasmon resonance

    PubMed Central

    Wang, Shaopeng; Shan, Xiaonan; Patel, Urmez; Huang, Xinping; Lu, Jin; Li, Jinghong; Tao, Nongjian

    2010-01-01

    We report on label-free imaging, detection, and mass/size measurement of single viral particles in solution by high-resolution surface plasmon resonance microscopy. Diffraction of propagating plasmon waves along a metal surface by the viral particles creates images of the individual particles, which allow us to detect the binding of the viral particles to surfaces functionalized with and without antibodies. We show that the intensity of the particle image is related to the mass of the particle, from which we determine the mass and mass distribution of influenza viral particles with a mass detection limit of approximately 1 ag (or 0.2 fg/mm2). This work demonstrates a multiplexed method to measure the masses of individual viral particles and to study the binding activity of the viral particles. PMID:20798340

  4. Development of a Computer-Aided Diagnosis System for Early Detection of Masses Using Retrospectively Detected Cancers on Prior Mammograms

    DTIC Science & Technology

    2007-06-01

    system (C) Development of image processing techniques for improvement of mass detection on prior mammograms ( D ) Continue to develop a two-view...increase the overall accuracy for detection of subtle early-stage breast cancers. 13 ( D ) Continuation of Development of a Two-view Information Fusion...Petrick, B. Sahiner, S. C. B. Lo, M. Freedman, D . Adler, J. Bailey, et al., "Sensitivity of noncommercial computer-aided detection system for

  5. Direct detection and quantification of 19-norandrosterone sulfate in human urine by liquid chromatography-linear ion trap mass spectrometry.

    PubMed

    Strahm, Emmanuel; Saudan, Christophe; Sottas, Pierre-Edouard; Mangin, Patrice; Saugy, Martial

    2007-06-01

    19-Norandrosterone sulfate (19-NAS) is the sulfoconjugated form of 19-norandrosterone (19-NA), the major metabolite of the steroid nandrolone. A sensitive and accurate liquid chromatography/tandem mass spectrometry (LC-MS/MS) assay was developed for the direct measurement of 19-NAS in human urine samples. The method involved a quaternary amine SPE protocol and subsequently injection of the extract onto an analytical column (Uptisphere ODB, 150 mm x 3.0 mm, 5 microm) for chromatographic separation and mass spectrometry detection in negative electrospray ionisation mode. The sulfoconjugate of 19-NA was identified in urine by comparison of mass spectra and retention time with a reference substance. The limit of detection (LOD) and lowest limit of quantification (LLOQ) of 19-NAS were of 40 pg/mL and 200 pg/mL, respectively. For a nominal concentration of 2 ng/mL, recovery (94%), intra-day precision (2.7%), intra-assay precision (6.6%) and inter-assay precision (14.3%) were determined. Finally, this analytical method was applied for quantifying the concentration of 19-NAS in doping samples, using calibration curves (0.2-20 ng/mL) and the standard-addition method. The results show the feasibility of applying this LC-MS/MS assay as a complementary tool to detect misuse of nandrolone or nandrolone precursors.

  6. Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data.

    PubMed

    Ubukata, Masaaki; Jobst, Karl J; Reiner, Eric J; Reichenbach, Stephen E; Tao, Qingping; Hang, Jiliang; Wu, Zhanpin; Dane, A John; Cody, Robert B

    2015-05-22

    Comprehensive two-dimensional gas chromatography (GC×GC) and high-resolution mass spectrometry (HRMS) offer the best possible separation of their respective techniques. Recent commercialization of combined GC×GC-HRMS systems offers new possibilities for the analysis of complex mixtures. However, such experiments yield enormous data sets that require new informatics tools to facilitate the interpretation of the rich information content. This study reports on the analysis of dust obtained from an electronics recycling facility by using GC×GC in combination with a new high-resolution time-of-flight (TOF) mass spectrometer. New software tools for (non-traditional) Kendrick mass defect analysis were developed in this research and greatly aided in the identification of compounds containing chlorine and bromine, elements that feature in most persistent organic pollutants (POPs). In essence, the mass defect plot serves as a visual aid from which halogenated compounds are recognizable on the basis of their mass defect and isotope patterns. Mass chromatograms were generated based on specific ions identified in the plots as well as region of the plot predominantly occupied by halogenated contaminants. Tentative identification was aided by database searches, complementary electron-capture negative ionization experiments and elemental composition determinations from the exact mass data. These included known and emerging flame retardants, such as polybrominated diphenyl ethers (PBDEs), hexabromobenzene, tetrabromo bisphenol A and tris (1-chloro-2-propyl) phosphate (TCPP), as well as other legacy contaminants such as polychlorinated biphenyls (PCBs) and polychlorinated terphenyls (PCTs).

  7. New Method for Accurate Calibration of Micro-Channel Plate based Detection Systems and its use in the Fast Plasma Investigation of NASA's Magnetospheric MultiScale Mission

    NASA Astrophysics Data System (ADS)

    Gliese, U.; Avanov, L. A.; Barrie, A.; Kujawski, J. T.; Mariano, A. J.; Tucker, C. J.; Chornay, D. J.; Cao, N. T.; Zeuch, M.; Pollock, C. J.; Jacques, A. D.

    2013-12-01

    The Fast Plasma Investigation (FPI) of the NASA Magnetospheric MultiScale (MMS) mission employs 16 Dual Electron Spectrometers (DESs) and 16 Dual Ion Spectrometers (DISs) with 4 of each type on each of 4 spacecraft to enable fast (30ms for electrons; 150ms for ions) and spatially differentiated measurements of full the 3D particle velocity distributions. This approach presents a new and challenging aspect to the calibration and operation of these instruments on ground and in flight. The response uniformity and reliability of their calibration and the approach to handling any temporal evolution of these calibrated characteristics all assume enhanced importance in this application, where we attempt to understand the meaning of particle distributions within the ion and electron diffusion regions. Traditionally, the micro-channel plate (MCP) based detection systems for electrostatic particle spectrometers have been calibrated by setting a fixed detection threshold and, subsequently, measuring a detection system count rate plateau curve to determine the MCP voltage that ensures the count rate has reached a constant value independent of further variation in the MCP voltage. This is achieved when most of the MCP pulse height distribution (PHD) is located at higher values (larger pulses) than the detection amplifier threshold. This method is adequate in single-channel detection systems and in multi-channel detection systems with very low crosstalk between channels. However, in dense multi-channel systems, it can be inadequate. Furthermore, it fails to fully and individually characterize each of the fundamental parameters of the detection system. We present a new detection system calibration method that enables accurate and repeatable measurement and calibration of MCP gain, MCP efficiency, signal loss due to variation in gain and efficiency, crosstalk from effects both above and below the MCP, noise margin, and stability margin in one single measurement. The fundamental

  8. Radio Detections During Two State Transitions of the Intermediate-Mass Black Hole HLX-1

    NASA Technical Reports Server (NTRS)

    Webb, Natalie; Cseh, David; Lenc, Emil; Godet, Olivier; Barret, Didier; Corbel, Stephane; Farrell, Sean; Fender, Robert; Gehrels, Neil; Heywood, Ian

    2012-01-01

    Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (approx. 3 to 20 solar masses) as well as supermassive black holes (approx.. 10(exp 6) to 10(exp 9) Solar Mass) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (approx. 10(exp 2) to 10(exp 5) Solar Mass), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between approx. 9 × 10(exp 3) Solar Mass and approx. 9 × 10(exp 4) Solar Mass.

  9. Computer Aided Detection of Breast Masses in Digital Tomosynthesis

    DTIC Science & Technology

    2008-06-01

    Ploeger LS, van Herk M. Evaluation of cost functions for gray value matching of two-dimensional images in radiotherapy . Med Phys 2003; 30:778–784. 32...DDSM phy- sician’s annotation. If the annotated mass was close to the breast skin line, the extracted ROI extended beyond the breast skin line, thus...the breast skin line. The false positive ROIs were extracted around normal mammographic locations that were indicated as suspicious by a feature

  10. A dried blood spot mass spectrometry metabolomic approach for rapid breast cancer detection

    PubMed Central

    Wang, Qingjun; Sun, Tao; Cao, Yunfeng; Gao, Peng; Dong, Jun; Fang, Yanhua; Fang, Zhongze; Sun, Xiaoyu; Zhu, Zhitu

    2016-01-01

    Objective Breast cancer (BC) is still a lethal threat to women worldwide. An accurate screening and diagnosis strategy performed in an easy-to-operate manner is highly warranted in clinical perspective. Besides the routinely focused protein markers, blood is full of small molecular metabolites with diverse structures and properties. This study aimed to screen metabolite markers with BC diagnosis potentials. Methods A dried blood spot-based direct infusion mass spectrometry (MS) metabolomic analysis was conducted for BC and non-BC differentiation. The targeted analytes included 23 amino acids and 26 acylcarnitines. Results Multivariate analysis screened out 21 BC-related metabolites in the blood. Regression analysis generated a diagnosis model consisting of parameters Pip, Asn, Pro, C14:1/C16, Phe/Tyr, and Gly/Ala. Tested with another set of BC and non-BC samples, this model showed a sensitivity of 92.2% and a specificity of 84.4%. Compared to the routinely used protein markers, this model exhibited distinct advantage with its higher sensitivity. Conclusion Blood metabolites screening is a more plausible approach for BC detection. Furthermore, this direct MS analysis could be finished within few minutes, which means that its throughput is higher than the currently used imaging techniques. PMID:27042107

  11. Analysis of lignans in Schisandra chinensis and rat plasma by high-performance liquid chromatography diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Lou, Ziyang; Zhang, Hai; Gong, Chungui; Zhu, Zhenyu; Zhao, Liang; Xu, Yuanjie; Wang, Bin; Zhang, Guoqing

    2009-03-01

    High-performance liquid chromatography/diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QIT-MS) were used for separation, identification and structural analysis of lignans in Schisandra chinensis and rat plasma after oral administration of the herbal extract. Six lignans in Schisandra chinensis extract were identified unambiguously by comparing the retention time, their characteristic ultraviolet (UV) absorption and accurate mass measurement. A formula database of known lignans in Schisandra chinensis was established, against which the other 15 lignans were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to distinguish the isomers, multi-stage mass spectrometry (ion trap mass spectrometry, MSn) was also used. The fragmentation behavior of the lignans in the ion trap mass spectrometer was studied by the six lignan standards, and their fragmentation rules in MSn spectra were summarized. These deduced fragmentation rules of lignans were successfully implemented in distinguishing the three groups of isomers in Schisandra chinensis by HPLC/QIT-MS. By using the three different analytical techniques, 21 lignans in Schisandra chinensis were identified within 30 min. After oral administration of the extract, 11 lignans in rat plasma were detected and identified by comparing their retention time, characteristic UV absorption and accurate mass measurement of peaks in HPLC/TOFMS chromatograms of the herbal extract. Finally, HPLC/TOFMS fingerprints of Schisandra chinensis in vitro and rat plasma in vivo were established. It is concluded that a rapid and effective method based on three analytical techniques for identification of chemical components was established, which is useful for rapid identification of multiple components in Schisandra chinensis in vitro and in vivo. In addition, it can provide help for further pharmacology and action

  12. Cosmological constraints from the CFHTLenS shear measurements using a new, accurate, and flexible way of predicting non-linear mass clustering

    NASA Astrophysics Data System (ADS)

    Angulo, Raul E.; Hilbert, Stefan

    2015-03-01

    We explore the cosmological constraints from cosmic shear using a new way of modelling the non-linear matter correlation functions. The new formalism extends the method of Angulo & White, which manipulates outputs of N-body simulations to represent the 3D non-linear mass distribution in different cosmological scenarios. We show that predictions from our approach for shear two-point correlations at 1-300 arcmin separations are accurate at the ˜10 per cent level, even for extreme changes in cosmology. For moderate changes, with target cosmologies similar to that preferred by analyses of recent Planck data, the accuracy is close to ˜5 per cent. We combine this approach with a Monte Carlo Markov chain sampler to explore constraints on a Λ cold dark matter model from the shear correlation functions measured in the Canada-France-Hawaii Telescope Lensing Survey (CFHTLenS). We obtain constraints on the parameter combination σ8(Ωm/0.27)0.6 = 0.801 ± 0.028. Combined with results from cosmic microwave background data, we obtain marginalized constraints on σ8 = 0.81 ± 0.01 and Ωm = 0.29 ± 0.01. These results are statistically compatible with previous analyses, which supports the validity of our approach. We discuss the advantages of our method and the potential it offers, including a path to model in detail (i) the effects of baryons, (ii) high-order shear correlation functions, and (iii) galaxy-galaxy lensing, among others, in future high-precision cosmological analyses.

  13. Detecting both the mass and position of an accreted particle by a micro/nano-mechanical resonator sensor.

    PubMed

    Zhang, Yin; Liu, Yun

    2014-09-02

    In the application of a micro-/nano-mechanical resonator, the position of an accreted particle and the resonant frequencies are measured by two different physical systems. Detecting the particle position sometimes can be extremely difficult or even impossible, especially when the particle is as small as an atom or a molecule. Using the resonant frequencies to determine the mass and position of an accreted particle formulates an inverse problem. The Dirac delta function and Galerkin method are used to model and formulate an eigenvalue problem of a beam with an accreted particle. An approximate method is proposed by ignoring the off-diagonal elements of the eigenvalue matrix. Based on the approximate method, the mass and position of an accreted particle can be decoupled and uniquely determined by measuring at most three resonant frequencies. The approximate method is demonstrated to be very accurate when the particle mass is small, which is the application scenario for much of the mass sensing of micro-/nano-mechanical  resonators. By solving the inverse problem,  the position measurement becomes unnecessary, which is of some help to the mass sensing application  of a micro-/nano-mechanical resonator by reducing two measurement systems to one. How to apply the method to the general scenario of multiple accreted particles is also discussed.

  14. Comparison of computerized mass detection in digital breast tomosynthesis (DBT) mammograms and conventional mammograms

    NASA Astrophysics Data System (ADS)

    Chan, Heang-Ping; Wei, Jun; Sahiner, Berkman; Hadjiiski, Lubomir; Helvie, Mark A.

    2009-02-01

    We are developing a CAD system for mass detection on digital breast tomosynthesis (DBT) mammograms. In this study, we compared the detection accuracy on DBT and conventional screen-film mammograms (SFMs). DBT mammograms were acquired with a GE prototype system at the University of Michigan. 47 cases containing the CC- and MLO-view DBT mammograms of the breast with a biopsy-proven mass and the corresponding two-view SFMs of the same breast were collected. Subjective judgment showed that the masses were much more conspicuous on DBT slices than on SFMs. The CAD system for DBT includes two parallel processes, one performs mass detection in the reconstructed DBT volume, and the other in the projection view (PV) images. The mass likelihood scores estimated for each mass candidate in the two processes are merged to differentiate masses and false positives (FPs). For detection on SFMs, we previously developed a dual system approach by fusing two single CAD systems optimized for detection of average and subtle masses, respectively. A trained neural network is used to merge the mass likelihood scores of the two single systems to reduce FPs. At the case-based sensitivities of 80% and 85%, mass detection in the DBT volume resulted in an average of 0.72 and 1.06 FPs/view, and detection in the SFMs yielded 0.94 and 1.67 FPs/view, respectively. The difference fell short of statistical significance (p=0.07) by JAFROC analysis. Study is underway to collect a larger data set and to further improve the DBT CAD system.

  15. Compact and cost-effective temperature-insensitive bio-sensor based on long-period fiber gratings for accurate detection of E. coli bacteria in water.

    PubMed

    Dandapat, Krishnendu; Tripathi, Saurabh Mani; Chinifooroshan, Yasser; Bock, Wojtek J; Mikulic, Predrag

    2016-09-15

    We propose and demonstrate a novel temperature-insensitive bio-sensor for accurate and quantitative detection of Escherichia coli (E. coli) bacteria in water. Surface sensitivity is maximized by operating the long-period fiber grating (LPFG) closest to its turnaround wavelength, and the temperature insensitivity is achieved by selectively exciting a pair of cladding modes with opposite dispersion characteristics. Our sensor shows a nominal temperature sensitivity of ∼1.25  pm/°C, which can be further reduced by properly adjusting the LPFG lengths, while maintaining a high refractive index sensitivity of 1929 nm/RIU. The overall length of the sensor is ∼3.6  cm, making it ideally suitable for bio-sensing applications. As an example, we also show the sensor's capability for reliable, quantitative detection of E. coli bacteria in water over a temperature fluctuation of room temperature to 40°C.

  16. Computer-aided detection of masses in digital tomosynthesis mammography: Comparison of three approaches

    SciTech Connect

    Chan Heangping; Wei Jun; Zhang Yiheng; Helvie, Mark A.; Moore, Richard H.; Sahiner, Berkman; Hadjiiski, Lubomir; Kopans, Daniel B.

    2008-09-15

    The authors are developing a computer-aided detection (CAD) system for masses on digital breast tomosynthesis mammograms (DBT). Three approaches were evaluated in this study. In the first approach, mass candidate identification and feature analysis are performed in the reconstructed three-dimensional (3D) DBT volume. A mass likelihood score is estimated for each mass candidate using a linear discriminant analysis (LDA) classifier. Mass detection is determined by a decision threshold applied to the mass likelihood score. A free response receiver operating characteristic (FROC) curve that describes the detection sensitivity as a function of the number of false positives (FPs) per breast is generated by varying the decision threshold over a range. In the second approach, prescreening of mass candidate and feature analysis are first performed on the individual two-dimensional (2D) projection view (PV) images. A mass likelihood score is estimated for each mass candidate using an LDA classifier trained for the 2D features. The mass likelihood images derived from the PVs are backprojected to the breast volume to estimate the 3D spatial distribution of the mass likelihood scores. The FROC curve for mass detection can again be generated by varying the decision threshold on the 3D mass likelihood scores merged by backprojection. In the third approach, the mass likelihood scores estimated by the 3D and 2D approaches, described above, at the corresponding 3D location are combined and evaluated using FROC analysis. A data set of 100 DBT cases acquired with a GE prototype system at the Breast Imaging Laboratory in the Massachusetts General Hospital was used for comparison of the three approaches. The LDA classifiers with stepwise feature selection were designed with leave-one-case-out resampling. In FROC analysis, the CAD system for detection in the DBT volume alone achieved test sensitivities of 80% and 90% at average FP rates of 1.94 and 3.40 per breast, respectively. With the

  17. Direct mass spectrometric detection of trace explosives in soil samples.

    PubMed

    Ma, Lipo; Xin, Bin; Chen, Yi

    2012-04-07

    The detection of explosives in soil is of great significance in public security programmes and environmental science. In the present work, a ppb-level method was established to directly detect the semi-volatile explosives, RDX and TNT, present in complex soil samples. The method used thermal sampling technique and a direct current atmospheric pressure glow discharge source mounted with a brass cylinder electrode (9 mm × 4.6 mm i.d./5.6 mm o.d.) to face the samples, requiring no sample pretreatment steps such as soil extraction (about ten hours). It was characterized by the merits of easy operation, high sensitivity and fast speed, and has been validated by real soil samples from various locations around a factory or firecracker releasing fields. It took only 5 min per sample, with the limit of detection down to 0.5 ppb (S/N = 3) trinitrohexahydro-1,3,5-triazine in soils heated at 170 °C. It is also extendable to the analysis of other volatile analytes.

  18. Mass detection using capacitive resonant silicon resonator employing LC resonant circuit technique.

    PubMed

    Kim, Sang-Jin; Ono, Takahito; Esashi, Masayoshi

    2007-08-01

    Capacitive resonant mass sensing using a single-crystalline silicon resonator with an electrical LC oscillator was demonstrated in ambient atmosphere. Using capacitive detection method, the detectable minimum mass of 1 x 10(-14) g was obtained in the self-oscillation of cantilever with a thickness of 250 nm. The noise amplitude of the sensor output corresponds to a vibration amplitude of 0.05 nm(Hz)(0.5) in the frequency domain compared with the actuation signal, which is equivalent to the detectable minimum capacitance variation of 2.4 x 10(-21) F. Using the capacitive detection method, mass/stress induced resonance frequency shift due to the adsorption of ethanol and moist vapor in a pure N(2) gas as a carrier is successfully demonstrated. These results show the high potential of capacitive silicon resonator for high mass/stress-sensitive sensor.

  19. Integration of continuous-flow accelerator mass spectrometry with chromatography and mass-selective detection.

    PubMed

    Flarakos, Jimmy; Liberman, Rosa G; Tannenbaum, Steven R; Skipper, Paul L

    2008-07-01

    Physical combination of an accelerator mass spectrometry (AMS) instrument with a conventional gas chromatograph-mass spectrometer (GC/MS) is described. The resulting hybrid instrument (GC/MS/AMS) was used to monitor mass chromatograms and radiochromatograms simultaneously when (14)C-labeled compounds were injected into the gas chromatograph. Combination of the two instruments was achieved by splitting the column effluent and directing half to the mass spectrometer and half to a flow-through CuO reactor in line with the gas-accepting AMS ion source. The reactor converts compounds in the GC effluent to CO2 as required for function of the ion source. With cholesterol as test compound, the limits of quantitation were 175 pg and 0.00175 dpm injected. The accuracy achieved in analysis of five nonzero calibration standards and three quality control standards, using cholesterol-2,2,3,4,4,6-d6 as injection standard, was 100 +/- 11.8% with selected ion monitoring and 100 +/- 16% for radiochromatography. Respective values for interday precision were 1.0-3.2 and 22-32%. Application of GC/MS/AMS to a current topic of interest was demonstrated in a model metabolomic study in which cultured primary hepatocytes were given [(14)C]glucose and organic acids excreted into the culture medium were analyzed.

