Molecular imaging of cannabis leaf tissue with MeV-SIMS method

Energy Technology Data Exchange (ETDEWEB)

Jenčič, Boštjan, E-mail: bostjan.jencic@ijs.si [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Jeromel, Luka [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Ogrinc Potočnik, Nina [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); M4I, Maastricht University, Peter Debijelaan 25A, 6229 HX Maastricht (Netherlands); Vogel-Mikuš, Katarina [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); University of Ljubljana, Biotechnical Faculty, Dept. of Biology, Večna pot 11, SI-1000 Ljubljana (Slovenia); Kovačec, Eva; Regvar, Marjana [University of Ljubljana, Biotechnical Faculty, Dept. of Biology, Večna pot 11, SI-1000 Ljubljana (Slovenia); Siketić, Zdravko [Ruđer Bošković Institute, P.O. Box 180, 10000 Zagreb (Croatia); Vavpetič, Primož; Rupnik, Zdravko; Bučar, Klemen; Kelemen, Mitja; Kovač, Janez; Pelicon, Primož [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia)

2016-03-15

To broaden our analytical capabilities with molecular imaging in addition to the existing elemental imaging with micro-PIXE, a linear Time-Of-Flight mass spectrometer for MeV Secondary Ion Mass Spectrometry (MeV-SIMS) was constructed and added to the existing nuclear microprobe at the Jožef Stefan Institute. We measured absolute molecular yields and damage cross-section of reference materials, without significant alteration of the fragile biological samples during the duration of measurements in the mapping mode. We explored the analytical capability of the MeV-SIMS technique for chemical mapping of the plant tissue of medicinal cannabis leaves. A series of hand-cut plant tissue slices were prepared by standard shock-freezing and freeze-drying protocol and deposited on the Si wafer. We show the measured MeV-SIMS spectra showing a series of peaks in the mass area of cannabinoids, as well as their corresponding maps. The indicated molecular distributions at masses of 345.5 u and 359.4 u may be attributed to the protonated THCA and THCA-C4 acids, and show enhancement in the areas with opened trichome morphology.

Molecular imaging of cannabis leaf tissue with MeV-SIMS method

International Nuclear Information System (INIS)

Jenčič, Boštjan; Jeromel, Luka; Ogrinc Potočnik, Nina; Vogel-Mikuš, Katarina; Kovačec, Eva; Regvar, Marjana; Siketić, Zdravko; Vavpetič, Primož; Rupnik, Zdravko; Bučar, Klemen; Kelemen, Mitja; Kovač, Janez; Pelicon, Primož

2016-01-01

To broaden our analytical capabilities with molecular imaging in addition to the existing elemental imaging with micro-PIXE, a linear Time-Of-Flight mass spectrometer for MeV Secondary Ion Mass Spectrometry (MeV-SIMS) was constructed and added to the existing nuclear microprobe at the Jožef Stefan Institute. We measured absolute molecular yields and damage cross-section of reference materials, without significant alteration of the fragile biological samples during the duration of measurements in the mapping mode. We explored the analytical capability of the MeV-SIMS technique for chemical mapping of the plant tissue of medicinal cannabis leaves. A series of hand-cut plant tissue slices were prepared by standard shock-freezing and freeze-drying protocol and deposited on the Si wafer. We show the measured MeV-SIMS spectra showing a series of peaks in the mass area of cannabinoids, as well as their corresponding maps. The indicated molecular distributions at masses of 345.5 u and 359.4 u may be attributed to the protonated THCA and THCA-C4 acids, and show enhancement in the areas with opened trichome morphology.

Detection of sputtered molecular doubly charged anions: a comparison of secondary-ion mass spectrometry (SIMS) and accelerator mass spectrometry (AMS)

International Nuclear Information System (INIS)

Gnaser, Hubert; Golser, Robin; Kutschera, Walter; Priller, Alfred; Steier, Peter; Vockenhuber, Christof

2004-01-01

The detection of small molecular dianions by secondary-ion mass spectrometry (SIMS) and by accelerator mass spectrometry (AMS) is compared. In SIMS, the existence of these dianions can be identified safely if the total mass number of the molecule is odd and the dianion is hence detected at a half-integral mass number. The occurrence of fragmentation processes which may interfere with this scheme, is illustrated by means of the energy spectra of singly and doubly charged negative cluster ions. As compared to SIMS, AMS can rely, in addition, on the break-up of molecular species in the stripping process: this allows to monitor the simultaneous arrival of several atomic constituents with a clear energetic pattern in coincidence at the detector. This feature is exemplified for the C 10 2- dianion

Automated correlation and classification of secondary ion mass spectrometry images using a k-means cluster method.

Science.gov (United States)

Konicek, Andrew R; Lefman, Jonathan; Szakal, Christopher

2012-08-07

We present a novel method for correlating and classifying ion-specific time-of-flight secondary ion mass spectrometry (ToF-SIMS) images within a multispectral dataset by grouping images with similar pixel intensity distributions. Binary centroid images are created by employing a k-means-based custom algorithm. Centroid images are compared to grayscale SIMS images using a newly developed correlation method that assigns the SIMS images to classes that have similar spatial (rather than spectral) patterns. Image features of both large and small spatial extent are identified without the need for image pre-processing, such as normalization or fixed-range mass-binning. A subsequent classification step tracks the class assignment of SIMS images over multiple iterations of increasing n classes per iteration, providing information about groups of images that have similar chemistry. Details are discussed while presenting data acquired with ToF-SIMS on a model sample of laser-printed inks. This approach can lead to the identification of