  20. Automated Detection, Characterisation and Tracking of Solar Coronal Mass Ejections

    NASA Astrophysics Data System (ADS)

    Gallagher, Peter; Carley, Eoin; Byrne, Jason; Morgan, Huw; Refojo, Jose

    Coronal mass ejections (CMEs) are large eruptions of plasma and magnetic flux from the Sun through interplanetary space. If they impact the Earth, they can cause space weather effects that are detrimental to technological systems upon which society is highly dependent. It is therefore important to automatically identify and track CMEs in near-realtime in order to better forecast their possible arrival at Earth. Due to the diffuse nature and comparatively high speeds of CMEs, it is computationally challenging to automatically identify, characterise and track them as they move through the solar corona and inner heliosphere. Here, we review and discuss current state-of-the-art image processing techniques, and how they are being used to automatically generate catalogues of CME properties in near-realtime and for space weather purposes. Furthermore, we discus recent advances in the reconstruction and visualisation of CMEs in 3D, which is crucial to our understanding of their detailed structure and resulting evolution through space.

  1. Detection of estradiol-17β during a mass coral spawn

    NASA Astrophysics Data System (ADS)

    Atkinson, S.; Atkinson, M. J.

    1992-04-01

    The steroid estradiol-17β (E2) is associated with female gametogenesis in all vertebrates and many invertebrates. This is the first report of estrogens in scleractinian corals. Seawater and egg slicks were collected during a mass coral spawn at Ningaloo reef, Western Australia for the measurement of total phosphate (TP) and E2. Total P in the water column increased 600 times, from 0.5μM to 300μM. Concentrations of E2 increased nearly 8 fold during the spawn, from 55 to 420 pg/100 ml seawater. Coral eggs collected from egg slicks contained 368±40 pg E2/g dry wt of eggs. Estrogen may be a key hormone in a simple endocrine system of scleractinian corals that synchronizes growth and development of coral oocytes. Its potential role in triggering spawning via chemical messengers in the water column warrants further research.

  2. The role of fiber optics in mass spectrometer electro-optical ion detection

    NASA Technical Reports Server (NTRS)

    Norris, D. D.; Giffin, C. E.

    1976-01-01

    This paper describes the development of an electro-optical ion detector combining the best features of photographic and electrical ion detection (i.e., wide mass range coverage and low ion detection threshold respectively). A nineteen fold fiber optic image dissector is discussed which reformats the 1 mm x 361 mm mass spectrometer focal plane format to a 19 mm x 19 mm format suitable for vidicon imaging and electronic display of the data.

  3. Multiview-based computer-aided detection scheme for breast masses

    SciTech Connect

    Zheng Bin; Leader, Joseph K.; Abrams, Gordon S.; Lu, Amy H.; Wallace, Luisa P.; Maitz, Glenn S.; Gur, David

    2006-09-15

    In this study, we developed and tested a new multiview-based computer-aided detection (CAD) scheme that aims to maintain the same case-based sensitivity level as a single-image-based scheme while substantially increasing the number of masses being detected on both ipsilateral views. An image database of 450 four-view examinations (1800 images) was assembled. In this database, 250 cases depicted malignant masses, of which 236 masses were visible on both views and 14 masses were visible only on one view. First, we detected suspected mass regions depicted on each image in the database using a single-image-based CAD. For each identified region (with detection score{>=}0.55), we then identified a matching strip of interest on the ipsilateral view based on the projected distance to the nipple along the centerline. By lowering CAD operating threshold inside the matching strip, we searched for a region located inside the strip and paired it with the original region. A multifeature-based artificial neural network scored the likelihood of the paired ''matched'' regions representing true-positive masses. All single (unmatched) regions except for those either with very high detection scores ({>=}0.85) or those located near the chest wall that cannot be matched on the other view were discarded. The original single-image-based CAD scheme detected 186 masses (74.4% case-based sensitivity) and 593 false-positive regions. Of the 186 identified masses, 91 were detected on two views (48.9%) and 95 were detected only on one view (51.1%). Of the false-positive detections, 54 were paired on the ipsilateral view inside the corresponding matching strips and the remaining 485 were not, which represented 539 case-based false-positive detections (0.3 per image). Applying the multiview-based CAD scheme, the same case-based sensitivity was maintained while cueing 169 of 186 masses (90.9%) on both views and at the same time reducing the case-based false-positive detection rate by 23.7% (from

  4. The minimum mass of detectable planets in protoplanetary discs and the derivation of planetary masses from high-resolution observations.

    PubMed

    Rosotti, Giovanni P; Juhasz, Attila; Booth, Richard A; Clarke, Cathie J

    2016-07-01

    We investigate the minimum planet mass that produces observable signatures in infrared scattered light and submillimetre (submm) continuum images and demonstrate how these images can be used to measure planet masses to within a factor of about 2. To this end, we perform multi-fluid gas and dust simulations of discs containing low-mass planets, generating simulated observations at 1.65, 10 and 850 μm. We show that the minimum planet mass that produces a detectable signature is ∼15 M⊕: this value is strongly dependent on disc temperature and changes slightly with wavelength (favouring the submm). We also confirm previous results that there is a minimum planet mass of ∼20 M⊕ that produces a pressure maximum in the disc: only planets above this threshold mass generate a dust trap that can eventually create a hole in the submm dust. Below this mass, planets produce annular enhancements in dust outwards of the planet and a reduction in the vicinity of the planet. These features are in steady state and can be understood in terms of variations in the dust radial velocity, imposed by the perturbed gas pressure radial profile, analogous to a traffic jam. We also show how planet masses can be derived from structure in scattered light and submm images. We emphasize that simulations with dust need to be run over thousands of planetary orbits so as to allow the gas profile to achieve a steady state and caution against the estimation of planet masses using gas-only simulations.

  5. Rapid separation and identification of furocoumarins in Angelica dahurica by high-performance liquid chromatography with diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Zhang, Hai; Gong, Chungui; Lv, Lei; Xu, Yuanjie; Zhao, Liang; Zhu, Zhenyu; Chai, Yifeng; Zhang, Guoqing

    2009-07-01

    High-performance liquid chromatography with diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QITMS) were used for separation, identification and structural analysis of furocoumarins in Angelica dahurica. Two furocoumarins (imperatorin and isoimperatorin) in Angelica dahurica extract were identified unambiguously by comparing their relative retention times, characteristic ultraviolet information and accurate mass measurement. A formula database of known furocoumarins in Angelica dahurica was established, against which the other 21 furocoumarins were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to distinguish the isomers, multi-stage mass spectrometry (MSn, ion trap mass spectrometry) was used. General fragmentation behavior of the furocoumarins in the ion trap mass spectrometer was studied by the two furocoumarin standards, and their fragmentation rules in MS(n) spectra were summarized. These deduced fragmentation rules of furocoumarins were successfully implemented in distinguishing the three groups of isomers in Angelica dahurica by HPLC/QITMS. By using the three different analytical techniques, 23 furocoumarins in Angelica dahurica were tentatively identified within 30 min. Finally, HPLC/TOFMS fingerprints of Angelica dahurica were established by which it can be concluded that a rapid and effective method based on the three analytical techniques for identification of chemical components was established. This can provide help for further quality control of Angelica dahurica and pharmacology mechanism study of furocoumarins in Angelica dahurica.

  6. Application of mass spectrometry-based proteomics techniques for the detection of protein doping in sports.

    PubMed

    Kay, Richard G; Creaser, Colin S

    2010-04-01

    Mass spectrometry-based proteomic approaches have been used to develop methodologies capable of detecting the abuse of protein therapeutics such as recombinant human erythropoietin and recombinant human growth hormone. Existing detection methods use antibody-based approaches that, although effective, suffer from long assay development times and specificity issues. The application of liquid chromatography with tandem mass spectrometry and selected reaction-monitoring-based analysis has demonstrated the ability to detect and quantify existing protein therapeutics in plasma. Furthermore, the multiplexing capability of selected reaction-monitoring analysis has also aided in the detection of multiple downstream biomarkers in a single analysis, requiring less sample than existing immunological techniques. The flexibility of mass spectrometric instrumentation has shown that the technique is capable of detecting the abuse of novel and existing protein therapeutics, and has a vital role in the fight to keep sports drug-free.

  7. An Integrated Tool to Study MHC Region: Accurate SNV Detection and HLA Genes Typing in Human MHC Region Using Targeted High-Throughput Sequencing

    PubMed Central

    Liu, Xiao; Xu, Yinyin; Liang, Dequan; Gao, Peng; Sun, Yepeng; Gifford, Benjamin; D’Ascenzo, Mark; Liu, Xiaomin; Tellier, Laurent C. A. M.; Yang, Fang; Tong, Xin; Chen, Dan; Zheng, Jing; Li, Weiyang; Richmond, Todd; Xu, Xun; Wang, Jun; Li, Yingrui

    2013-01-01

    The major histocompatibility complex (MHC) is one of the most variable and gene-dense regions of the human genome. Most studies of the MHC, and associated regions, focus on minor variants and HLA typing, many of which have been demonstrated to be associated with human disease susceptibility and metabolic pathways. However, the detection of variants in the MHC region, and diagnostic HLA typing, still lacks a coherent, standardized, cost effective and high coverage protocol of clinical quality and reliability. In this paper, we presented such a method for the accurate detection of minor variants and HLA types in the human MHC region, using high-throughput, high-coverage sequencing of target regions. A probe set was designed to template upon the 8 annotated human MHC haplotypes, and to encompass the 5 megabases (Mb) of the extended MHC region. We deployed our probes upon three, genetically diverse human samples for probe set evaluation, and sequencing data show that ∼97% of the MHC region, and over 99% of the genes in MHC region, are covered with sufficient depth and good evenness. 98% of genotypes called by this capture sequencing prove consistent with established HapMap genotypes. We have concurrently developed a one-step pipeline for calling any HLA type referenced in the IMGT/HLA database from this target capture sequencing data, which shows over 96% typing accuracy when deployed at 4 digital resolution. This cost-effective and highly accurate approach for variant detection and HLA typing in the MHC region may lend further insight into immune-mediated diseases studies, and may find clinical utility in transplantation medicine research. This one-step pipeline is released for general evaluation and use by the scientific community. PMID:23894464

  8. Towards accurate assessments of CH4 and N2O soil-atmosphere exchange rates with the combination of automated systems and new detection techniques

    NASA Astrophysics Data System (ADS)

    Díaz-Pinés, E.; Wolf, B.; Kiese, R.; Butterbach-Bahl, K.

    2012-04-01

    Soils can be either a source or a sink of CH4 and N2O. Accurate assessment of CH4 and N2O soil-atmosphere exchange processes is necessary in order to estimate the contribution of soil to the global warming potential under current and future conditions. Soil-atmosphere exchange processes of both CH4 and N2O depend on a combination of soil temperature and soil moisture status, as well as on nutrient availability and various microbial processes. The task of measuring CH4 and N2O exchange processes is challenging due to, among other factors: high spatial ("hot spots") and temporal heterogeneity ("hot moments") in the emissions of these species. In addition, accurate determination of CH4 and N2O concentrations is still difficult. So far, this prevents from a full understanding and contributes to a high uncertainty degree in the assessment of CH4 and N2O soil-atmosphere exchange rates across different ecosystems. Aiming at the achievement of a deeper understanding of the role of the soil in the GHG balance, we have combined new laser spectroscopy detection techniques (Quantum Cascade Laser, QCL) with automatic and semi-automatic chamber measurement systems. Therefore, different applications will be presented: A three-month-long field campaign in a poplar plantation in NE Romania allowed us to demonstrate the feasibility of the QCL coupled with automatic chambers to accurately estimate the soil-atmosphere GHG exchange at a high time resolution with a very low detection limit. A new semi-automatic system with relatively low human-maintenance requirements was tested in a poplar plantation in SW Germany. The system is not able to record fine-scale temporal variations of the GHG exchange processes; however, cumulative fluxes obtained with the semi-automatic system were very close to those measured with an automatic system with high temporal resolution. Within a climate change experiment in grassland ecosystems, an application of the QCL in combination with a robotized chamber

  9. Reevaluating the feasibility of ground-based Earth-mass microlensing planet detections

    SciTech Connect

    Jung, Youn Kil; Park, Hyuk; Han, Cheongho; Hwang, Kyu-Ha; Shin, In-Gu; Choi, Joon-Young

    2014-05-10

    An important strength of the microlensing method to detect extrasolar planets is its high sensitivity to low-mass planets. However, many believe that microlensing detections of Earth-mass planets from ground-based observation would be difficult because of limits set by finite-source effects. This view comes from the previous estimation of planet detection probability based on the fractional deviation of planetary signals; however, a proper probability estimation is required when considering the source brightness, which is directly related to the photometric precision. In this paper, we reevaluate the feasibility of low-mass planet detections by considering photometric precision for different populations of source stars. From this, we find that the contribution of improved photometric precision to the planetary signal of a giant-source event is large enough to compensate for the decrease in magnification excess caused by finite-source effects. As a result, we conclude that giant-source events are suitable targets for Earth-mass planet detections with significantly higher detection probability than events involved with source stars of smaller radii, and we predict that Earth-mass planets could be detected by prospective high-cadence surveys.

  10. Label-Free Detection of Breast Masses Using Multiphoton Microscopy

    PubMed Central

    Lu, Jianping; Zhu, Weifeng; Qiu, Jingting; Chen, Jianxin; Xie, Shusen; Zhuo, Shuangmu; Yan, Jun

    2013-01-01

    Histopathology forms the gold standard for the diagnosis of breast cancer. Multiphoton microscopy (MPM) has been proposed to be a potentially powerful adjunct to current histopathological techniques. A label-free imaging based on two- photon excited fluorescence and second-harmonic generation is developed for differentiating normal breast tissues, benign, as well as breast cancer tissues. Human breast biopsies (including human normal breast tissues, benign as well as breast cancer tissues ) that are first imaged (fresh, unfixed, and unstained) with MPM and are then processed for routine H-E histopathology. Our results suggest that the MPM images, obtained from these unprocessed biopsies, can readily distinguish between benign lesions and breast cancers. In the tissues of breast cancers, MPM showed that the tumor cells displayed marked cellular and nuclear pleomorphism. The tumor cells, characterized by irregular size and shape, enlarged nuclei, and increased nuclear-cytoplasmic ratio, infiltrated into disrupted connective tissue, leading to the loss of second-harmonic generation signals. For breast cancer, MPM diagnosis was 100% correct because the tissues of breast cancers did not have second-harmonic generation signals in MPM imaging. On the contrary, in benign breast masses, second-harmonic generation signals could be seen easily in MPM imaging. These observations indicate that MPM could be an important potential tool to provide label-free noninvasive diagnostic impressions that can guide surgeon in biopsy and patient management. PMID:23755295

  11. Computer-aided detection of breast masses on mammograms: performance improvement using a dual system

    NASA Astrophysics Data System (ADS)

    Wei, Jun; Sahiner, Berkman; Hadjiiski, Lubomir M.; Chan, Heang-Ping; Helvie, Mark A.; Roubidoux, Marilyn A.; Petrick, Nicholas; Ge, Jun; Zhou, Chuan

    2005-04-01

    We have developed a computer-aided detection (CAD) system for breast masses on mammograms. In this study, our purpose was to improve the performance of our mass detection system by using a new dual system approach which combines a CAD system optimized with "average" masses with another CAD system optimized with subtle masses. The latter system is trained to provide high sensitivity in detecting subtle masses. For an unknown mammogram, the two systems are used in parallel to detect suspicious objects. A feed-forward backpropagation neural network trained to merge the scores of the two linear discriminant analysis (LDA) classifiers from the two systems makes the final decision in differentiation of true masses from normal tissue. A data set of 86 patients containing 172 mammograms with biopsy-proven masses was partitioned into a training set and an independent test set. This data set is referred to as the average data set. A second data set of 214 prior mammograms was used for training the second CAD system for detection of subtle masses. When the single CAD system trained on the average data set was applied to the test set, the Az for false positive (FP) classification was 0.81 and the FP rates were 2.1, 1.5 and 1.3 FPs/image at the case-based sensitivities of 95%, 90% and 85%, respectively. With the dual CAD system, the Az was 0.85 and the FP rates were improved to 1.7, 1.2 and 0.8 FPs/image at the same case-based sensitivities. Our results indicate that the dual CAD system can improve the performance of mass detection on mammograms.

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

    PubMed Central

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

    2010-01-01

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

  13. A versatile ratiometric nanosensing approach for sensitive and accurate detection of Hg(2+) and biological thiols based on new fluorescent carbon quantum dots.

    PubMed

    Fu, Huili; Ji, Zhongyin; Chen, Xuejie; Cheng, Anwei; Liu, Shucheng; Gong, Peiwei; Li, Guoliang; Chen, Guang; Sun, Zhiwei; Zhao, Xianen; Cheng, Feng; You, Jinmao

    2017-03-01

    Herein, we first reported a facile synthesis method for fabrication of highly photoluminescent carbon quantum dots (CQDs) using sodium alginate as the carbon source and histidine as both the nitrogen source and functional monomer by one-pot hydrothermal synthesis. The as-prepared CQDs gave a high quantum yield of 32%. By employing the new CQDs and rhodamine B (RhB), we demonstrated a simple, facile, sensitive, and accurate ratiometric sensor for detection of Hg(2+) and biological thiols. The photoluminescence of CQDs in the ratiometric sensor can be selectively and intensively suppressed by Hg(2+) due to strong electrostatic interaction between the surface functional groups of the CQDs and Hg(2+). When glutathione (GSH) was introduced into the "Turn Off" CQDs-RhB-Hg(2+) sensing system, the fluorescence of the CQDs can be recovered rapidly due to the stronger affinity between thiol and Hg(2+), while the fluorescence of the RhB remained constant in this sensing process. Based on the above principle, the ratiometric strategy for detecting Hg(2+) and GSH can be achieved readily, and gives satisfactory limit of detections (LODs) of 30 and 20 nM for Hg(2+) and GSH, respectively. The dual-emission fluorescent CQDs-RhB sensor does not need the complicated molecular design and the synthesis of dual-emission fluorophores. Meanwhile, the feasibility of the proposed method for analysis of water samples, food samples, and biological samples (plasma from mice oxidative stress study) was investigated. The developed ratiometric nanosensor is proven to be facile, with less sample consumption, rapid, lost cost, highly sensitive, and very selective for Hg(2+) and biological thiol detection, which offers a new approach for environmental, food, and biological analysis. Graphical abstract Ratiometric nanosensing approach detection of Hg(2+) and biological thiols.

  14. [Identification and quantitative determination of baclofen in human blood by HPLC with mass spectrometry detection].

    PubMed

    Dukova, O A; Kotlovsky, M Yu; Pokrovsky, A A; Suvorova, E V; Shivrina, T G; Krasnov, E A; Efremov, A A

    2016-03-01

    A method of identification and quantitative determination of baclofen in blood by HPLC with mass spectrometry detection has been developed. It is characterized by high sensitivity, specificity, linearity, accuracy, reproducibility, and a low detection for quantitative determination. The method has been used for diagnostics of acute baclofen poisoning in patients.

  15. Helicopter Based Magnetic Detection Of Wells At The Teapot Dome (Naval Petroleum Reserve No. 3 Oilfield: Rapid And Accurate Geophysical Algorithms For Locating Wells

    NASA Astrophysics Data System (ADS)

    Harbert, W.; Hammack, R.; Veloski, G.; Hodge, G.

    2011-12-01

    In this study Airborne magnetic data was collected by Fugro Airborne Surveys from a helicopter platform (Figure 1) using the Midas II system over the 39 km2 NPR3 (Naval Petroleum Reserve No. 3) oilfield in east-central Wyoming. The Midas II system employs two Scintrex CS-2 cesium vapor magnetometers on opposite ends of a transversely mounted, 13.4-m long horizontal boom located amidships (Fig. 1). Each magnetic sensor had an in-flight sensitivity of 0.01 nT. Real time compensation of the magnetic data for magnetic noise induced by maneuvering of the aircraft was accomplished using two fluxgate magnetometers mounted just inboard of the cesium sensors. The total area surveyed was 40.5 km2 (NPR3) near Casper, Wyoming. The purpose of the survey was to accurately locate wells that had been drilled there during more than 90 years of continuous oilfield operation. The survey was conducted at low altitude and with closely spaced flight lines to improve the detection of wells with weak magnetic response and to increase the resolution of closely spaced wells. The survey was in preparation for a planned CO2 flood to enhance oil recovery, which requires a complete well inventory with accurate locations for all existing wells. The magnetic survey was intended to locate wells that are missing from the well database and to provide accurate locations for all wells. The well location method used combined an input dataset (for example, leveled total magnetic field reduced to the pole), combined with first and second horizontal spatial derivatives of this input dataset, which were then analyzed using focal statistics and finally combined using a fuzzy combination operation. Analytic signal and the Shi and Butt (2004) ZS attribute were also analyzed using this algorithm. A parameter could be adjusted to determine sensitivity. Depending on the input dataset 88% to 100% of the wells were located, with typical values being 95% to 99% for the NPR3 field site.

  16. A colorimetric method for highly sensitive and accurate detection of iodide by finding the critical color in a color change process using silver triangular nanoplates.

    PubMed

    Yang, Xiu-Hua; Ling, Jian; Peng, Jun; Cao, Qiu-E; Ding, Zhong-Tao; Bian, Long-Chun

    2013-10-10

    In this contribution, we demonstrated a novel colorimetric method for highly sensitive and accurate detection of iodide using citrate-stabilized silver triangular nanoplates (silver TNPs). Very lower concentration of iodide can induce an appreciable color change of silver TNPs solution from blue to yellow by fusing of silver TNPs to nanoparticles, as confirmed by UV-vis absorption spectroscopy and transmission electron microscopy (TEM). The principle of this colorimetric assay is not an ordinary colorimetry, but a new colorimetric strategy by finding the critical color in a color change process. With this strategy, 0.1 μM of iodide can be recognized within 30 min by naked-eyes observation, and lower concentration of iodide down to 8.8 nM can be detected using a spectrophotometer. Furthermore, this high sensitive colorimetric assay has good accuracy, stability and reproducibility comparing with other ordinary colorimetry. We believe this new colorimetric method will open up a fresh insight of simple, rapid and reliable detection of iodide and can find its future application in the biochemical analysis or clinical diagnosis.

  17. On the detection of a cometary mass distribution. [by perturbations on space probe orbits

    NASA Technical Reports Server (NTRS)

    Boss, A. P.; Peale, S. J.

    1976-01-01

    The problem of detecting a possible cometary distribution on the fringes of the solar system is examined. The acceleration of a space probe due to a hypothetical cometary mass distribution with the surface density rising to a maximum and subsequently falling off with increasing distance from the sun is analyzed. The total minimum detectable cometary mass for the Pioneer and Mariner spacecraft is estimated on the basis of this model to be on the order of 1000 earth masses. Precision tracking of deep space probes is less sensitive by three orders of magnitude for the detection of an unseen cometary mass distribution at the fringes of the solar system than are the secular perturbations of long-period comets.

  18. Spontaneous Mass and Charge Losses from Single Multi-Megadalton Ions Studied by Charge Detection Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Keifer, David Z.; Alexander, Andrew W.; Jarrold, Martin F.

    2017-01-01

    Spontaneous mass and charge losses from individual multi-megadalton ions have been observed with charge detection mass spectrometry (CDMS) by trapping single hepatitis B virus (HBV) capsids for 3 s. Gradual increases in the oscillation frequency of single ions in the ion trap are attributed mainly to mass loss (probably solvent, water, and/or salt). The total mass lost during the 3 s trapping period peaks at around 20 kDa for 4 MDa HBV T = 4 capsids. Discrete frequency drops punctuate the gradual increases in the oscillation frequencies. The drops are attributed to a sudden loss of charge. In most cases a single positive charge is lost along with some mass (on average around 1000 Da). Charge loss occurs for over 40% of the trapped ions. It usually occurs near the beginning of the trapping event, and it occurs preferentially in regions of the trap with strong electric fields, indicating that external electric fields promote charge loss. This process may contribute to the decrease in m/z resolution that often occurs with megadalton ions.

  19. Spontaneous Mass and Charge Losses from Single Multi-Megadalton Ions Studied by Charge Detection Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Keifer, David Z.; Alexander, Andrew W.; Jarrold, Martin F.

    2017-03-01

    Spontaneous mass and charge losses from individual multi-megadalton ions have been observed with charge detection mass spectrometry (CDMS) by trapping single hepatitis B virus (HBV) capsids for 3 s. Gradual increases in the oscillation frequency of single ions in the ion trap are attributed mainly to mass loss (probably solvent, water, and/or salt). The total mass lost during the 3 s trapping period peaks at around 20 kDa for 4 MDa HBV T = 4 capsids. Discrete frequency drops punctuate the gradual increases in the oscillation frequencies. The drops are attributed to a sudden loss of charge. In most cases a single positive charge is lost along with some mass (on average around 1000 Da). Charge loss occurs for over 40% of the trapped ions. It usually occurs near the beginning of the trapping event, and it occurs preferentially in regions of the trap with strong electric fields, indicating that external electric fields promote charge loss. This process may contribute to the decrease in m/ z resolution that often occurs with megadalton ions.

  20. Combination of conspicuity improved synthetic mammograms and digital breast tomosynthesis: a promising approach for mass detection

    NASA Astrophysics Data System (ADS)

    Kim, Seong Tae; Kim, Dae Hoe; Ro, Yong Man

    2015-03-01

    In this study, a novel mass detection framework that utilizes the information from synthetic mammograms has been developed for detecting masses in digital breast tomosynthesis (DBT). In clinical study, it is demonstrated that the combination of DBT and full field digital mammography (FFDM) increases the reader performance. To reduce the radiation dose in this approach, synthetic mammogram has been developed in previous researches and it is demonstrated that synthetic mammogram can alternate the FFDM when it is used with DBT. In this study, we investigate the feasibility of the combined approach of DBT and synthetic mammogram in point of computer-aided detection (CAD). As a synthetic mammogram, two-dimensional image was generated by adopting conspicuous voxels of three-dimensional DBT volume in our study. The mass likelihood scores estimated for each mass candidates in synthetic mammogram and DBT are merged to differentiate masses and false positives (FPs) in combined approach. We compared the performance of detecting masses in the proposed combined approach and DBT alone. A clinical data set of 196 DBT volumes was used to evaluate the different detection schemes. The combined approach achieved sensitivity of 80% and 89% with 1.16 and 2.37 FPs per DBT volume. The DBT alone approach achieved same sensitivities with 1.61 and 3.46 FPs per DBT volume. Experimental results show that statistically significant improvement (p = 0.002) is achieved in combined approach compared to DBT alone. These results imply that the information fusion of synthetic mammogram and DBT is a promising approach to detect masses in DBT.

  1. Panel-based Genetic Diagnostic Testing for Inherited Eye Diseases is Highly Accurate and Reproducible and More Sensitive for Variant Detection Than Exome Sequencing

    PubMed Central

    Bujakowska, Kinga M.; Sousa, Maria E.; Fonseca-Kelly, Zoë D.; Taub, Daniel G.; Janessian, Maria; Wang, Dan Yi; Au, Elizabeth D.; Sims, Katherine B.; Sweetser, David A.; Fulton, Anne B.; Liu, Qin; Wiggs, Janey L.; Gai, Xiaowu; Pierce, Eric A.

    2015-01-01

    Purpose Next-generation sequencing (NGS) based methods are being adopted broadly for genetic diagnostic testing, but the performance characteristics of these techniques have not been fully defined with regard to test accuracy and reproducibility. Methods We developed a targeted enrichment and NGS approach for genetic diagnostic testing of patients with inherited eye disorders, including inherited retinal degenerations, optic atrophy and glaucoma. In preparation for providing this Genetic Eye Disease (GEDi) test on a CLIA-certified basis, we performed experiments to measure the sensitivity, specificity, reproducibility as well as the clinical sensitivity of the test. Results The GEDi test is highly reproducible and accurate, with sensitivity and specificity for single nucleotide variant detection of 97.9% and 100%, respectively. The sensitivity for variant detection was notably better than the 88.3% achieved by whole exome sequencing (WES) using the same metrics, due to better coverage of targeted genes in the GEDi test compared to commercially available exome capture sets. Prospective testing of 192 patients with IRDs indicated that the clinical sensitivity of the GEDi test is high, with a diagnostic rate of 51%. Conclusion The data suggest that based on quantified performance metrics, selective targeted enrichment is preferable to WES for genetic diagnostic testing. PMID:25412400

  2. A new peak detection algorithm for MALDI mass spectrometry data based on a modified Asymmetric Pseudo-Voigt model

    PubMed Central

    2015-01-01

    Background Mass Spectrometry (MS) is a ubiquitous analytical tool in biological research and is used to measure the mass-to-charge ratio of bio-molecules. Peak detection is the essential first step in MS data analysis. Precise estimation of peak parameters such as peak summit location and peak area are critical to identify underlying bio-molecules and to estimate their abundances accurately. We propose a new method to detect and quantify peaks in mass spectra. It uses dual-tree complex wavelet transformation along with Stein's unbiased risk estimator for spectra smoothing. Then, a new method, based on the modified Asymmetric Pseudo-Voigt (mAPV) model and hierarchical particle swarm optimization, is used for peak parameter estimation. Results Using simulated data, we demonstrated the benefit of using the mAPV model over Gaussian, Lorentz and Bi-Gaussian functions for MS peak modelling. The proposed mAPV model achieved the best fitting accuracy for asymmetric peaks, with lower percentage errors in peak summit location estimation, which were 0.17% to 4.46% less than that of the other models. It also outperformed the other models in peak area estimation, delivering lower percentage errors, which were about 0.7% less than its closest competitor - the Bi-Gaussian model. In addition, using data generated from a MALDI-TOF computer model, we showed that the proposed overall algorithm outperformed the existing methods mainly in terms of sensitivity. It achieved a sensitivity of 85%, compared to 77% and 71% of the two benchmark algorithms, continuous wavelet transformation based method and Cromwell respectively. Conclusions The proposed algorithm is particularly useful for peak detection and parameter estimation in MS data with overlapping peak distributions and asymmetric peaks. The algorithm is implemented using MATLAB and the source code is freely available at http://mapv.sourceforge.net. PMID:26680279

  3. Accurate detection for a wide range of mutation and editing sites of microRNAs from small RNA high-throughput sequencing profiles

    PubMed Central

    Zheng, Yun; Ji, Bo; Song, Renhua; Wang, Shengpeng; Li, Ting; Zhang, Xiaotuo; Chen, Kun; Li, Tianqing; Li, Jinyan

    2016-01-01

    Various types of mutation and editing (M/E) events in microRNAs (miRNAs) can change the stabilities of pre-miRNAs and/or complementarities between miRNAs and their targets. Small RNA (sRNA) high-throughput sequencing (HTS) profiles can contain many mutated and edited miRNAs. Systematic detection of miRNA mutation and editing sites from the huge volume of sRNA HTS profiles is computationally difficult, as high sensitivity and low false positive rate (FPR) are both required. We propose a novel method (named MiRME) for an accurate and fast detection of miRNA M/E sites using a progressive sequence alignment approach which refines sensitivity and improves FPR step-by-step. From 70 sRNA HTS profiles with over 1.3 billion reads, MiRME has detected thousands of statistically significant M/E sites, including 3′-editing sites, 57 A-to-I editing sites (of which 32 are novel), as well as some putative non-canonical editing sites. We demonstrated that a few non-canonical editing sites were not resulted from mutations in genome by integrating the analysis of genome HTS profiles of two human cell lines, suggesting the existence of new editing types to further diversify the functions of miRNAs. Compared with six existing studies or methods, MiRME has shown much superior performance for the identification and visualization of the M/E sites of miRNAs from the ever-increasing sRNA HTS profiles. PMID:27229138

  4. Single-particle aerosol mass spectrometry for the detection and identification of chemical warfare agent simulants.

    PubMed

    Martin, Audrey N; Farquar, George R; Frank, Matthias; Gard, Eric E; Fergenson, David P

    2007-08-15

    Single-particle aerosol mass spectrometry (SPAMS) was used for the real-time detection of liquid nerve agent simulants. A total of 1000 dual-polarity time-of-flight mass spectra were obtained for micrometer-sized single particles each of dimethyl methyl phosphonate, diethyl ethyl phosphonate, diethyl phosphoramidate, and diethyl phthalate using laser fluences between 0.58 and 7.83 nJ/microm2, and mass spectral variation with laser fluence was studied. The mass spectra obtained allowed identification of single particles of the chemical warfare agent (CWA) simulants at each laser fluence used although lower laser fluences allowed more facile identification. SPAMS is presented as a promising real-time detection system for the presence of CWAs.

  5. The use of transit timing to detect terrestrial-mass extrasolar planets.

    PubMed

    Holman, Matthew J; Murray, Norman W

    2005-02-25

    Future surveys for transiting extrasolar planets are expected to detect hundreds of jovian-mass planets and tens of terrestrial-mass planets. For many of these newly discovered planets, the intervals between successive transits will be measured with an accuracy of 0.1 to 100 minutes. We show that these timing measurements will allow for the detection of additional planets in the system (not necessarily transiting) by their gravitational interaction with the transiting planet. The transit-time variations depend on the mass of the additional planet, and in some cases terrestrial-mass planets will produce a measurable effect. In systems where two planets are seen to transit, the density of both planets can be determined without radial-velocity observations.

  6. Rapid and accurate measurement of left ventricular function with a new second-harmonic fast-rotating transducer and semi-automated border detection.

    PubMed

    Krenning, Boudewijn J; Voormolen, Marco M; van Geuns, Robert-Jan; Vletter, W B; Lancée, Charles T; de Jong, Nico; Ten Cate, Folkert J; van der Steen, Anton F W; Roelandt, Jos R T C

    2006-07-01

    Measurement of left ventricular (LV) volume and function are the most common clinical referral questions to the echocardiography laboratory. A fast, practical, and accurate method would offer important advantages to obtain this important information. To validate a new practical method for rapid measurement of LV volume and function. We developed a continuous fast-rotating transducer, with second-harmonic capabilities, for three-dimensional echocardiography (3DE). Fifteen cardiac patients underwent both 3DE and magnetic resonance imaging (reference method) on the same day. 3DE image acquisition was performed during a 10-second breath-hold with a frame rate of 100 frames/sec and a rotational speed of 6 rotations/sec. The individual images were postprocessed with Matlab software using multibeat data fusion. Subsequently, with these images, 12 datasets per cardiac cycle were reconstructed, each comprising seven equidistant cross-sectional images for analysis in the new TomTec 4DLV analysis software, which uses a semi-automated border detection (ABD) algorithm. The ABD requires an average analysis time of 15 minutes per patient. A strong correlation was found between LV end-diastolic volume (r = 0.99; y = 0.95x - 1.14 ml; SEE = 6.5 ml), LV end-systolic volume (r = 0.96; y = 0.89x + 7.91 ml; SEE = 7.0 ml), and LV ejection fraction (r = 0.93; y = 0.69x + 13.36; SEE = 2.4%). Inter- and intraobserver agreement for all measurements was good. The fast-rotating transducer with new ABD software is a dedicated tool for rapid and accurate analysis of LV volume and function.

  7. Determination of alkylphenol and alkylphenolethoxylates in biota by liquid chromatography with detection by tandem mass spectrometry and fluorescence spectroscopy

    USGS Publications Warehouse

    Schmitz-Afonso, I.; Loyo-Rosales, J.E.; de la Paz Aviles, M.; Rattner, B.A.; Rice, C.P.

    2003-01-01

    A quantitative method for the simultaneous determination of octylphenol, nonylphenol and the corresponding ethoxylates (1 to 5) in biota is presented. Extraction methods were developed for egg and fish matrices based on accelerated solvent extraction followed by a solid-phase extraction cleanup, using octadecylsilica or aminopropyl cartridges. Identification and quantitation were accomplished by liquid chromatography-electrospray tandem mass spectrometry (LC-MS-MS) and compared to the traditional liquid chromatography with fluorescence spectroscopy detection. LC-MS-MS provides high sensitivity and specificity required for these complex matrices and an accurate quantitation with the use of 13C-labeled internal standards. Quantitation limits by LC-MS-MS ranged from 4 to 12 ng/g in eggs, and from 6 to 22 ng/g in fish samples. These methods were successfully applied to osprey eggs from the Chesapeake Bay and fish from the Great Lakes area. Total levels found in osprey egg samples were up to 18 ng/g wet mass and as high as 8.2 ug/g wet mass in the fish samples.

  8. Rapid detection of chloramphenicol in animal products without clean-up using LC-high resolution mass spectrometry.

    PubMed

    Xu, Hong; Zhang, Jun; He, Jia; Mi, Jibo; Liu, Lishuang

    2011-10-01

    A rapid confirmatory and quantitative method using liquid chromatography-high resolution mass spectrometry (LC-HRMS) was developed to determine sub-µg/kg levels of chloramphenicol (CAP) in meat products. The sample plus deuterated chloramphenicol internal standard was homogenised, extracted with ethyl acetate, centrifuged and the supernatant evaporated to dryness. The residue was re-dissolved in methanol/5% ammonium acetate solution (20:80, v/v), defatted with hexane and directly injected into the LC-MS. Chromatographic separation was performed on a C(18) column using methanol/water (60:40, v/v) as the mobile phase. CAP was detected using selected ion monitoring of the high accurate mass of the molecular ion [M-H](-) of CAP using a LTQ-Orbitrap mass spectrometer in negative electrospray ionisation mode (ESI(-)). The limit of quantification of the method was 0.1 µg/kg using isotope internal standard. Recoveries of CAP spiked at levels of 0.1-1.0 µg/kg ranged from 73 to 99%, and the relative standard deviation ranged 3.9-8.1%.

  9. Liquid Chromatography-Mass Spectrometry Interface for Detection of Extraterrestrial Organics

    NASA Technical Reports Server (NTRS)

    Southard, Adrian E.; Getty, Stephanie A.; Balvin, Manuel; Cook, Jamie E.; Espiritu, Ana Mellina; Kotecki, Carl; Towner, Deborah W.; Dworkin, J. P.; Glavin, Daniel P.; Mahaffy, Paul R.; Ferrance, J.

    2014-01-01

    The OASIS (Organics Analyzer for Sampling Icy surfaces) microchip enables electrospray or thermospray of analyte for subsequent analysis by the OASIS time-of-flight mass spectrometer. Electrospray of buffer solution containing the nucleobase adenine was performed using the microchip and detected by a commercial time-of-flight mass spectrometer. Future testing of thermospray and electrospray capability will be performed using a test fixture and vacuum chamber developed especially for optimization of ion spray at atmosphere and in low pressure environments.

  10. Rapid detection of cocaine, benzoylecgonine and methylecgonine in fingerprints using surface mass spectrometry.

    PubMed

    Bailey, Melanie J; Bradshaw, Robert; Francese, Simona; Salter, Tara L; Costa, Catia; Ismail, Mahado; P Webb, Roger; Bosman, Ingrid; Wolff, Kim; de Puit, Marcel

    2015-09-21

    Latent fingerprints provide a potential route to the secure, high throughput and non-invasive detection of drugs of abuse. In this study we show for the first time that the excreted metabolites of drugs of abuse can be detected in fingerprints using ambient mass spectrometry. Fingerprints and oral fluid were taken from patients attending a drug and alcohol treatment service. Gas chromatography mass spectrometry (GC-MS) was used to test the oral fluid of patients for the presence of cocaine and benzoylecgonine. The corresponding fingerprints were analysed using Desorption Electrospray Ionization (DESI) which operates under ambient conditions and Ion Mobility Tandem Mass Spectrometry Matrix Assisted Laser Desorption Ionization (MALDI-IMS-MS/MS) and Secondary Ion Mass Spectrometry (SIMS). The detection of cocaine, benzoylecgonine (BZE) and methylecgonine (EME) in latent fingerprints using both DESI and MALDI showed good correlation with oral fluid testing. The sensitivity of SIMS was found to be insufficient for this application. These results provide exciting opportunities for the use of fingerprints as a new sampling medium for secure, non-invasive drug detection. The mass spectrometry techniques used here offer a high level of selectivity and consume only a small area of a single fingerprint, allowing repeat and high throughput analyses of a single sample.

  11. Atmospheric sampling glow discharge ionizataion and triple quadrupole tandem mass spectrometry for explosives vapor detection

    SciTech Connect

    McLuckey, S.A.; Goeringer, D.E.; Asano, K.G.; Hart, K.J.; Glish, G.L.; Grant, B.C.; Chambers, D.M.

    1993-08-01

    The detection and identification of trace vapors of hidden high explosives is an excellent example of a targeted analysis problem. It is desirable to push to ever lower levels the quantity or concentration of explosives material that provides an analytical signal, while at the same time discriminating against all other uninteresting material. The detection system must therefore combine high sensitivity with high specificity. This report describes the philosophy behind the use of atmospheric sampling glow discharge ionization, which is a sensitive, rugged, and convenient means for forming anions from explosives molecules, with tandem mass spectrometry, which provides unparalleled specificity in the identification of explosives-related ions. Forms of tandem mass spectrometry are compared and contrasted to provide a summary of the characteristics to be expected from an explosives detector employing mass spectrometry/mass spectrometry. The instrument developed for the FAA, an atmospheric sampling glow discharge/triple quadrupole mass spectrometer, is described in detail with particular emphasis on the ion source/spectrometer interface and on the capabilities of the spectrometer. Performance characteristics of the system are also described as they pertain to explosives of interest including a description of an automated procedure for the detection and identification of specific explosives. A comparison of various tandem mass spectrometers mated with atmospheric sampling glow discharge is then described and preliminary studies with a vapor preconcentration system provided by the FAA will be described.

  12. Application of mass spectrometry for the detection of glycation and oxidation products in milk proteins.

    PubMed

    Meltretter, Jasmin; Pischetsrieder, Monika

    2008-04-01

    Protein mass spectometry techniques, such as electrospray ionization mass spectrometry or matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS), are effective methods to screen for protein modifications derived from the Maillard reaction. The analysis of the intact proteins reveals the major modification, most commonly the Amadori product, whereas partial enzymatic hydrolysis prior to mass spectrometry additionally allows the detection of minor adducts. Therefore, a mass spectrometric method was developed for the analysis of whey protein modifications occurring during heat treatment. The two main whey proteins, alpha-lactalbumin and beta-lactoglobulin, were incubated with lactose in a milk model and modifications were recorded using MALDI-TOF-MS. The analysis of the intact proteins revealed protein species with 0-4 lactulosyl residues. Partial enzymatic hydrolysis with endoproteinase AspN prior to mass spectrometric analysis enabled the detection of further modifications and their localization in the amino acid sequence. Detected modifications were lactulosyllysine, N epsilon-(carboxymethyl)lysine, lysine aldehyde, methionine sulfoxide, cyclization of N-terminal glutamic acid to a pyrrolidone, and oxidation of cysteine or tryptophan. Protein modifications in heated milk and commercially available dairy products can be analyzed after the separation of the milk proteins using one-dimensional SDS-PAGE.

  13. Improved Peak Detection and Deconvolution of Native Electrospray Mass Spectra from Large Protein Complexes

    NASA Astrophysics Data System (ADS)

    Lu, Jonathan; Trnka, Michael J.; Roh, Soung-Hun; Robinson, Philip J. J.; Shiau, Carrie; Fujimori, Danica Galonic; Chiu, Wah; Burlingame, Alma L.; Guan, Shenheng

    2015-12-01

    Native electrospray-ionization mass spectrometry (native MS) measures biomolecules under conditions that preserve most aspects of protein tertiary and quaternary structure, enabling direct characterization of large intact protein assemblies. However, native spectra derived from these assemblies are often partially obscured by low signal-to-noise as well as broad peak shapes because of residual solvation and adduction after the electrospray process. The wide peak widths together with the fact that sequential charge state series from highly charged ions are closely spaced means that native spectra containing multiple species often suffer from high degrees of peak overlap or else contain highly interleaved charge envelopes. This situation presents a challenge for peak detection, correct charge state and charge envelope assignment, and ultimately extraction of the relevant underlying mass values of the noncovalent assemblages being investigated. In this report, we describe a comprehensive algorithm developed for addressing peak detection, peak overlap, and charge state assignment in native mass spectra, called PeakSeeker. Overlapped peaks are detected by examination of the second derivative of the raw mass spectrum. Charge state distributions of the molecular species are determined by fitting linear combinations of charge envelopes to the overall experimental mass spectrum. This software is capable of deconvoluting heterogeneous, complex, and noisy native mass spectra of large protein assemblies as demonstrated by analysis of (1) synthetic mononucleosomes containing severely overlapping peaks, (2) an RNA polymerase II/α-amanitin complex with many closely interleaved ion signals, and (3) human TriC complex containing high levels of background noise.

  14. Development of a Computer-aided Diagnosis System for Early Detection of Masses Using Retrospectively Detected Cancers on Prior Mammograms

    DTIC Science & Technology

    2009-06-01

    Computer-aided diagnosis of masses with full-field digital mammography,” Acad. Radiol. 9, 4–12 2002. 34D. Gur, J. S. Stalder, L. A. Hardesty , B. Zheng, J...A. Hardesty , W. R. Poller, R. Shah, and L. Wallace, “Changes in breast cancer detection and mammography recall rates after the introduction of a...Stalder, L. A. Hardesty , B. Zheng, J. H. Sumkin, D. M. Chough, B. E. Shindel, and H. E. Rockette, “Computer-aided detection performance in mammographic

  15. Radio detections during two state transitions of the intermediate-mass black hole HLX-1.

    PubMed

    Webb, Natalie; Cseh, David; Lenc, Emil; Godet, Olivier; Barret, Didier; Corbel, Stephane; Farrell, Sean; Fender, Robert; Gehrels, Neil; Heywood, Ian

    2012-08-03

    Relativistic jets are streams of plasma moving at appreciable fractions of the speed of light. They have been observed from stellar-mass black holes (~3 to 20 solar masses, M(⊙)) as well as supermassive black holes (~10(6) to 10(9) M(⊙)) found in the centers of most galaxies. Jets should also be produced by intermediate-mass black holes (~10(2) to 10(5) M(⊙)), although evidence for this third class of black hole has, until recently, been weak. We report the detection of transient radio emission at the location of the intermediate-mass black hole candidate ESO 243-49 HLX-1, which is consistent with a discrete jet ejection event. These observations also allow us to refine the mass estimate of the black hole to be between ~9 × 10(3) M(⊙) and ~9 × 10(4) M(⊙).

  16. GaAs Coupled Micro Resonators with Enhanced Sensitive Mass Detection

    PubMed Central

    Chopard, Tony; Lacour, Vivien; Leblois, Therese

    2014-01-01

    This work demonstrates the improvement of mass detection sensitivity and time response using a simple sensor structure. Indeed, complicated technological processes leading to very brittle sensing structures are often required to reach high sensitivity when we want to detect specific molecules in biological fields. These developments constitute an obstacle to the early diagnosis of diseases. An alternative is the design of coupled structures. In this study, the device is based on the piezoelectric excitation and detection of two GaAs microstructures vibrating in antisymmetric modes. GaAs is a crystal which has the advantage to be micromachined easily using typical clean room processes. Moreover, we showed its high potential in direct biofunctionalisation for use in the biological field. A specific design of the device was performed to improve the detection at low mass and an original detection method has been developed. The principle is to exploit the variation in amplitude at the initial resonance frequency which has in the vicinity of weak added mass the greatest slope. Therefore, we get a very good resolution for an infinitely weak mass: relative voltage variation of 8%/1 fg. The analysis is based on results obtained by finite element simulation. PMID:25474375

  17. GaAs coupled micro resonators with enhanced sensitive mass detection.

    PubMed

    Chopard, Tony; Lacour, Vivien; Leblois, Therese

    2014-12-02

    This work demonstrates the improvement of mass detection sensitivity and time response using a simple sensor structure. Indeed, complicated technological processes leading to very brittle sensing structures are often required to reach high sensitivity when we want to detect specific molecules in biological fields. These developments constitute an obstacle to the early diagnosis of diseases. An alternative is the design of coupled structures. In this study, the device is based on the piezoelectric excitation and detection of two GaAs microstructures vibrating in antisymmetric modes. GaAs is a crystal which has the advantage to be micromachined easily using typical clean room processes. Moreover, we showed its high potential in direct biofunctionalisation for use in the biological field. A specific design of the device was performed to improve the detection at low mass and an original detection method has been developed. The principle is to exploit the variation in amplitude at the initial resonance frequency which has in the vicinity of weak added mass the greatest slope. Therefore, we get a very good resolution for an infinitely weak mass: relative voltage variation of 8%/1 fg. The analysis is based on results obtained by finite element simulation.

  18. The Mass-Radius-Eccentricity Distribution of Near-Resonant Transiting Exoplanet Pairs Detected by Kepler

    NASA Astrophysics Data System (ADS)

    Shabram, Megan; Jontof-Hutter, Daniel; Ford, Eric B.

    2015-12-01

    We characterize the mass-radius-eccentricity distribution of transiting planets near first-order mean motion resonances using Transit Timing Variation (TTV) observations from NASA's Kepler mission. Kepler's precise measurements of transit times (Mazeh et al. 2014; Rowe et al. 2015) constrain the planet-star mass ratio, eccentricity and pericenter directions for hundreds of planets. Strongly-interacting planetary systems allow TTVs to provide precise measurements of masses and orbital eccentricities separately (e.g., Kepler-36, Carter et al. 2012). In addition to these precisely characterized planetary systems, there are several systems harboring at least two planets near a mean motion resonance (MMR) for which TTVs provide a joint constraint on planet masses, eccentricities and pericenter directions (Hadden et al. 2015). Unfortunately, a near degeneracy between these parameters leads to a posterior probability density with highly correlated uncertainties. Nevertheless, the population encodes valuable information about the distribution of planet masses, orbital eccentricities and the planet mass-radius relationship. We characterize the distribution of masses and eccentricities for near-resonant transiting planets by combining a hierarchical Bayesian model with an analytic model for the TTV signatures of near-resonant planet pairs (Lithwick & Wu 2012). By developing a rigorous statistical framework for analyzing the TTV signatures of a population of planetary systems, we significantly improve upon previous analyses. For example, our analysis includes transit timing measurements of near-resonant transiting planet pairs regardless of whether there is a significant detection of TTVs, thereby avoiding biases due to only including TTV detections.

  19. Rapid Detection of Ricin in Serum Based on Cu-Chelated Magnetic Beads Using Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Zhao, Yong-Qiang; Song, Jian; Wang, Hong-Li; Xu, Bin; Liu, Feng; He, Kun; Wang, Na

    2016-04-01

    The protein toxin ricin obtained from castor bean plant (Ricinus communis) seeds is a potent biological warfare agent due to its ease of availability and acute toxicity. In this study, we demonstrated a rapid and simple method to detect ricin in serum in vitro. The ricin was mixed with serum and digested by trypsin, then all the peptides were efficiently extracted using Cu-chelated magnetic beads and were detected with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The specific ricin peptides were identified by Nanoscale Ultra Performance liquid chromatography coupled to tandem mass spectrometry according to their sequences. The assay required 2.5 hours, and a characteristic peptide could be detected down to 4 ng/μl and used as a biomarker to detect ricin in serum. The high sensitivity and simplicity of the procedure makes it valuable in clinical practice.

  20. Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data

    PubMed Central

    Treutler, Hendrik; Neumann, Steffen

    2016-01-01

    Mass spectrometry is a key analytical platform for metabolomics. The precise quantification and identification of small molecules is a prerequisite for elucidating the metabolism and the detection, validation, and evaluation of isotope clusters in LC-MS data is important for this task. Here, we present an approach for the improved detection of isotope clusters using chemical prior knowledge and the validation of detected isotope clusters depending on the substance mass using database statistics. We find remarkable improvements regarding the number of detected isotope clusters and are able to predict the correct molecular formula in the top three ranks in 92% of the cases. We make our methodology freely available as part of the Bioconductor packages xcms version 1.50.0 and CAMERA version 1.30.0. PMID:27775610

  1. First screening method for the simultaneous detection of seven allergens by liquid chromatography mass spectrometry.

    PubMed

    Heick, J; Fischer, M; Pöpping, B

    2011-02-18

    The development of a multi-method for the detection of seven allergens based on liquid chromatography and triple-quadrupole tandem mass spectrometry in multiple reaction mode is described. It is based on extraction of the allergenic proteins from a food matrix, followed by enzymatic digestion with trypsin. The chosen marker peptides were implemented into one method that is capable of the simultaneous detection of milk, egg, soy, hazelnut, peanut, walnut and almond. This method has been used to detect all seven allergenic commodities from incurred reference bread material, which was baked according to a standard recipe from the baking industry. Detected concentrations ranged from 10 to 1000 μg/g, demonstrating that the mass spectrometric based method is a useful tool for allergen screening.

  2. Ultrasensitive detection of explosives and chemical warfare agents by low-pressure photoionization mass spectrometry.

    PubMed

    Sun, Wanqi; Liang, Miao; Li, Zhen; Shu, Jinian; Yang, Bo; Xu, Ce; Zou, Yao

    2016-08-15

    On-spot monitoring of threat agents needs high sensitive instrument. In this study, a low-pressure photoionization mass spectrometer (LPPI-MS) was employed to detect trace amounts of vapor-phase explosives and chemical warfare agent mimetics under ambient conditions. Under 10-s detection time, the limits of detection of 2,4-dinitrotoluene, nitrotoluene, nitrobenzene, and dimethyl methyl phosphonate were 30, 0.5, 4, and 1 parts per trillion by volume, respectively. As compared to those obtained previously with PI mass spectrometric techniques, an improvement of 3-4 orders of magnitude was achieved. This study indicates that LPPI-MS will open new opportunities for the sensitive detection of explosives and chemical warfare agents.

  3. Rapid Detection of Ricin in Serum Based on Cu-Chelated Magnetic Beads Using Mass Spectrometry.

    PubMed

    Zhao, Yong-Qiang; Song, Jian; Wang, Hong-Li; Xu, Bin; Liu, Feng; He, Kun; Wang, Na

    2016-04-01

    The protein toxin ricin obtained from castor bean plant (Ricinus communis) seeds is a potent biological warfare agent due to its ease of availability and acute toxicity. In this study, we demonstrated a rapid and simple method to detect ricin in serum in vitro. The ricin was mixed with serum and digested by trypsin, then all the peptides were efficiently extracted using Cu-chelated magnetic beads and were detected with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The specific ricin peptides were identified by Nanoscale Ultra Performance liquid chromatography coupled to tandem mass spectrometry according to their sequences. The assay required 2.5 hours, and a characteristic peptide could be detected down to 4 ng/μl and used as a biomarker to detect ricin in serum. The high sensitivity and simplicity of the procedure makes it valuable in clinical practice. Graphical Abstract ᅟ.

  4. A sensitive and accurate method for the determination of perfluoroalkyl and polyfluoroalkyl substances in human serum using a high performance liquid chromatography-online solid phase extraction-tandem mass spectrometry.

    PubMed

    Yu, Chang Ho; Patel, Bhupendra; Palencia, Marilou; Fan, Zhihua Tina

    2017-01-13

    A selective, sensitive, and accurate analytical method for the measurement of perfluoroalkyl and polyfluoroalkyl substances (PFASs) in human serum, utilizing LC-MS/MS (liquid chromatography-tandem mass spectrometry), was developed and validated according to the Centers for Disease Control and Prevention (CDC) guidelines for biological sample analysis. Tests were conducted to determine the optimal analytical column, mobile phase composition and pH, gradient program, and cleaning procedure. The final analytical column selected for analysis was an extra densely bonded silica-packed reverse-phase column (Agilent XDB-C8, 3.0×100mm, 3.5μm). Mobile phase A was an aqueous buffer solution containing 10mM ammonium acetate (pH=4.3). Mobile phase B was a mixture of methanol and acetonitrile (1:1, v/v). The gradient program was programmed by initiating a fast elution (%B, from 40 to 65%) between 1.0 and 1.5min, followed by a slow elution (%B: 65-80%) in the period of 1.5-7.5min. The cleanup procedures were augmented by cleaning with (1) various solvents (isopropyl alcohol, methanol, acetonitrile, and reverse osmosis-purified water); (2) extensive washing steps for the autosampler and solid phase extraction (SPE) cartridge; and (3) a post-analysis cleaning step for the whole system. Under the above conditions, the resolution and sensitivity were significantly improved. Twelve target PFASs were baseline-separated (2.5-7.0min) within a 10-min of acquisition time. The limits of detection (LODs) were 0.01ng/mL or lower for all of the target compounds, making this method 5 times more sensitive than previously published methods. The newly developed method was validated in the linear range of 0.01-50ng/mL, and the accuracy (recovery between 80 and 120%) and precision (RSD<20%) were acceptable at three spiked levels (0.25, 2.5, and 25ng/mL). The method development and validation results demonstrated that this method was precise, accurate, and robust, with high-throughput (∼10min per

  5. Accurate and reliable quantification of 25-hydroxy-vitamin D species by liquid chromatography high-resolution tandem mass spectrometry[S

    PubMed Central

    Liebisch, Gerhard; Matysik, Silke

    2015-01-01

    In general, mass spectrometric quantification of small molecules in routine laboratory testing utilizes liquid chromatography coupled to low mass resolution triple-quadrupole mass spectrometers (QQQs). Here we introduce high-resolution tandem mass spectrometry (quadrupole-Orbitrap) for the quantification of 25-hydroxy-vitamin D [25(OH)D], a marker of the vitamin D status, because the specificity of 25(OH)D immunoassays is still questionable and mass spectrometric quantification is becoming increasingly important. Liquid chromatography coupled to high-resolution tandem mass spectrometry (LC-MS/HR-MS) was used to quantify 25-hydroxy-cholecalciferol [25(OH)D3], 25-hydroxy-ergocalciferol [25(OH)D2], and their C3-epimers 3-epi-25(OH)D3 and 3-epi-25(OH)D2. The method has a run time of 5 min and was validated according to the US Food and Drug Administration and the European Medicines Agency guidelines. High mass resolution was advantageously applied to separate a quasi-isobaric interference of the internal standard D6-25(OH)D2 with 3-epi-25(OH)D3. All analytes showed an imprecision of below 10% coefficient of variation (CV), trueness between 90% and 110%, and limits of quantification below 10 nM. Concentrations measured by LC-MS/HR-MS are in good agreement with those of the National Institute of Standards and Technology reference methods using LC-MS/MS (QQQ). In conclusion, quantification of 25(OH)D by LC-MS/HR-MS is applicable for routine testing and also holds promise for highly specific quantification of other small molecules. PMID:25833687

  6. Plasma pencil atmospheric mass spectrometry detection of positive ions from micronutrients emitted from surfaces.

    PubMed

    Stein, M Jeanette; Lo, Edward; Castner, David G; Ratner, Buddy D

    2012-02-07

    Analysis and detection of micronutrients is important for the reduction of the global burden of malnutrition-related disease. A relatively new technique, plasma pencil atmospheric mass spectrometry (PPAMS) was applied in a comprehensive evaluation for rapid, simultaneous detection of the key micronutrients zinc, iron, folate, vitamin A, and iodine. PPAMS was performed through the coupling of a low-temperature plasma pencil to an atmospheric mass spectrometer. The effectiveness of the PPAMS system was demonstrated through the generation of characteristic mass spectra and tandem mass spectra on neat micronutrient powders suspended on double-sided tape. The analytical performance and ability to qualitatively separate out the nutrients from a complex biological solution and each other was then assessed through the application of PPAMS on a sample matrix of micronutrients in porcine plasma in which nutrient concentration is varied from high blood level concentrations (HBLCs) to low blood level concentrations (LBLCs). A multivariate analysis method, principal component analysis (PCA), was then used to qualitatively separate the fragments obtained by nutrient type. The resulting plots of PCA scores of the positive-ion spectra from each mixed sample showed excellent separation of HBLCs and LBLCs of single nutrients at the 95% confidence level (Wagner et al. Langmuir 2001, 17, 4649-4660). The associated plots of PCA loadings showed that key loadings could be attributed to the expected micronutrient fragments. The PPAMS technique was successfully demonstrated and compared with traditional MS techniques: time-of-flight secondary ion mass spectrometry (ToF-SIMS) and electrospray ionization mass spectrometry (ESI-MS). Separation of the nutrients at concentrations relevant for human blood-based nutrient detection was possible by both ESI-MS and PPAMS. However, only PPAMS could detect the nutrients at physiological concentrations from porcine plasma. ToF-SIMS could detect the

  7. Development and validation of a high-performance liquid chromatography-fluorescence detection method for the accurate quantification of colistin in human plasma.

    PubMed

    Chepyala, Divyabharathi; Tsai, I-Lin; Sun, Hsin-Yun; Lin, Shu-Wen; Kuo, Ching-Hua

    2015-02-01

    Recently, colistin has become one of the most important drugs for treating infections caused by multidrug-resistant Gram-negative bacteria. Therapeutic drug monitoring is recommended to ensure the safety and efficacy of colistin and to improve clinical outcomes. This study developed an accurate and sensitive high-performance liquid chromatography-fluorescence detection (HPLC-FLD) method for the quantification of colistin in human plasma. The sample preparation included protein precipitation using trichloroacetic acid (TCA) and methanol, followed by in-solid phase extraction (In-SPE) derivatization with 9-fluorenylmethyl chloroformate (FMOC-Cl). A Poroshell 120 EC-C18 2.1×100mm (2.7μm) column was used in the HPLC method with a mobile phase composed of acetonitrile (ACN), tetrahydrofuran (THF), and deionized (DI) water (82%, 2%, 16% (v/v), respectively). Polymyxin B1 was used as the internal standard. The total analysis time was 22min under optimal separation conditions. The HPLC-FLD method was validated over a therapeutic range of 0.3-6.0μgmL(-1). The intra-day and inter-day precisions for colistin A and colistin B were below 9.9% and 4.5% relative standard deviations, respectively. The accuracy test results were between 100.2 and 118.4%. The extraction recoveries were between 81.6 and 94.1%. The method was linear over the test range, with a 0.9991 coefficient of determination. The limit of detection was 0.1μgmL(-1). The validated HPLC-FLD method was successfully applied to quantify the colistin concentrations in 2 patient samples for therapeutic drug monitoring.

  8. Performance of a Micro-Strip Gas Chamber for event wise, high rate thermal neutron detection with accurate 2D position determination

    NASA Astrophysics Data System (ADS)

    Mindur, B.; Alimov, S.; Fiutowski, T.; Schulz, C.; Wilpert, T.

    2014-12-01

    A two-dimensional (2D) position sensitive detector for neutron scattering applications based on low-pressure gas amplification and micro-strip technology was built and tested with an innovative readout electronics and data acquisition system. This detector contains a thin solid neutron converter and was developed for time- and thus wavelength-resolved neutron detection in single-event counting mode, which improves the image contrast in comparison with integrating detectors. The prototype detector of a Micro-Strip Gas Chamber (MSGC) was built with a solid natGd/CsI thermal neutron converter for spatial resolutions of about 100 μm and counting rates up to 107 neutrons/s. For attaining very high spatial resolutions and counting rates via micro-strip readout with centre-of-gravity evaluation of the signal amplitude distributions, a fast, channel-wise, self-triggering ASIC was developed. The front-end chips (MSGCROCs), which are very first signal processing components, are read out into powerful ADC-FPGA boards for on-line data processing and thereafter via Gigabit Ethernet link into the data receiving PC. The workstation PC is controlled by a modular, high performance dedicated software suite. Such a fast and accurate system is crucial for efficient radiography/tomography, diffraction or imaging applications based on high flux thermal neutron beam. In this paper a brief description of the detector concept with its operation principles, readout electronics requirements and design together with the signals processing stages performed in hardware and software are presented. In more detail the neutron test beam conditions and measurement results are reported. The focus of this paper is on the system integration, two dimensional spatial resolution, the time resolution of the readout system and the imaging capabilities of the overall setup. The detection efficiency of the detector prototype is estimated as well.

  9. Functional Polymers in Protein Detection Platforms: Optical, Electrochemical, Electrical, Mass-Sensitive, and Magnetic Biosensors

    PubMed Central

    Hahm, Jong-in

    2011-01-01

    The rapidly growing field of proteomics and related applied sectors in the life sciences demands convenient methodologies for detecting and measuring the levels of specific proteins as well as for screening and analyzing for interacting protein systems. Materials utilized for such protein detection and measurement platforms should meet particular specifications which include ease-of-mass manufacture, biological stability, chemical functionality, cost effectiveness, and portability. Polymers can satisfy many of these requirements and are often considered as choice materials in various biological detection platforms. Therefore, tremendous research efforts have been made for developing new polymers both in macroscopic and nanoscopic length scales as well as applying existing polymeric materials for protein measurements. In this review article, both conventional and alternative techniques for protein detection are overviewed while focusing on the use of various polymeric materials in different protein sensing technologies. Among many available detection mechanisms, most common approaches such as optical, electrochemical, electrical, mass-sensitive, and magnetic methods are comprehensively discussed in this article. Desired properties of polymers exploited for each type of protein detection approach are summarized. Current challenges associated with the application of polymeric materials are examined in each protein detection category. Difficulties facing both quantitative and qualitative protein measurements are also identified. The latest efforts on the development and evaluation of nanoscale polymeric systems for improved protein detection are also discussed from the standpoint of quantitative and qualitative measurements. Finally, future research directions towards further advancements in the field are considered. PMID:21691441

  10. Functional polymers in protein detection platforms: optical, electrochemical, electrical, mass-sensitive, and magnetic biosensors.

    PubMed

    Hahm, Jong-in

    2011-01-01

    The rapidly growing field of proteomics and related applied sectors in the life sciences demands convenient methodologies for detecting and measuring the levels of specific proteins as well as for screening and analyzing for interacting protein systems. Materials utilized for such protein detection and measurement platforms should meet particular specifications which include ease-of-mass manufacture, biological stability, chemical functionality, cost effectiveness, and portability. Polymers can satisfy many of these requirements and are often considered as choice materials in various biological detection platforms. Therefore, tremendous research efforts have been made for developing new polymers both in macroscopic and nanoscopic length scales as well as applying existing polymeric materials for protein measurements. In this review article, both conventional and alternative techniques for protein detection are overviewed while focusing on the use of various polymeric materials in different protein sensing technologies. Among many available detection mechanisms, most common approaches such as optical, electrochemical, electrical, mass-sensitive, and magnetic methods are comprehensively discussed in this article. Desired properties of polymers exploited for each type of protein detection approach are summarized. Current challenges associated with the application of polymeric materials are examined in each protein detection category. Difficulties facing both quantitative and qualitative protein measurements are also identified. The latest efforts on the development and evaluation of nanoscale polymeric systems for improved protein detection are also discussed from the standpoint of quantitative and qualitative measurements. Finally, future research directions towards further advancements in the field are considered.

  11. Differential Label-free Quantitative Proteomic Analysis of Shewanella oneidensis Cultured under Aerobic and Suboxic Conditions by Accurate Mass and Time Tag Approach

    SciTech Connect

    Fang, Ruihua; Elias, Dwayne A.; Monroe, Matthew E.; Shen, Yufeng; McIntosh, Martin; Wang, Pei; Goddard, Carrie D.; Callister, Stephen J.; Moore, Ronald J.; Gorby, Yuri A.; Adkins, Joshua N.; Fredrickson, Jim K.; Lipton, Mary S.; Smith, Richard D.

    2006-04-01

    We describe the application of liquid chromatography coupled to mass spectrometry (LC/MS) without the use of stable isotope labeling for differential quantitative proteomics analysis of whole cell lysates of Shewanella oneidensis MR-1 cultured under aerobic and sub-oxic conditions. Liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) was used to initially identify peptide sequences, and LC coupled to Fourier transform ion cyclotron resonance mass spectrometry (LC-FTICR) was used to confirm these identifications, as well as measure relative peptide abundances. 2343 peptides, covering 668 proteins were identified with high confidence and quantified. Among these proteins, a subset of 56 changed significantly using statistical approaches such as SAM, while another subset of 56 that were annotated as performing housekeeping functions remained essentially unchanged in relative abundance. Numerous proteins involved in anaerobic energy metabolism exhibited up to a 10-fold increase in relative abundance when S. oneidensis is transitioned from aerobic to sub-oxic conditions.

  12. Computer-aided detection of breast masses on full field digital mammograms

    PubMed Central

    Wei, Jun; Sahiner, Berkman; Hadjiiski, Lubomir M.; Chan, Heang-Ping; Petrick, Nicholas; Helvie, Mark A.; Roubidoux, Marilyn A.; Ge, Jun; Zhou, Chuan

    2009-01-01

    We are developing a computer-aided detection (CAD) system for breast masses on full field digital mammographic (FFDM) images. To develop a CAD system that is independent of the FFDM manufacturer’s proprietary preprocessing methods, we used the raw FFDM image as input and developed a multiresolution preprocessing scheme for image enhancement. A two-stage prescreening method that combines gradient field analysis with gray level information was developed to identify mass candidates on the processed images. The suspicious structure in each identified region was extracted by clustering-based region growing. Morphological and spatial gray-level dependence texture features were extracted for each suspicious object. Stepwise linear discriminant analysis (LDA) with simplex optimization was used to select the most useful features. Finally, rule-based and LDA classifiers were designed to differentiate masses from normal tissues. Two data sets were collected: a mass data set containing 110 cases of two-view mammograms with a total of 220 images, and a no-mass data set containing 90 cases of two-view mammograms with a total of 180 images. All cases were acquired with a GE Senographe 2000D FFDM system. The true locations of the masses were identified by an experienced radiologist. Free-response receiver operating characteristic analysis was used to evaluate the performance of the CAD system. It was found that our CAD system achieved a case-based sensitivity of 70%, 80%, and 90% at 0.72, 1.08, and 1.82 false positive (FP) marks/image on the mass data set. The FP rates on the no-mass data set were 0.85, 1.31, and 2.14 FP marks/image, respectively, at the corresponding sensitivities. This study demonstrated the usefulness of our CAD techniques for automated detection of masses on FFDM images. PMID:16266097

  13. A Comprehensive Review of School-Based Body Mass Index Screening Programs and Their Implications for School Health: Do the Controversies Accurately Reflect the Research?

    ERIC Educational Resources Information Center

    Ruggieri, Dominique G.; Bass, Sarah B.

    2015-01-01

    Background: Whereas legislation for body mass index (BMI) surveillance and screening programs has passed in 25 states, the programs are often subject to ethical debates about confidentiality and privacy, school-to-parent communication, and safety and self-esteem issues for students. Despite this debate, no comprehensive analysis has been completed…

  14. Specific determination of benzene in urine using dynamic headspace and mass-selective detection.

    PubMed

    Ljungkvist, G; Lärstad, M; Mathiasson, L

    1999-01-08

    A method for the determination of benzene in urine was developed, based on dynamic headspace and preconcentration of the analyte on a solid sorbent. The subsequent analysis by thermal desorption of the sorbent, capillary gas chromatography and mass-selective detection ascertained a low limit of detection (6.5 ng/l) and a highly specific determination. The limit of detection is an order of magnitude lower than that reported earlier and allows reliable quantitation of occupational exposure and of most environmental exposures. Samples could be stored frozen for at least a month without significant loss.

  15. Optically detected, single nanoparticle mass spectrometer with pre-filtered electrospray nanoparticle source

    SciTech Connect

    Howder, Collin R.; Bell, David M.; Anderson, Scott L.

    2014-01-15

    An instrument designed for non-destructive mass analysis of single trapped nanoparticles is described. The heart of the instrument is a 3D quadrupole (Paul) trap constructed to give optical access to the trap center along ten directions, allowing passage of lasers for particle heating and detection, particle injection, collection of scattered or fluorescent photons for particle detection and mass analysis, and collection of particles on TEM grids for analysis, as needed. Nanoparticles are injected using an electrospray ionization (ESI) source, and conditions are described for spraying and trapping polymer particles, bare metal particles, and ligand stabilized particles with masses ranging from 200 kDa to >3 GDa. Conditions appropriate to ESI and injection of different types of particles are described. The instrument is equipped with two ion guides separating the ESI source and nanoparticle trap. The first ion guide is mostly to allow desolvation and differential pumping before the particles enter the trap section of the instrument. The second is a linear quadrupole guide, which can be operated in mass selective or mass band-pass modes to limit transmission to species with mass-to-charge ratios in the range of interest. With a little experience, the design allows injection of single particles into the trap upon demand.

  16. Autopiquer - a Robust and Reliable Peak Detection Algorithm for Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Kilgour, David P. A.; Hughes, Sam; Kilgour, Samantha L.; Mackay, C. Logan; Palmblad, Magnus; Tran, Bao Quoc; Goo, Young Ah; Ernst, Robert K.; Clarke, David J.; Goodlett, David R.

    2017-02-01

    We present a simple algorithm for robust and unsupervised peak detection by determining a noise threshold in isotopically resolved mass spectrometry data. Solving this problem will greatly reduce the subjective and time-consuming manual picking of mass spectral peaks and so will prove beneficial in many research applications. The Autopiquer approach uses autocorrelation to test for the presence of (isotopic) structure in overlapping windows across the spectrum. Within each window, a noise threshold is optimized to remove the most unstructured data, whilst keeping as much of the (isotopic) structure as possible. This algorithm has been successfully demonstrated for both peak detection and spectral compression on data from many different classes of mass spectrometer and for different sample types, and this approach should also be extendible to other types of data that contain regularly spaced discrete peaks.

  17. Prospects for cosmic neutrino detection in tritium experiments in the case of hierarchical neutrino masses

    SciTech Connect

    Blennow, Mattias

    2008-06-01

    We discuss the effects of neutrino mixing and the neutrino mass hierarchy when considering the capture of the cosmic neutrino background (CNB) on radioactive nuclei. The implications of mixing and hierarchy at future generations of tritium decay experiments are considered. We find that the CNB should be detectable at these experiments provided that the resolution for the kinetic energy of the outgoing electron can be pushed to a few 0.01 eV for the scenario with inverted neutrino mass hierarchy, about an order of magnitude better than that of the upcoming KATRIN experiment. Another order of magnitude improvement is needed in the case of normal neutrino mass hierarchy. We also note that mixing effects generally make the prospects for CNB detection worse due to an increased maximum energy of the normal beta decay background.

  18. Multidimensional detection of explosives and explosive signatures via laser electrospray mass spectrometry

    NASA Astrophysics Data System (ADS)

    Brady, John J.; Flanigan, Paul M., IV; Perez, Johnny J.; Judge, Elizabeth J.; Levis, Robert J.

    2012-06-01

    Nitro- and inorganic-based energetic material is vaporized at atmospheric pressure using nonresonant, 70 femtosecond laser pulses prior to electrospray post-ionization and transfer into a time-of-flight mass spectrometer for mass analysis. Measurements of a nitro-based energetic molecule, cyclotrimethylenetrinitramine (RDX), adsorbed on metal and dielectric surfaces indicate nonresonant vaporization of intact molecules, demonstrating the universality of laser electrospray mass spectrometry (LEMS) technique for explosives. In addition, RDX is analyzed at a distance of 2 meters to demonstrate the remote detection capability of LEMS. Finally, the analysis and multivariate statistical classification of inorganic-based explosives containing ammonium nitrate, chlorate, perchlorate, black powder, and an organic-based explosive is presented, further expanding the capabilities of the LEMS technique for detection of energetic materials.

  19. Rapid and Accurate Detection of Mycobacterium tuberculosis in Sputum Samples by Cepheid Xpert MTB/RIF Assay—A Clinical Validation Study

    PubMed Central

    Rachow, Andrea; Zumla, Alimuddin; Heinrich, Norbert; Rojas-Ponce, Gabriel; Mtafya, Bariki; Reither, Klaus; Ntinginya, Elias N.; O'Grady, Justin; Huggett, Jim; Dheda, Keertan; Boehme, Catharina; Perkins, Mark; Saathoff, Elmar; Hoelscher, Michael

    2011-01-01

    Background A crucial impediment to global tuberculosis control is the lack of an accurate, rapid diagnostic test for detection of patients with active TB. A new, rapid diagnostic method, (Cepheid) Xpert MTB/RIF Assay, is an automated sample preparation and real-time PCR instrument, which was shown to have good potential as an alternative to current reference standard sputum microscopy and culture. Methods We performed a clinical validation study on diagnostic accuracy of the Xpert MTB/RIF Assay in a TB and HIV endemic setting. Sputum samples from 292 consecutively enrolled adults from Mbeya, Tanzania, with suspected TB were subject to analysis by the Xpert MTB/RIF Assay. The diagnostic performance of Xpert MTB/RIF Assay was compared to standard sputum smear microscopy and culture. Confirmed Mycobacterium tuberculosis in a positive culture was used as a reference standard for TB diagnosis. Results Xpert MTB/RIF Assay achieved 88.4% (95%CI = 78.4% to 94.9%) sensitivity among patients with a positive culture and 99% (95%CI = 94.7% to 100.0%) specificity in patients who had no TB. HIV status did not affect test performance in 172 HIV-infected patients (58.9% of all participants). Seven additional cases (9.1% of 77) were detected by Xpert MTB/RIF Assay among the group of patients with clinical TB who were culture negative. Within 45 sputum samples which grew non-tuberculous mycobacteria the assay's specificity was 97.8% (95%CI = 88.2% to 99.9%). Conclusions The Xpert MTB/RIF Assay is a highly sensitive, specific and rapid method for diagnosing TB which has potential to complement the current reference standard of TB diagnostics and increase its overall sensitivity. Its usefulness in detecting sputum smear and culture negative patients needs further study. Further evaluation in high burden TB and HIV areas under programmatic health care settings to ascertain applicability, cost-effectiveness, robustness and local acceptance are required. PMID:21738575

  20. Computer-aided detection of breast masses on mammograms: bilateral analysis for false positive reduction

    NASA Astrophysics Data System (ADS)

    Wu, Yi-Ta; Hadjiiski, Lubomir M.; Wei, Jun; Zhou, Chuan; Sahiner, Berkman; Chan, Heang-Ping

    2006-03-01

    In this study, our purpose was to develop a false positive (FP) reduction method for computerized mass detection systems based on the analysis of bilateral mammograms. We first detect the mass candidates on each view by utilizing our unilateral computer-aided detection (CAD) system. For each detected object, the regional registration technique is used to define a region of interest (ROI) that is "symmetrical" to the object location on the contralateral mammogram. Spatial gray level dependence matrices (SGLD) texture features and morphological features are extracted from both the ROI containing the detected object on a mammogram and its corresponding ROI on the contralateral mammogram. Bilateral features are then generated from the extracted unilateral features and a final bilateral score is formed as a new feature to differentiate symmetric from asymmetric ROIs. By incorporating the unilateral features of the mass candidates and their bilateral scores, a bilateral classifier was trained to reduce the FPs. It was found that our bilateral CAD system achieved a case-based sensitivity of 70%, 80%, and 85% at 0.52, 0.83, and 1.05 FPs/image on the test data set. In comparison to the FP rates for the unilateral CAD system of 0.67, 1.11, and 1.69, respectively, at the corresponding sensitivities, the FP rates were reduced by 22%, 25%, and 37% with the bilateral symmetry information.

  1. Parallel Detection of Intrinsic Fluorescence from Peptides and Proteins for Quantification During Mass Spectrometric Analysis

    PubMed Central

    Russell, Jason D.; Hilger, Ryan T.; Ladror, Daniel T.; Tervo, Mark A.; Scalf, Mark; Shortreed, Michael R.; Coon, Joshua J.

    2011-01-01

    Direct mass spectrometric quantification of peptides and proteins is compromised by the wide variabilities in ionization efficiency which are hallmarks of both the MALDI and ESI ionization techniques. We describe here the implementation of a fluorescence detection system for measurement of the UV-excited intrinsic fluorescence (UV-IF) from peptides and proteins just prior to their exit and electrospray ionization from an ESI capillary. The fluorescence signal provides a quantifiable measure of the amount of the protein or peptide present, while direct or tandem mass spectrometric analysis (MS/MS) on the ESI-generated ions provides information on identity. We fabricated an inexpensive, modular, fluorescence excitation and detection device utilizing an ultraviolet light-emitting diode for excitation in a ~300 nL fluorescence detection cell integrated into the fused-silica separation column. The fluorescence signal was linear over 3 orders of magnitude with on-column limits of detection in the low femtomole range. Chromatographically separated intact proteins analyzed using UV-IF prior to top-down mass spectrometry demonstrated sensitive detection of proteins as large as 77 kDa. PMID:21314137

  2. Molecular basis of nonclassical steroid 21-hydroxylase deficiency detected by neonatal mass screening in Japan.

    PubMed

    Tajima, T; Fujieda, K; Nakae, J; Toyoura, T; Shimozawa, K; Kusuda, S; Goji, K; Nagashima, T; Cutler, G B

    1997-07-01

    Since 1989, neonatal mass screening for congenital adrenal hyperplasia (CAH) has been performed in Japan, and the frequency of the classical form of 21-hydroxylase deficiency was found to be nearly identical to that in other countries. However, it has not yet been determined whether our mass screening program can detect the nonclassical (NC) form. From 1991 to 1994, about 4,500,000 infants underwent CAH mass screening in Japan. During this period, we identified by screening 2 siblings and 2 unrelated patients who had mild elevation of serum 17-hydroxyprogesterone levels at 5 days of age, but who revealed no symptoms of CAH. They were diagnosed as having probable NC steroid 21-hydroxylase deficiency. To clarify the molecular basis of NC CAH detectable by neonatal screening in Japan, the steroid 21-hydroxylase (CYP21) genes from these cases were analyzed. The 2 siblings (patients 1 and 2) had I172N and R356W mutations in 1 allele and in the other allele had local gene conversion, including the P30L mutation in exon 1. Patient 3, who was unrelated, had gene conversion encoding the same P30L mutation in 1 allele and in the other allele had an intron 2 mutation (668-12 A-->G), causing aberrant ribonucleic acid splicing, and the R356W mutation. Patient 4, also a compound heterozygote, had the R356W and 707del8 mutations. The estimated rate of detection of the NC form by mass screening (1:1,100,000) seemed low compare to the established detection rate for the classical form (1:18,000). As all of our 4 patients were compound heterozygotes with at least 1 allele bearing 1 or more mutations associated with classic CAH, it may be difficult to detect NC cases carrying only NC-associated alleles using our current neonatal mass screening methods.

  3. Detection of chlorobenzene derivatives using vacuum ultraviolet ionization time-of-flight mass spectrometry.

    PubMed

    Tonokura, Kenichi; Nakamura, Tomohisa; Koshi, Mitsuo

    2003-08-01

    Vacuum ultraviolet single-photon ionization time-of-flight mass spectrometry (VUV-SPI-TOFMS) has been applied for the detection of chlorobenzene, o-dichlorobenzene, and o-chlorophenol as surrogates for polychlorinated dibenzo-p-dioxine/furans (PCDD/F). The photoionization mass spectra of these compounds appear to be fragmentation free in the ionization processes by the VUV-SPI at 10.2 eV (121.6 nm). Quantum chemical calculations support no fragmentation in the photoionization of chlorobenzene derivatives at around 10 eV. The absolute photoionization cross-sections of chlorobenzene, o-dichlorobenzene, and o-chlorophenol were estimated at 10.2 eV. The photoionization cross-section is an important parameter in the detection of chlorobenzene derivatives by the single-photon ionization technique. The detection limit for chlorobenzene is on the order of tenth parts-per-billion volume (ppbv) in the present experimental setup.

  4. Trace detection of meglumine and diatrizoate from Bacillus spore samples using liquid chromatography/mass spectrometry.

    PubMed

    Swider, Catherine; Maguire, Kelly; Rickenbach, Michael; Montgomery, Madeline; Ducote, Matthew J; Marhefka, Craig A

    2012-07-01

    Following the September 11, 2001 terrorist attacks, letters containing Bacillus anthracis were distributed through the United States postal system killing five people. A complex forensic investigation commenced to identify the perpetrator of these mailings. A novel liquid chromatography/mass spectrometry protocol for the qualitative detection of trace levels of meglumine and diatrizoate in dried spore preparations of B. anthracis was developed. Meglumine and diatrizoate are components of radiographic imaging products that have been used to purify bacterial spores. Two separate chromatographic assays using multiple mass spectrometric analyses were developed for the detection of meglumine and diatrizoate. The assays achieved limits of detection for meglumine and diatrizoate of 1.00 and 10.0 ng/mL, respectively. Bacillus cereus T strain spores were effectively used as a surrogate for B. anthracis spores during method development and validation. This protocol was successfully applied to limited evidentiary B. anthracis spore material, providing probative information to the investigators.

  5. Detecting Biosignatures Associated with Minerals by Geomatrix-Assisted Laser Desorption/Ionization Fourier Transorm Mass Spectromety (GALDI-FTMS)

    SciTech Connect

    C. Doc Richardson; J. Michelle Kotler; Nancy W. Hinman; Timothy R. McJunkin; Jill R. Scott

    2008-07-01

    The ability to detect carbon signatures that can be linked to complex, possibly biogenic, organic molecules is imperative in research into the origin and distribution of life in our solar system particularly when used in conjunction with inorganic, mineralogical, and isotopic signatures that provide strong evidence for geochemical influences of living organisms on their environment. Ideally, the method used to detect these signatures must (i) accurately and automatically translate the organic and other information into usable forms, (ii) precisely distinguish such information from alternative compositions, (iii) operate with high spatial resolution coupled with precise location abilities, and (iv) require little to no sample preparation because of the potential for contamination. Geomatrix-assisted laser desorption/ionization (GALDI) in conjunction with a Fourier transform mass spectrometer (FTMS) has been used to determine the presence of bio/organic molecules (BOM) associated with different minerals and mineraloids including oxide, sulfate, carbonate, chloride, and silicate minerals. BOM is defined as an organic structure that can be produced by living organisms or derived from another organic compound made by living organisms (i.e., degradation product). GALDI requires no sample preparation because the mineral matrix assists desorption. Ultimately, however, the detectability of BOM is controlled by the desorption efficiency, ionization efficiency, and the specific experimental conditions. Results from experiments with combinations of known BOM and mineral standards indicated that the detectability of BOM increased with decreasing concentration, contrary to most analytical procedures. Results suggest that BOM when combined with certain minerals is more easily detected than when combined with other minerals. Such conclusions can guide selection of appropriate samples for sample return missions.

  6. Mass

    SciTech Connect

    Quigg, Chris

    2007-12-05

    In the classical physics we inherited from Isaac Newton, mass does not arise, it simply is. The mass of a classical object is the sum of the masses of its parts. Albert Einstein showed that the mass of a body is a measure of its energy content, inviting us to consider the origins of mass. The protons we accelerate at Fermilab are prime examples of Einsteinian matter: nearly all of their mass arises from stored energy. Missing mass led to the discovery of the noble gases, and a new form of missing mass leads us to the notion of dark matter. Starting with a brief guided tour of the meanings of mass, the colloquium will explore the multiple origins of mass. We will see how far we have come toward understanding mass, and survey the issues that guide our research today.

  7. Rapid and accurate liquid chromatography and tandem mass spectrometry method for the simultaneous quantification of ten metabolic reactions catalyzed by hepatic cytochrome P450 enzymes.

    PubMed

    Shi, Rong; Ma, Bingliang; Wu, Jiasheng; Wang, Tianming; Ma, Yueming

    2015-10-01

    The hepatic cytochrome P450 enzymes play a central role in the biotransformation of endogenous and exogenous substances. A sensitive high-throughput liquid chromatography with tandem mass spectrometry assay was developed and validated for the simultaneous quantification of the products of ten metabolic reactions catalyzed by hepatic cytochrome P450 enzymes. After the substrates were incubated separately, the samples were pooled and analyzed by liquid chromatography with tandem mass spectrometry using an electrospray ionization source in the positive and negative ion modes. The method exhibited linearity over a broad concentration range, insensitivity to matrix effects, and high accuracy, precision, and stability. The novel method was successfully applied to study the kinetics of phenacetin-O deethylation, coumarin-7 hydroxylation, bupropion hydroxylation, taxol-6 hydroxylation, omeprazole-5 hydroxylation, dextromethorphan-O demethylation, tolbutamide-4 hydroxylation, chlorzoxazone-6 hydroxylation, testosterone-6β hydroxylation, and midazolam-1 hydroxylation in rat liver microsomes.

  8. Mass Spectrometric Detection of Bacterial Protein Toxins and Their Enzymatic Activity

    PubMed Central

    Kalb, Suzanne R.; Boyer, Anne E.; Barr, John R.

    2015-01-01

    Mass spectrometry has recently become a powerful technique for bacterial identification. Mass spectrometry approaches generally rely upon introduction of the bacteria into a matrix-assisted laser-desorption time-of-flight (MALDI-TOF) mass spectrometer with mass spectrometric recognition of proteins specific to that organism that form a reliable fingerprint. With some bacteria, such as Bacillus anthracis and Clostridium botulinum, the health threat posed by these organisms is not the organism itself, but rather the protein toxins produced by the organisms. One such example is botulinum neurotoxin (BoNT), a potent neurotoxin produced by C. botulinum. There are seven known serotypes of BoNT, A–G, and many of the serotypes can be further differentiated into toxin variants, which are up to 99.9% identical in some cases. Mass spectrometric proteomic techniques have been established to differentiate the serotype or toxin variant of BoNT produced by varied strains of C. botulinum. Detection of potent biological toxins requires high analytical sensitivity and mass spectrometry based methods have been developed to determine the enzymatic activity of BoNT and the anthrax lethal toxins produced by B. anthracis. This enzymatic activity, unique for each toxin, is assessed with detection of the toxin-induced cleavage of strategically designed peptide substrates by MALDI-TOF mass spectrometry offering unparalleled specificity. Furthermore, activity assays allow for the assessment of the biological activity of a toxin and its potential health risk. Such methods have become important diagnostics for botulism and anthrax. Here, we review mass spectrometry based methods for the enzymatic activity of BoNT and the anthrax lethal factor toxin. PMID:26404376

  9. Mass Spectrometric Detection of Bacterial Protein Toxins and Their Enzymatic Activity.

    PubMed

    Kalb, Suzanne R; Boyer, Anne E; Barr, John R

    2015-08-31

    Mass spectrometry has recently become a powerful technique for bacterial identification. Mass spectrometry approaches generally rely upon introduction of the bacteria into a matrix-assisted laser-desorption time-of-flight (MALDI-TOF) mass spectrometer with mass spectrometric recognition of proteins specific to that organism that form a reliable fingerprint. With some bacteria, such as Bacillus anthracis and Clostridium botulinum, the health threat posed by these organisms is not the organism itself, but rather the protein toxins produced by the organisms. One such example is botulinum neurotoxin (BoNT), a potent neurotoxin produced by C. botulinum. There are seven known serotypes of BoNT, A-G, and many of the serotypes can be further differentiated into toxin variants, which are up to 99.9% identical in some cases. Mass spectrometric proteomic techniques have been established to differentiate the serotype or toxin variant of BoNT produced by varied strains of C. botulinum. Detection of potent biological toxins requires high analytical sensitivity and mass spectrometry based methods have been developed to determine the enzymatic activity of BoNT and the anthrax lethal toxins produced by B. anthracis. This enzymatic activity, unique for each toxin, is assessed with detection of the toxin-induced cleavage of strategically designed peptide substrates by MALDI-TOF mass spectrometry offering unparalleled specificity. Furthermore, activity assays allow for the assessment of the biological activity of a toxin and its potential health risk. Such methods have become important diagnostics for botulism and anthrax. Here, we review mass spectrometry based methods for the enzymatic activity of BoNT and the anthrax lethal factor toxin.

  10. Accurate prediction of H3O+ and D3O+ sensitivity coefficients to probe a variable proton-to-electron mass ratio

    NASA Astrophysics Data System (ADS)

    Owens, A.; Yurchenko, S. N.; Polyansky, O. L.; Ovsyannikov, R. I.; Thiel, W.; Špirko, V.

    2015-12-01

    The mass sensitivity of the vibration-rotation-inversion transitions of H316O+, H318O+, and D316O+ is investigated variationally using the nuclear motion program TROVE (Yurchenko, Thiel & Jensen). The calculations utilize new high-level ab initio potential energy and dipole moment surfaces. Along with the mass dependence, frequency data and Einstein A coefficients are computed for all transitions probed. Particular attention is paid to the Δ|k| = 3 and Δ|k - l| = 3 transitions comprising the accidentally coinciding |J, K = 0, v2 = 0+> and |J, K = 3, v2 = 0-> rotation-inversion energy levels. The newly computed probes exhibit sensitivities comparable to their ammonia and methanol counterparts, thus demonstrating their potential for testing the cosmological stability of the proton-to-electron mass ratio. The theoretical TROVE results are in close agreement with sensitivities obtained using the non-rigid and rigid inverter approximate models, confirming that the ab initio theory used in the present study is adequate.

  11. Multiplex detection of protein toxins using MALDI-TOF-TOF tandem mass spectrometry: application in unambiguous toxin detection from bioaerosol.

    PubMed

    Alam, Syed Imteyaz; Kumar, Bhoj; Kamboj, Dev Vrat

    2012-12-04

    Protein toxins, such as botulinum neurotoxins (BoNTs), Clostridium perfringens epsilon toxin (ETX), staphylococcal enterotoxin B (SEB), shiga toxin (STX), and plant toxin ricin, are involved in a number of diseases and are considered as potential agents for bioterrorism and warfare. From a bioterrorism and warfare perspective, these agents are likely to cause maximum damage to a civilian or military population through an inhalational route of exposure and aerosol is considered the envisaged mode of delivery. Unambiguous detection of toxin from aerosol is of paramount importance, both for bringing mitigation protocols into operation and for implementation of effective medical countermeasures, in case a "biological cloud" is seen over a population. A multiplex, unambiguous, and qualitative detection of protein toxins is reported here using tandem mass spectrometry with MALDI-TOF-TOF. The methodology involving simple sample processing steps was demonstrated to identify toxins (ETX, Clostridium perfringes phospholipase C, and SEB) from blind spiked samples. The novel directed search approach using a list of unique peptides was used to identify toxins from a complex protein mixture. The bioinformatic analysis of seven protein toxins for elucidation of unique peptides with conservation status across all known sequences provides a high confidence for detecting toxins originating from any geographical location and source organism. Use of tandem MS data with peptide sequence information increases the specificity of the method. A prototype for generation of aerosol using a nebulizer and collection using a cyclone collector was used to provide a proof of concept for unambiguous detection of toxin from aerosol using precursor directed tandem mass spectrometry combined with protein database searching. ETX prototoxin could be detected from aerosol at 0.2 ppb concentration in aerosol.

  12. The Detection of the Methylated Wif-1 Gene Is More Accurate than a Fecal Occult Blood Test for Colorectal Cancer Screening

    PubMed Central

    Baumgaertner, Isabelle; Delchier, Jean-Charles; Tournigand, Christophe; Furet, Jean-Pierre; Carrau, Jean-Pierre; Canoui-Poitrine, Florence; Sobhani, Iradj

    2014-01-01

    Background The clinical benefit of guaiac fecal occult blood tests (FOBT) is now well established for colorectal cancer screening. Growing evidence has demonstrated that epigenetic modifications and fecal microbiota changes, also known as dysbiosis, are associated with CRC pathogenesis and might be used as surrogate markers of CRC. Patients and Methods We performed a cross-sectional study that included all consecutive subjects that were referred (from 2003 to 2007) for screening colonoscopies. Prior to colonoscopy, effluents (fresh stools, sera-S and urine-U) were harvested and FOBTs performed. Methylation levels were measured in stools, S and U for 3 genes (Wif1, ALX-4, and Vimentin) selected from a panel of 63 genes; Kras mutations and seven dominant and subdominant bacterial populations in stools were quantified. Calibration was assessed with the Hosmer-Lemeshow chi-square, and discrimination was determined by calculating the C-statistic (Area Under Curve) and Net Reclassification Improvement index. Results There were 247 individuals (mean age 60.8±12.4 years, 52% of males) in the study group, and 90 (36%) of these individuals were patients with advanced polyps or invasive adenocarcinomas. A multivariate model adjusted for age and FOBT led to a C-statistic of 0.83 [0.77–0.88]. After supplementary sequential (one-by-one) adjustment, Wif-1 methylation (S or U) and fecal microbiota dysbiosis led to increases of the C-statistic to 0.90 [0.84–0.94] (p = 0.02) and 0.81 [0.74–0.86] (p = 0.49), respectively. When adjusted jointly for FOBT and Wif-1 methylation or fecal microbiota dysbiosis, the increase of the C-statistic was even more significant (0.91 and 0.85, p<0.001 and p = 0.10, respectively). Conclusion The detection of methylated Wif-1 in either S or U has a higher performance accuracy compared to guaiac FOBT for advanced colorectal neoplasia screening. Conversely, fecal microbiota dysbiosis detection was not more accurate. Blood and urine

  13. The Value of Ultrasound Monitoring of Adnexal Masses for Early Detection of Ovarian Cancer

    PubMed Central

    Suh-Burgmann, Elizabeth; Kinney, Walter

    2016-01-01

    Although ultrasound has so far been found to be ineffective as a screening tool for ovarian cancer, it is commonly used as a means of evaluating or following ovarian or adnexal masses once they are detected. We review the use of serial ultrasound for the management of adnexal masses and propose an approach to monitoring based on an understanding of the overall risk of cancer among the population in question and an assessment of how the potential benefit of monitoring compares with potential risk. In our approach, masses that are symptomatic, large (>10 cm), associated with an elevated CA 125 level or overt signs of malignancy, or that are determined to have a worrisome appearance by stringent ultrasound criteria should be evaluated surgically. Women with masses that have none of these characteristics should be offered monitoring. Short-term initial ultrasound monitoring carries significant potential benefit in terms of aiding detection of early malignancy and avoidance of unnecessary surgery. However, if a mass remains stable but persistent, the potential benefit of ongoing monitoring wanes with time, whereas the potential harms, in terms of patient anxiety, cost, and the risk of incidental findings and unnecessary surgery increase. Therefore, monitoring of stable lesions should be limited in duration in order to limit potential harms from overtreatment and overdiagnosis. PMID:26904503

  14. High-resolution mass spectrometry method for the detection, characterization and quantitation of pharmaceuticals in water.

    PubMed

    Pinhancos, Rebeca; Maass, Sara; Ramanathan, Dil M

    2011-11-01

    The presence of pharmaceuticals in drinking water is an emerging environmental concern. In most environmental testing laboratories, LC-MS/MS assays based on selected reaction monitoring are used as part of a battery of tests used to assure water quality. Although LC-MS/MS continues to be the best tool for detecting pharmaceuticals in water, the combined use of hybrid high-resolution mass spectrometry (HRMS) and ultrahigh pressure liquid chromatography (UHPLC) is starting to become a practical tool to study emerging environmental contaminants. The hybrid LTQ-orbitrap mass spectrometer is suitable for integrated quantitative and qualitative bioanalysis because of the following reasons: (1) the ability to collect full-scan HRMS spectra with scan speeds suitable for UHPLC separations, (2) routine measurement of mass with less than 5 ppm mass accuracy, (3) high mass resolving power, and (4) ability to perform on-the-fly polarity switching in the linear ion trap (LTQ). In the present work, we provide data demonstrating the application of UHPLC-LTQ-orbitrap for the detection, characterization and quantification of pharmaceuticals and their metabolites in drinking water.

  15. Closing in on mass-degenerate dark matter scenarios with antiprotons and direct detection

    SciTech Connect

    Garny, Mathias; Ibarra, Alejandro; Pato, Miguel; Vogl, Stefan E-mail: ibarra@tum.de E-mail: stefan.vogl@tum.de

    2012-11-01

    Over the last years both cosmic-ray antiproton measurements and direct dark matter searches have proved particularly effective in constraining the nature of dark matter candidates. The present work focusses on these two types of constraints in a minimal framework which features a Majorana fermion as the dark matter particle and a scalar that mediates the coupling to quarks. Considering a wide range of coupling schemes, we derive antiproton and direct detection constraints using the latest data and paying close attention to astrophysical and nuclear uncertainties. Both signals are strongly enhanced in the presence of degenerate dark matter and scalar masses, but we show that the effect is especially dramatic in direct detection. Accordingly, the latest direct detection limits take the lead over antiprotons. We find that antiproton and direct detection data set stringent lower limits on the mass splitting, reaching 19% at a 300 GeV dark matter mass for a unity coupling. Interestingly, these limits are orthogonal to ongoing collider searches at the Large Hadron Collider, making it feasible to close in on degenerate dark matter scenarios within the next years.

  16. Galaxy And Mass Assembly (GAMA): detection of low-surface-brightness galaxies from SDSS data

    NASA Astrophysics Data System (ADS)

    Williams, Richard P.; Baldry, I. K.; Kelvin, L. S.; James, P. A.; Driver, S. P.; Prescott, M.; Brough, S.; Brown, M. J. I.; Davies, L. J. M.; Holwerda, B. W.; Liske, J.; Norberg, P.; Moffett, A. J.; Wright, A. H.

    2016-12-01

    We report on a search for new low-surface-brightness galaxies (LSBGs) using Sloan Digital Sky Survey (SDSS) data within the Galaxy And Mass Assembly (GAMA) equatorial fields. The search method consisted of masking objects detected with SDSS PHOTO, combining gri images weighted to maximize the expected signal-to-noise ratio, and smoothing the images. The processed images were then run through a detection algorithm that finds all pixels above a set threshold and groups them based on their proximity to one another. The list of detections was cleaned of contaminants such as diffraction spikes and the faint wings of masked objects. From these, selecting potentially the brightest in terms of total flux, a list of 343 LSBGs was produced having been confirmed using VISTA Kilo-degree Infrared Galaxy Survey (VIKING) imaging. The photometry of this sample was refined using the deeper VIKING Z band as the aperture-defining band. Measuring their g - i and J - K colours shows that most are consistent with being at redshifts less than 0.2. The photometry is carried out using an AUTO aperture for each detection giving surface brightnesses of μr ≳ 25 mag arcsec-2 and magnitudes of r > 19.8 mag. None of these galaxies are bright enough to be within the GAMA main survey limit but could be part of future deeper surveys to measure the low-mass end of the galaxy stellar mass function.

  17. Detection and quantification of proteins in clinical samples using high resolution mass spectrometry.

    PubMed

    Gallien, Sebastien; Domon, Bruno

    2015-06-15

    Quantitative proteomics has benefited from the recent development of mass spectrometers capable of high-resolution and accurate-mass (HR/AM) measurements. While targeted experiments are routinely performed on triple quadrupole instruments in selected reaction monitoring (SRM; often referred as multiple reaction monitoring, MRM) mode, the quadrupole-orbitrap mass spectrometers allow quantification in MS/MS mode, also known as parallel reaction monitoring (PRM). This technique is characterized by higher selectivity and better confidence in the assignment of the precursor and fragment ions, and thus translates into an improved analytical performance. More fundamentally, PRM introduces a change of the overall paradigm of targeted experiments, by the decoupling of the acquisition and data processing. They rely on two distinct steps, with a simplified acquisition method in conjunction with a flexible, iterative, post-acquisition data processing. This account describes in detail the different steps of a PRM experiment, which include the design of the acquisition method, the confirmation of the identity of the analytes founded upon a full MS/MS fragmentation pattern, and the quantification based on the extraction of specific fragment ions (selected post-acquisition) using tight mass tolerance. The different types of PRM experiments, defined as large-scale screening or precise targeted quantification using calibrated internal standards, together with the considerations on the selection of experimental parameters are discussed.

  18. Computer-aided detection of breast masses: Four-view strategy for screening mammography

    SciTech Connect

    Wei Jun; Chan Heangping; Zhou Chuan; Wu Yita; Sahiner, Berkman; Hadjiiski, Lubomir M.; Roubidoux, Marilyn A.; Helvie, Mark A.

    2011-04-15

    Purpose: To improve the performance of a computer-aided detection (CAD) system for mass detection by using four-view information in screening mammography. Methods: The authors developed a four-view CAD system that emulates radiologists' reading by using the craniocaudal and mediolateral oblique views of the ipsilateral breast to reduce false positives (FPs) and the corresponding views of the contralateral breast to detect asymmetry. The CAD system consists of four major components: (1) Initial detection of breast masses on individual views, (2) information fusion of the ipsilateral views of the breast (referred to as two-view analysis), (3) information fusion of the corresponding views of the contralateral breast (referred to as bilateral analysis), and (4) fusion of the four-view information with a decision tree. The authors collected two data sets for training and testing of the CAD system: A mass set containing 389 patients with 389 biopsy-proven masses and a normal set containing 200 normal subjects. All cases had four-view mammograms. The true locations of the masses on the mammograms were identified by an experienced MQSA radiologist. The authors randomly divided the mass set into two independent sets for cross validation training and testing. The overall test performance was assessed by averaging the free response receiver operating characteristic (FROC) curves of the two test subsets. The FP rates during the FROC analysis were estimated by using the normal set only. The jackknife free-response ROC (JAFROC) method was used to estimate the statistical significance of the difference between the test FROC curves obtained with the single-view and the four-view CAD systems. Results: Using the single-view CAD system, the breast-based test sensitivities were 58% and 77% at the FP rates of 0.5 and 1.0 per image, respectively. With the four-view CAD system, the breast-based test sensitivities were improved to 76% and 87% at the corresponding FP rates, respectively

  19. Coupling liquid chromatography/mass spectrometry detection with microfluidic droplet array for label-free enzyme inhibition assay.

    PubMed

    Wang, Xiu-Li; Zhu, Ying; Fang, Qun

    2014-01-07

    In this work, the combination of droplet-based microfluidics with liquid chromatography/mass spectrometry (LC/MS) was achieved, for providing a fast separation and high-information-content detection method for the analysis of nanoliter-scale droplets with complex compositions. A novel interface method was developed using an oil-covered droplet array chip to couple with an LC/MS system via a capillary sampling probe and a 4 nL injection valve without the need of a droplet extraction device. The present system can perform multistep operations including parallel enzyme inhibition reactions in nanoliter droplets, 4 nL sample injection, fast separation with capillary LC, and label-free detection with ESI-MS, and has significant flexibility in the accurate addressing and sampling of droplets of interest on demand. The system performance was evaluated using angiotensin I and angiotensin II as model samples, and the repeatabilities of peak area for angiotensin I and angiotensin II were 2.7% and 7.5% (RSD, n = 4), respectively. The present system was further applied to the screening for inhibitors of cytochrome P450 (CYP1A2) and measurement of the IC50 value of the inhibitor. The sample consumption for each droplet assay was 100 nL, which is reduced 10-100 times compared with conventional 384-multi-well plate systems usually used in high-throughput drug screening.

  20. Simultaneous determination of 13 carbohydrates using high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry.

    PubMed

    Zhao, Dan; Feng, Feng; Yuan, Fei; Su, Jin; Cheng, Yan; Wu, Hanqiu; Song, Kun; Nie, Bo; Yu, Lian; Zhang, Feng

    2017-02-28

    A simple, accurate, and highly sensitive method was developed for the determination of 13 carbohydrates in polysaccharide of spirulina platensis based on high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry. Samples were extracted with deionized water using ultrasonic-assisted extraction, and the ultrasound-assisted extraction conditions were optimized by Box-Behnken design. Then the extracted polysaccharide was hydrolyzed by adding 1 mol/L trifluoroacetic acid before determination by high-performance anion-exchange chromatography coupled with pulsed amperometric detection and confirmed by high-performance anion-exchange chromatography coupled with mass spectrometry. The high-performance anion-exchange chromatography coupled with pulsed amperometric detection method was performed on a CarboPac PA20 column by gradient elution using deionized water, 0.1 mol/L sodium hydroxide solution and 0.4 mol/L sodium acetate solution. Excellent linearity was observed in the range of 0.05-10 mg/L. The average recoveries ranged from 80.7 to 121.7%. The limits of detection and limits of quantification for 13 carbohydrates were 0.02-0.10 and 0.2-1.2  μg/kg, respectively. The developed method has been successfully applied to ambient samples, and the results indicated that high-performance anion-exchange chromatography coupled with pulsed amperometric detection and mass spectrometry could provide a rapid and accurate method for the simultaneous determination of carbohydrates.

  1. Automated Detection of Coronal Mass Ejections in STEREO Heliospheric Imager Data

    NASA Astrophysics Data System (ADS)

    Pant, V.; Willems, S.; Rodriguez, L.; Mierla, M.; Banerjee, D.; Davies, J. A.

    2016-12-01

    We have performed, for the first time, the successful automated detection of coronal mass ejections (CMEs) in data from the inner heliospheric imager (HI-1) cameras on the STEREO-A spacecraft. Detection of CMEs is done in time-height maps based on the application of the Hough transform, using a modified version of the CACTus software package, conventionally applied to coronagraph data. In this paper, we describe the method of detection. We present the results of the application of the technique to a few CMEs, which are well detected in the HI-1 imagery, and compare these results with those based on manual-cataloging methodologies. We discuss, in detail, the advantages and disadvantages of this method.

  2. High explosives vapor detection by atmospheric sampling glow discharge ionization/tandem mass spectrometry

    SciTech Connect

    McLuckey, S.A.; Goeringer, D.E.; Asano, K.G.

    1996-02-01

    The combination of atmospheric sampling glow discharge ionization with tandem mass spectrometry for the detection of traces of high explosives is described. Particular emphasis is placed on use of the quadrupole ion trap as the type of tandem mass spectrometer. Atmospheric sampling glow discharge provides a simple, rugged, and efficient means for anion formation while the quadrupole ion trap provides for efficient tandem mass spectrometry. Mass selective ion accumulation and non-specific ion activation methods can be used to overcome deleterious effects arising from ion/ion interactions. Such interactions constitute the major potential technical barrier to the use of the ion trap for real-time monitoring of targeted compounds in uncontrolled and highly variable matrices. Tailored waveforms can be used to effect both mass selective ion accumulation and ion activation. Concatenated tailored waveforms allow for both functions in a single experiment thereby providing the capability for monitoring several targeted species simultaneously. The combination of atmospheric sampling glow discharge ionization with a state-of-the-art analytical quadrupole ion trap is a highly sensitive and specific detector for traces of high explosives. The combination is also small and inexpensive relative to virtually any other form of tandem mass spectrometry. The science and technology underlying the glow discharge/ion trap combination is sufficiently mature to form the basis for an engineering effort to make the detector portable. 85 refs.

  3. Detection of biological particles in ambient air using Bio-Aerosol Mass Spectrometry

    SciTech Connect

    McJimpsey, E L; Steele, P T; Coffee, K R; Fergenson, D P; Riot, V J; Woods, B W; Gard, E E; Frank, M; Tobias, H J; Lebrilla, C

    2006-03-16

    The Bio-Aerosol Mass Spectrometry (BAMS) system is an instrument used for the real time detection and identification of biological aerosols. Particles are drawn from the atmosphere directly into vacuum and tracked as they scatter light from several continuous wave lasers. After tracking, the fluorescence of individual particles is excited by a pulsed 266nm or 355nm laser. Molecules from those particles with appropriate fluorescence properties are subsequently desorbed and ionized using a pulsed 266nm laser. Resulting ions are analyzed in a dual polarity mass spectrometer. During two field deployments at the San Francisco International Airport, millions of ambient particles were analyzed and a small but significant fraction were found to have fluorescent properties similar to Bacillus spores and vegetative cells. Further separation of non-biological background particles from potential biological particles was accomplished using laser desorption/ionization mass spectrometry. This has been shown to enable some level of species differentiation in specific cases, but the creation and observation of higher mass ions is needed to enable a higher level of specificity across more species. A soft ionization technique, matrix-assisted laser desorption/ionization (MALDI) is being investigated for this purpose. MALDI is particularly well suited for mass analysis of biomolecules since it allows for the generation of molecular ions from large mass compounds that would fragment under normal irradiation. Some of the initial results from a modified BAMS system utilizing this technique are described.

  4. Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining.

    PubMed

    Shui, Wenqing; Lin, Song; Zhang, Allen; Chen, Yan; Huang, Yingying; Sanders, Mark

    2011-08-01

    Improving analytical throughput is the focus of many quantitative workflows being developed for early drug discovery. For drug candidate screening, it is common practice to use ultra-high performance liquid chromatography (U-HPLC) coupled with triple quadrupole mass spectrometry. This approach certainly results in short analytical run time; however, in assessing the true throughput, all aspects of the workflow needs to be considered, including instrument optimization and the necessity to re-run samples when information is missed. Here we describe a high-throughput metabolic stability assay with a simplified instrument set-up which significantly improves the overall assay efficiency. In addition, as the data is acquired in a non-biased manner, high information content of both the parent compound and metabolites is gathered at the same time to facilitate the decision of which compounds to proceed through the drug discovery pipeline.

  5. Accurate determination of ¹²⁹I concentrations and ¹²⁹I/¹³⁷Cs ratios in spent nuclear resins by Accelerator Mass Spectrometry.

    PubMed

    Nottoli, Emmanuelle; Bienvenu, Philippe; Labet, Alexandre; Bourlès, Didier; Arnold, Maurice; Bertaux, Maité

    2014-04-01

    Determining long-lived radionuclide concentrations in radioactive waste has fundamental implications for the long-term management of storage sites. This paper focuses on the measurement of low (129)I contents in ion exchange resins used for primary fluid purification in Pressurised Water Reactors (PWR). Iodine-129 concentrations were successfully determined using Accelerator Mass Spectrometry (AMS) following a chemical procedure which included (1) acid digestion of resin samples in HNO3/HClO4, (2) radioactive decontamination by selective iodine extraction using a new chromatographic resin (CL Resin), and (3) AgI precipitation. Measured (129)I concentrations ranged from 4 to 12 ng/g, i.e. from 0.03 to 0.08 Bq/g. The calculation of (129)I/(137)Cs activity ratios used for routine waste management produced values in agreement with the few available data for PWR resin samples.

  6. Determination of phthalate esters in cosmetics by gas chromatography with flame ionization detection and mass spectrometric detection.

    PubMed

    Chen, Huiming; Wang, Chao; Wang, Xing; Hao, Nan; Liu, Juan

    2005-08-01

    A gas chromatography coupled with flame ionization detection (GC-FID) and mass spectrometric detection (MSD) method was developed to determine the six kinds of phthalate esters [dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate (DBP), benzyl butyl phthalate (BBP), di(2-ethylhexyl) phthalate (DEHP) and di-n-octyl phthalate (DOP)] in cosmetics (solid, cream and liquid cosmetics). The cosmetics were extracted with methanol by ultrasonic and then separated with high-speed centrifugation. The upper clear layer was dried and filtered through a 0.45 mum pore diameter filter. The filtrate was injected into GC-FID/GC-MS for detection. GC-FID chromatogram was applied for qualitative analysis, external standard method was used for quantitative analysis. Confirmation of phthalate presence was undertaken by GC-EI-MS. The recovery range of all phthalates were between 92.0 and 110.0% with relative standard deviations between 1.95 and 5.92%. The low detection limits of the method were: 0.1 ng for DMP, DEP, DBP and BBP, 0.5 ng for DEHP and DOP. The method had advantages of high precision and sensitivity, simplicity of pretreatment. The method can be used to test the six kinds of phthalate esters in cosmetics.

  7. Integrated Microfluidic Aptasensor for Mass Spectrometric Detection of Vasopressin in Human Plasma Ultrafiltrate.

    PubMed

    Yang, J; Zhu, J; Pei, R; Oliver, J A; Landry, D W; Stojanovic, M N; Lin, Q

    2016-07-14

    We present a microfluidic aptamer-based biosensor for detection of low-molecular-weight biomarkers in patient samples. Using a microfluidic device that integrates aptamer-based specific analyte extraction, isocratic elution, and detection by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry, we demonstrate rapid, sensitive and label-free detection of arginine vasopressin (AVP) in human plasma ultrafiltrate. AVP molecules in complex matrices are specifically captured by an aptamer that is immobilized on microbeads via affinity binding in a microchamber. After the removal of unbound, contaminating molecules through washing, aptamer-AVP complexes are thermally disrupted via on-chip temperature control. Released AVP molecules are eluted with purified water and transferred to a separate microchamber, and deposited onto a single spot on a MALDI plate via repeated, piezoelectrically actuated ejection, which enriches AVP molecules over the spot area. This integrated on-chip sample processing enables the quantitative detection of low-abundance AVP by MALDI-TOF mass spectrometry in a rapid and label-free manner. Our experimental results show the detection of AVP in human plasma ultrafiltrate as low as physiologically relevant picomolar concentrations via aptamer-based selective preconcentration, demonstrating the potential of our approach as a rapid (~ 1hr), sensitive clinical AVP assay.

  8. On the autonomous detection of coronal mass ejections in heliospheric imager data

    NASA Astrophysics Data System (ADS)

    Tappin, S. J.; Howard, T. A.; Hampson, M. M.; Thompson, R. N.; Burns, C. E.

    2012-05-01

    We report on the development of an Automatic Coronal Mass Ejection (CME) Detection tool (AICMED) for the Solar Mass Ejection Imager (SMEI). CMEs observed with heliospheric imagers are much more difficult to detect than those observed by coronagraphs as they have a lower contrast compared with the background light, have a larger range of intensity variation and are easily confused with other transient activity. CMEs appear in SMEI images as very faint often-fragmented arcs amongst a much brighter and often variable background. AICMED operates along the same lines as Computer Aided CME Tracking (CACTus), using the Hough Transform on elongation-time J-maps to extract straight lines from the data set. We compare AICMED results with manually measured CMEs on almost three years of data from early in SMEI operations. AICMED identified 83 verifiable events. Of these 46 could be matched with manually identified events, the majority of the non-detections can be explained. The remaining 37 AICMED events were newly discovered CMEs. The proportion of false identification was high, at 71% of the autonomously detected events. We find that AICMED is very effective as a region of interest highlighter, and is a promising first step in autonomous heliospheric imager CME detection, but the SMEI data are too noisy for the tool to be completely automated.

  9. Desalting by crystallization: detection of attomole biomolecules in picoliter buffers by mass spectrometry.

    PubMed

    Gong, Xiaoyun; Xiong, Xingchuang; Wang, Song; Li, Yanyan; Zhang, Sichun; Fang, Xiang; Zhang, Xinrong

    2015-10-06

    Sensitive detection of biomolecules in small-volume samples by mass spectrometry is, in many cases, challenging because of the use of buffers to maintain the biological activities of proteins and cells. Here, we report a highly effective desalting method for picoliter samples. It was based on the spontaneous separation of biomolecules from salts during crystallization of the salts. After desalting, the biomolecules were deposited in the tip of the quartz pipet because of the evaporation of the solvent. Subsequent detection of the separated biomolecules was achieved using solvent assisted electric field induced desorption/ionization (SAEFIDI) coupled with mass spectrometry. It allowed for direct desorption/ionization of the biomolecules in situ from the tip of the pipet. The organic component in the assistant solvent inhibited the desorption/ionization of salts, thus assured successful detection of biomolecules. Proteins and peptides down to 50 amol were successfully detected using our method even if there were 3 × 10(5) folds more amount of salts in the sample. The concentration and ion species of the salts had little influence on the detection results.

  10. Combining two mammographic projections in a computer aided mass detection method.

    PubMed

    van Engeland, Saskia; Karssemeijer, Nico

    2007-03-01

    A method is presented to improve computer aided detection (CAD) results for masses in mammograms by fusing information obtained from two views of the same breast. It is based on a previously developed approach to link potentially suspicious regions in mediolateral oblique (MLO) and craniocaudal (CC) views. Using correspondence between regions, we extended our CAD scheme by building a cascaded multiple-classifier system, in which the last stage computes suspiciousness of an initially detected region conditional on the existence and similarity of a linked candidate region in the other view. We compared the two-view detection system with the single-view detection method using free-response receiver operating characteristic (FROC) analysis and cross validation. The dataset used in the evaluation consisted of 948 four-view mammograms, including 412 cancer cases with a mass, architectural distortion, or asymmetry. A statistically significant improvement was found in the lesion based detection performance. At a false positive (FP) rate of 0.1 FP/image, the lesion sensitivity improved from 56% to 61%. Case based sensitivity did not improve.

  11. Combining two mammographic projections in a computer aided mass detection method

    SciTech Connect

    Engeland, Saskia van; Karssemeijer, Nico

    2007-03-15

    A method is presented to improve computer aided detection (CAD) results for masses in mammograms by fusing information obtained from two views of the same breast. It is based on a previously developed approach to link potentially suspicious regions in mediolateral oblique (MLO) and craniocaudal (CC) views. Using correspondence between regions, we extended our CAD scheme by building a cascaded multiple-classifier system, in which the last stage computes suspiciousness of an initially detected region conditional on the existence and similarity of a linked candidate region in the other view. We compared the two-view detection system with the single-view detection method using free-response receiver operating characteristic (FROC) analysis and cross validation. The dataset used in the evaluation consisted of 948 four-view mammograms, including 412 cancer cases with a mass, architectural distortion, or asymmetry. A statistically significant improvement was found in the lesion based detection performance. At a false positive (FP) rate of 0.1 FP/image, the lesion sensitivity improved from 56% to 61%. Case based sensitivity did not improve.

  12. Improved candidate biomarker detection based on mass spectrometry data using the Hilbert-Huang transform.

    PubMed

    Wu, Li-Ching; Hsieh, Ping-Heng; Horng, Jorng-Tzong; Jou, Yu-Jen; Lin, Chia-Der; Cheng, Kuang-Fu; Lin, Cheng-Wen; Chen, Shih-Yin

    2012-01-01

    Mass spectrometry biomarker discovery may assist patient's diagnosis in time and realize the characteristics of new diseases. Our previous work built a preprocess method called HHTmass which is capable of removing noise, but HHTmass only a proof of principle to be peak detectable and did not tested for peak reappearance rate and used on medical data. We developed a modified version of biomarker discovery method called Enhance HHTMass (E-HHTMass) for MALDI-TOF and SELDI-TOF mass spectrometry data which improved old HHTMass method by removing the interpolation and the biomarker discovery process. E-HHTMass integrates the preprocessing and classification functions to identify significant peaks. The results show that most known biomarker can be found and high peak appearance rate achieved comparing to MSCAP and old HHTMass2. E-HHTMass is able to adapt to spectra with a small increasing interval. In addition, new peaks are detected which can be potential biomarker after further validation.

  13. Surveillance for early detection of disease outbreaks at an outdoor mass gathering--Virginia, 2005.

    PubMed

    2006-01-27

    Implementing public health surveillance at mass gatherings might help detect outbreaks or possible acts of biologic terrorism and enable prompt public health intervention. In July 2005, a daily syndromic sentinel surveillance system was implemented to monitor disease and injury among approximately 43,000 youths and adults attending a 10-day camping event held every 4 years by a national youth organization. Camp activities began on July 25, 2005, and included events such as mountain boarding, rappelling, and whittling. This report describes public health surveillance and response activities during the 10-day event and presents recommendations for health surveillance at large outdoor events. Public health surveillance should be implemented at mass gatherings to facilitate rapid detection of outbreaks and other health-related events and enable public health teams to respond with timely control measures.

  14. Identification of volatiles by headspace gas chromatography with simultaneous flame ionization and mass spectrometric detection.

    PubMed

    Tiscione, Nicholas B; Yeatman, Dustin Tate; Shan, Xiaoqin; Kahl, Joseph H

    2013-10-01

    Volatiles are frequently abused as inhalants. The methods used for identification are generally nonspecific if analyzed concurrently with ethanol or require an additional analytical procedure that employs mass spectrometry. A previously published technique utilizing a capillary flow technology splitter to simultaneously quantitate and confirm ethyl alcohol by flame ionization and mass spectrometric detection after headspace sampling and gas chromatographic separation was evaluated for the detection of inhalants. Methanol, isopropanol, acetone, acetaldehyde, toluene, methyl ethyl ketone, isoamyl alcohol, isobutyl alcohol, n-butyl alcohol, 1,1-difluoroethane, 1,1,1-trifluoroethane, 1,1,1,2-tetrafluoroethane (Norflurane, HFC-134a), chloroethane, trichlorofluoromethane (Freon®-11), dichlorodifluoromethane (Freon®-12), dichlorofluoromethane (Freon®-21), chlorodifluoromethane (Freon®-22) and 1,2-dichlorotetrafluoroethane (Freon®-114) were validated for qualitative identification by this method. The validation for qualitative identification included evaluation of matrix effects, sensitivity, carryover, specificity, repeatability and ruggedness/robustness.

  15. Development of a nucleotide sugar purification method using a mixed mode column & mass spectrometry detection.

    PubMed

    Eastwood, Heather; Xia, Fang; Lo, Mei-Chu; Zhou, Jing; Jordan, John B; McCarter, John; Barnhart, Wesley W; Gahm, Kyung-Hyun

    2015-11-10

    Analysis of nucleotide sugars, nucleoside di- and triphosphates and sugar-phosphates is an essential step in the process of understanding enzymatic pathways. A facile and rapid separation method was developed to analyze these compounds present in an enzymatic reaction mixture utilized to produce nucleotide sugars. The Primesep SB column explored in this study utilizes hydrophobic interactions as well as electrostatic interactions with the phosphoric portion of the nucleotide sugars. Ammonium formate buffer was selected due to its compatibility with mass spectrometry. Negative ion mode mass spectrometry was adopted for detection of the sugar phosphate (fucose-1-phophate), as the compound is not amenable to UV detection. Various mobile phase conditions such as pH, buffer concentration and organic modifier were explored. The semi-preparative separation method was developed to prepare 30mg of the nucleotide sugar. (19)F NMR was utilized to determine purity of the purified fluorinated nucleotide sugar. The collected nucleotide sugar was found to be 99% pure.

  16. MINERVA: A Dedicated Observatory for Detection of Nearby Low-Mass Exoplanets

    NASA Astrophysics Data System (ADS)

    McCrady, Nate; Johnson, John; Wright, Jason; Wittenmyer, Robert A.; Blake, Cullen; Swift, Jonathan; Eastman, Jason D.; Plavchan, Peter; Riddle, Reed L.; Muirhead, Philip Steven; Bottom, Michael; Zhao, Ming; Beatty, Thomas G.

    2015-01-01

    Detection of low-mass planets around GKM stars requires sub-meter-per-second radial velocity precision. Stellar noise sources (starspots, oscillations, and granulation) necessitate high cadence observations. MINERVA is a dedicated observatory for velocimetric detection of low mass exoplanets orbiting nearby stars. Our array of four robotic 0.7-meter PlaneWave telescopes feeds a purpose-built, temperature-stabilized, iodine cell spectrometer from Callaghan Innovation. We will monitor bright, sun-like stars within 100 pc every clear night from Whipple Observatory on Mt Hopkins, Arizona. Each telescope is also equipped with an Andor CCD for followup photometry and education use. Commissioning is underway on the site and science observations will begin in early 2015.

  17. Mass Spectrometric Detection of Botulinum Neurotoxin by Measuring its Activity in Serum and Milk

    NASA Astrophysics Data System (ADS)

    Kalb, Suzanne R.; Pirkle, James L.; Barr, John R.

    Botulinum neurotoxins (BoNTs) are bacterial protein toxins which are considered likely agents for bioterrorism due to their extreme toxicity and high availability. A new mass spectrometry based assay called Endopep MS detects and defines the toxin serotype in clinical and food matrices via toxin activity upon a peptide substrate which mimics the toxin's natural target. Furthermore, the subtype of the toxin is differentiated by employing mass spectrometry based proteomic techniques on the same sample. The Endopep-MS assay selectively detects active BoNT and defines the serotype faster and with sensitivity greater than the mouse bioassay. One 96-well plate can be analyzed in under 7 h. On higher level or "hot" samples, the subtype can then be differentiated in less than 2 h with no need for DNA.

  18. Bilateral analysis based false positive reduction for computer-aided mass detection

    SciTech Connect

    Wu Yita; Wei Jun; Hadjiiski, Lubomir M.; Sahiner, Berkman; Zhou Chuan; Ge Jun; Shi Jiazheng; Zhang Yiheng; Chan Heangping

    2007-08-15

    We have developed a false positive (FP) reduction method based on analysis of bilateral mammograms for computerized mass detection systems. The mass candidates on each view were first detected by our unilateral computer-aided detection (CAD) system. For each detected object, a regional registration technique was used to define a region of interest (ROI) that is ''symmetrical'' to the object location on the contralateral mammogram. Texture features derived from the spatial gray level dependence matrices and morphological features were extracted from the ROI containing the detected object on a mammogram and its corresponding ROI on the contralateral mammogram. Bilateral features were then generated from corresponding pairs of unilateral features for each object. Two linear discriminant analysis (LDA) classifiers were trained from the unilateral and the bilateral feature spaces, respectively. Finally, the scores from the unilateral LDA classifier and the bilateral LDA asymmetry classifier were fused with a third LDA whose output score was used to distinguish true mass from FPs. A data set of 341 cases of bilateral two-view mammograms was used in this study, of which 276 cases with 552 bilateral pairs contained 110 malignant and 166 benign biopsy-proven masses and 65 cases with 130 bilateral pairs were normal. The mass data set was divided into two subsets for twofold cross-validation training and testing. The normal data set was used for estimation of FP rates. It was found that our bilateral CAD system achieved a case-based sensitivity of 70%, 80%, and 85% at average FP rates of 0.35, 0.75, and 0.95 FPs/image, respectively, on the test data sets with malignant masses. In comparison to the average FP rates for the unilateral CAD system of 0.58, 1.33, and 1.63, respectively, at the corresponding sensitivities, the FP rates were reduced by 40%, 44%, and 42% with the bilateral symmetry information. The improvement was statistically significance (p<0.05) as estimated by

  19. Bilateral analysis based false positive reduction for computer-aided mass detection.

    PubMed

    Wu, Yi-Ta; Wei, Jun; Hadjiiski, Lubomir M; Sahiner, Berkman; Zhou, Chuan; Ge, Jun; Shi, Jiazheng; Zhang, Yiheng; Chan, Heang-Ping

    2007-08-01

    We have developed a false positive (FP) reduction method based on analysis of bilateral mammograms for computerized mass detection systems. The mass candidates on each view were first detected by our unilateral computer-aided detection (CAD) system. For each detected object, a regional registration technique was used to define a region of interest (ROI) that is "symmetrical" to the object location on the contralateral mammogram. Texture features derived from the spatial gray level dependence matrices and morphological features were extracted from the ROI containing the detected object on a mammogram and its corresponding ROI on the contralateral mammogram. Bilateral features were then generated from corresponding pairs of unilateral features for each object. Two linear discriminant analysis (LDA) classifiers were trained from the unilateral and the bilateral feature spaces, respectively. Finally, the scores from the unilateral LDA classifier and the bilateral LDA asymmetry classifier were fused with a third LDA whose output score was used to distinguish true mass from FPs. A data set of 341 cases of bilateral two-view mammograms was used in this study, of which 276 cases with 552 bilateral pairs contained 110 malignant and 166 benign biopsy-proven masses and 65 cases with 130 bilateral pairs were normal. The mass data set was divided into two subsets for twofold cross-validation training and testing. The normal data set was used for estimation of FP rates. It was found that our bilateral CAD system achieved a case-based sensitivity of 70%, 80%, and 85% at average FP rates of 0.35, 0.75, and 0.95 FPs/image, respectively, on the test data sets with malignant masses. In comparison to the average FP rates for the unilateral CAD system of 0.58, 1.33, and 1.63, respectively, at the corresponding sensitivities, the FP rates were reduced by 40%, 44%, and 42% with the bilateral symmetry information. The improvement was statistically significance (p < 0.05) as estimated by

  20. Gravitational detection of a low-mass dark satellite galaxy at cosmological distance.

    PubMed

    Vegetti, S; Lagattuta, D J; McKean, J P; Auger, M W; Fassnacht, C D; Koopmans, L V E

    2012-01-18

    The mass function of dwarf satellite galaxies that are observed around Local Group galaxies differs substantially from simulations based on cold dark matter: the simulations predict many more dwarf galaxies than are seen. The Local Group, however, may be anomalous in this regard. A massive dark satellite in an early-type lens galaxy at a redshift of 0.222 was recently found using a method based on gravitational lensing, suggesting that the mass fraction contained in substructure could be higher than is predicted from simulations. The lack of very low-mass detections, however, prohibited any constraint on their mass function. Here we report the presence of a (1.9 ± 0.1) × 10(8) M dark satellite galaxy in the Einstein ring system JVAS B1938+666 (ref. 11) at a redshift of 0.881, where M denotes the solar mass. This satellite galaxy has a mass similar to that of the Sagittarius galaxy, which is a satellite of the Milky Way. We determine the logarithmic slope of the mass function for substructure beyond the local Universe to be 1.1(+0.6)(-0.4), with an average mass fraction of 3.3(+3.6)(-1.8) per cent, by combining data on both of these recently discovered galaxies. Our results are consistent with the predictions from cold dark matter simulations at the 95 per cent confidence level, and therefore agree with the view that galaxies formed hierarchically in a Universe composed of cold dark matter.

  1. Fast quantitative detection of cocaine in beverages using nanoextractive electrospray ionization tandem mass spectrometry.

    PubMed

    Hu, Bin; Peng, Xuejiao; Yang, Shuiping; Gu, Haiwei; Chen, Huanwen; Huan, Yanfu; Zhang, Tingting; Qiao, Xiaolin

    2010-02-01

    Without any sample pretreatment, effervescent beverage fluids were manually sprayed into the primary ion plume created by using a nanoelectrospray ionization source for direct ionization, and the analyte ions of interest were guided into an ion trap mass spectrometer for tandem mass analysis. Functional ingredients (e.g., vitamins, taurine, and caffeine, etc.) and spiked impurity (e.g., cocaine) in various beverages, such as Red Bull energy drink, Coco-cola, and Pepsi samples were rapidly identified within 1.5 s. The limit of detection was found to be 7-15 fg (S/N = 3) for cocaine in different samples using the characteristic fragment (m/z 150) observed in the MS(3) experiments. Typical relative standard deviation and recovery of this method were 6.9%-8.6% and 104%-108% for direct analysis of three actual samples, showing that nanoextractive electrospray ionization tandem mass spectrometry is a useful technique for fast screening cocaine presence in beverages.

  2. Prospects for detection of gravitational waves from intermediate-mass-ratio inspirals.

    PubMed

    Brown, Duncan A; Brink, Jeandrew; Fang, Hua; Gair, Jonathan R; Li, Chao; Lovelace, Geoffrey; Mandel, Ilya; Thorne, Kip S

    2007-11-16

    We explore prospects for detecting gravitational waves from stellar-mass compact objects spiraling into intermediate mass black holes (BHs) M approximately 50M to 350M) with ground-based observatories. We estimate a rate for such intermediate-mass-ratio inspirals of

  3. Acquiring Structural Information on Virus Particles with Charge Detection Mass Spectrometry

    PubMed Central

    Keifer, David Z.; Motwani, Tina; Teschke, Carolyn M.; Jarrold, Martin F.

    2016-01-01

    Charge detection mass spectrometry (CDMS) is a single-molecule technique particularly well-suited to measuring the mass and charge distributions of heterogeneous, MDa-sized ions. In this work, CDMS has been used to analyze the assembly products of two coat protein variants of bacteriophage P22. The assembly products show broad mass distributions extending from 5 to 15 MDa for A285Y and 5 to 25 MDa for A285T coat protein variants. Because the charge of large ions generated by electrospray ionization depends on their size, the charge can be used to distinguish hollow shells from more compact structures. A285T was found to form T = 4 and T = 7 procapsids, and A285Y makes a small number of T = 3 and T = 4 procapsids. Owing to the decreased stability of the A285Y and A285T particles, chemical cross-linking was required to stabilize them for electrospray CDMS. PMID:27020925

  4. Detection of alkylmethylphosphonic acids on leaf surfaces by static secondary ion mass spectrometry

    SciTech Connect

    Ingram, J.C.; Groenewold, G.S.; Appelhans, A.D.; Delmore, J.E.; Dahl, D.A. )

    1995-01-01

    Detection of environmental degradation products of nerve agents directly from the surface of plant leaves using static secondary ion mass spectrometry (SIMS) is demonstrated. Pinacolylmethylphosphonic acid (PMPA), isopropylmethylphosphonic acid (IMPA), and ethylmethylphosphonic acid (EMPA) were spiked from aqueous solutions onto philodendron leaves prior to analysis by static SIMS. Fragment ions were observed in the anion SIMS spectra from all three compounds at m/z 63, 77, 79, and 95, which are attributed to PO[sub 2][sup [minus

  5. Mass spectrometry-based methods for detection and differentiation of botulinum neurotoxins

    DOEpatents

    Schmidt, Jurgen G.; Boyer, Anne E.; Kalb, Suzanne R.; Moura, Hercules; Barr, John R.; Woolfitt, Adrian R.

    2009-11-03

    The present invention is directed to a method for detecting the presence of clostridial neurotoxins in a sample by mixing a sample with a peptide that can serve as a substrate for proteolytic activity of a clostridial neurotoxin; and measuring for proteolytic activity of a clostridial neurotoxin by a mass spectroscopy technique. In one embodiment, the peptide can have an affinity tag attached at two or more sites.

  6. A simple, robust and rapid approach to detect carbapenemases in Gram-negative isolates by MALDI-TOF mass spectrometry: validation with triple quadripole tandem mass spectrometry, microarray and PCR.

    PubMed

    Vogne, C; Prod'hom, G; Jaton, K; Decosterd, L A; Greub, G

    2014-12-01

    Carbapenemases should be accurately and rapidly detected, given their possible epidemiological spread and their impact on treatment options. Here, we developed a simple, easy and rapid matrix-assisted laser desorption ionization-time of flight (MALDI-TOF)-based assay to detect carbapenemases and compared this innovative test with four other diagnostic approaches on 47 clinical isolates. Tandem mass spectrometry (MS-MS) was also used to determine accurately the amount of antibiotic present in the supernatant after 1 h of incubation and both MALDI-TOF and MS-MS approaches exhibited a 100% sensitivity and a 100% specificity. By comparison, molecular genetic techniques (Check-MDR Carba PCR and Check-MDR CT103 microarray) showed a 90.5% sensitivity and a 100% specificity, as two strains of Aeromonas were not detected because their chromosomal carbapenemase is not targeted by probes used in both kits. Altogether, this innovative MALDI-TOF-based approach that uses a stable 10-μg disk of ertapenem was highly efficient in detecting carbapenemase, with a sensitivity higher than that of PCR and microarray.

  7. Mass detection on mammograms: signal variations and performance changes for human and model observers

    NASA Astrophysics Data System (ADS)

    Castella, C.; Kinkel, K.; Eckstein, M. P.; Abbey, C. K.; Verdun, F. R.; Saunders, R. S.; Samei, E.; Bochud, F. O.

    2008-03-01

    We studied the influence of signal variability on human and model observer performances for a detection task with mammographic backgrounds and computer generated clustered lumpy backgrounds (CLB). We used synthetic yet realistic masses and backgrounds that have been validated by radiologists during previous studies, ensuring conditions close to the clinical situation. Four trained non-physician observers participated in two-alternative forced-choice (2-AFC) experiments. They were asked to detect synthetic masses superimposed on real mammographic backgrounds or CLB. Separate experiments were conducted with sets of benign and malignant masses. Results under the signal-known-exactly (SKE) paradigm were compared with signal-known-statistically (SKS) experiments. In the latter case, the signal was chosen randomly for each of the 1,400 2-AFC trials (image pairs) among a set of 50 masses with similar dimensions, and the observers did not know which signal was present. Human observers' results were then compared with model observers (channelized Hotelling with Difference-of-Gaussian and Gabor channels) in the same experimental conditions. Results show that the performance of the human observers does not differ significantly when benign masses are superimposed on real images or on CLB with locally matched gray level mean and standard deviation. For both benign and malignant masses, the performance does not differ significantly between SKE and SKS experiments, when the signals' dimensions do not vary throughout the experiment. However, there is a performance drop when the SKS signals' dimensions vary from 5.5 to 9.5 mm in the same experiment. Noise level in the model observers can be adjusted to reproduce human observers' proportion of correct answers in the 2-AFC task within 5% accuracy for most conditions.

  8. Ion/molecule reactions for detecting ammonia using miniature cylindrical ion trap mass spectrometers.

    PubMed

    Smith, Jonell N; Keil, Adam D; Noll, Robert J; Cooks, R Graham

    2011-01-07

    Gaseous ammonia, a common toxic industrial compound, is not detected readily in ion trap mass spectrometers because its molecular ion falls below the low-mass cutoff (~m/z 40) normally used when examining organic compounds. Instead, reactions of ammonia with halobenzene radical cations were used with internal electron ionization in two cylindrical ion trap miniature mass spectrometers to create a characteristic product ion by which to identify and quantify ammonia. Ammonia showed a linear response over the concentration range studied (parts per million [ppm] to parts per billion [ppb]) with limits of detection of 17 ppm and 220 ppb for experiments involving direct introduction and thermal desorption after pre-concentration, respectively. These values are comparable to ammonia's permissible exposure limit (50 ppm) and odor threshold (5 ppm). Receiver operating characteristic (ROC) curves were used to describe the method sensitivity, the probability of true positives, and the false positive rate for ammonia. A customized reaction scan function was created to select the species available for the ion/molecule reaction and set the amount of time the product ion could be accumulated in the trap. Product ion identity was verified using tandem mass spectrometry. Similar reactions with methylamine, ethylamine and the two nitriles, acetonitrile and benzonitrile, were explored.

  9. Analysis of phenolic and triterpenoid compounds in licorice and rat plasma by high-performance liquid chromatography diode-array detection, time-of-flight mass spectrometry and quadrupole ion trap mass spectrometry.

    PubMed

    Tan, Guangguo; Zhu, Zhenyu; Zhang, Hai; Zhao, Liang; Liu, Yi; Dong, Xin; Lou, Ziyang; Zhang, Guoqing; Chai, Yifeng

    2010-01-01

    High-performance liquid chromatography with diode-array detection (HPLC/DAD), time-of-flight mass spectrometry (HPLC/TOFMS) and quadrupole ion trap mass spectrometry (HPLC/QITMS) were used for separation and identification of several compounds in licorice and rat plasma after oral administration of the herbal extract. Three phenolic compounds and one triterpenoid in licorice extract were unambiguously identified by comparing with the standard compounds. A formula database of known compounds in licorice was established, against which the other 42 compounds were identified effectively based on the accurate extract masses and formulae acquired by HPLC/TOFMS. In order to differentiate the isomers, tandem mass spectrometry was also used. The deduced fragmentation behaviors in QITMS were used to distinguish seven groups of isomers in licorice. By means of the three detectors, 46 compounds in licorice were identified. After oral administration of the extract, 25 compounds in rat plasma were detected and identified by comparing and contrasting the compounds measured in licorice with those in the plasma samples by HPLC/TOFMS. It is concluded that a rapid and effective method based on three analytical techniques was established, which is useful for identification of multiple compounds in licorice in vitro and in vivo. The result should be very useful for the quality control and curative mechanism study of licorice.

  10. Computerized detection of colorectal masses in CT colonography based on fuzzy merging and wall-thickening analysis.

    PubMed

    Näppi, Janne J; Frimmel, Hans; Dachman, Abraham H; Yoshida, Hiroyuki

    2004-04-01

    In recent years, several computer-aided detection (CAD) schemes have been developed for the detection of polyps in CT colonography (CTC). However, few studies have addressed the problem of computerized detection of colorectal masses in CTC. This is mostly because masses are considered to be well visualized by a radiologist because of their size and invasiveness. Nevertheless, the automated detection of masses would naturally complement the automated detection of polyps in CTC and would produce a more comprehensive computer aid to radiologists. Therefore, in this study, we identified some of the problems involved with the computerized detection of masses, and we developed a scheme for the computerized detection of masses that can be integrated into a CAD scheme for the detection of polyps. The performance of the mass detection scheme was evaluated by application to clinical CTC data sets. CTC was performed on 82 patients with helical CT scanners and reconstruction intervals of 1.0-5.0 mm in the supine and prone positions. Fourteen patients (17%) had a total of 14 masses of 30-50 mm, and sixteen patients (20%) had a total of 30 polyps 5-25 mm in diameter. Four patients had both polyps and masses. Fifty-six of the patients (68%) were normal. The CTC data were interpolated linearly to yield isotropic data sets, and the colon was extracted by use of a knowledge-guided segmentation technique. Two methods, fuzzy merging and wall-thickening analysis, were developed for the detection of masses. The fuzzy merging method detected masses with a significant intraluminal component by separating the initial CAD detections of locally cap-like shapes within the colonic wall into mass candidates and polyp candidates. The wall-thickening analysis detected nonintraluminal masses by searching the colonic wall for abnormal thickening. The final regions of the mass candidates were extracted by use of a level set method based on a fast marching algorithm. False-positive (FP) detections

  11. A comprehensive profiling of sulfatides in myelin from mouse brain using liquid chromatography coupled to high-resolution accurate tandem mass spectrometry.

    PubMed

    Pintado-Sierra, M; García-Álvarez, I; Bribián, A; Medina-Rodríguez, E M; Lebrón-Aguilar, R; Garrido, L; de Castro, F; Fernández-Mayoralas, A; Quintanilla-López, J E

    2017-01-25

    Sulfatides are sulfoglycolipids found in the myelin sheath. The composition ratio of sulfatide molecular species changes with age, and it has also been associated with the pathogenesis of various human central nervous system diseases. However, profiling sulfatides in biological samples is difficult, due to the great variety of molecular species. In this work, a new, easy and reliable liquid chromatography-electrospray tandem mass spectrometry (LC-ESI(+)-MS/MS) method has been developed to profile sulfatide content in biological samples of myelin. The 'wrong-way-round' ionization effect has been described for this type of molecules for the first time, making it possible to correctly identify as many as 37 different sulfatides in mouse brain myelin samples, including molecules with different fatty acid chain lengths and varying degrees of unsaturation and hydroxylation. A chemometric analysis of their relative abundances showed that the main difference among individuals of different ages was the content of sulfatides with odd-numbered fatty acid chains, in addition to hydroxylated species.

  12. Evaluation of Pulse Counting for the Mars Organic Mass Analyzer (MOMA) Ion Trap Detection Scheme

    NASA Technical Reports Server (NTRS)

    Van Amerom, Friso H.; Short, Tim; Brinckerhoff, William; Mahaffy, Paul; Kleyner, Igor; Cotter, Robert J.; Pinnick, Veronica; Hoffman, Lars; Danell, Ryan M.; Lyness, Eric I.

    2011-01-01

    The Mars Organic Mass Analyzer is being developed at Goddard Space Flight Center to identify organics and possible biological compounds on Mars. In the process of characterizing mass spectrometer size, weight, and power consumption, the use of pulse counting was considered for ion detection. Pulse counting has advantages over analog-mode amplification of the electron multiplier signal. Some advantages are reduced size of electronic components, low power consumption, ability to remotely characterize detector performance, and avoidance of analog circuit noise. The use of pulse counting as a detection method with ion trap instruments is relatively rare. However, with the recent development of high performance electrical components, this detection method is quite suitable and can demonstrate significant advantages over analog methods. Methods A prototype quadrupole ion trap mass spectrometer with an internal electron ionization source was used as a test setup to develop and evaluate the pulse-counting method. The anode signal from the electron multiplier was preamplified. The an1plified signal was fed into a fast comparator for pulse-level discrimination. The output of the comparator was fed directly into a Xilinx FPGA development board. Verilog HDL software was written to bin the counts at user-selectable intervals. This system was able to count pulses at rates in the GHz range. The stored ion count nun1ber per bin was transferred to custom ion trap control software. Pulse-counting mass spectra were compared with mass spectra obtained using the standard analog-mode ion detection. Prelin1inary Data Preliminary mass spectra have been obtained for both analog mode and pulse-counting mode under several sets of instrument operating conditions. Comparison of the spectra revealed better peak shapes for pulse-counting mode. Noise levels are as good as, or better than, analog-mode detection noise levels. To artificially force ion pile-up conditions, the ion trap was overfilled

  13. High-resolution Orbitrap™-based mass spectrometry for rapid detection of peanuts in nuts.

    PubMed

    Monaci, Linda; De Angelis, Elisabetta; Bavaro, Simona L; Pilolli, Rosa

    2015-01-01

    Peanut represents one of the most harmful allergenic foods capable of triggering severe and sometimes lethal reactions in allergic consumers upon ingestion of even small amounts. Several proteins capable of inducing allergic reactions that have been recognised by patients' IgE antibodies have been identified from this nut source. Methods mainly based on ELISA assays have been developed in order to detect peanuts in several food commodities. In addition LC-MS/MS methods based on different mass analysers have also been devised for tracing peanut contamination in different foods achieving low limits of detection. The applicability of a benchtop high-resolution Exactive™ mass spectrometer has never been investigated for the rapid screening of peanut contamination in complex food matrices like mixtures of nuts. We report in this paper the design of suitable peanut markers and the development of an high-resolution Orbitrap™ mass spectrometer-based method for peanut detection in a mixture of nuts species. With this aim, different types of samples were prepared: (1) nuts-based powder made up of a mixture of hazelnuts, pistachios, almonds and walnuts; and (2) nuts powder fortified with peanuts. Different levels of fortifications were produced and the applicability of the method was tested. Finally, a subset of six peptides fulfilling specific analytical requireme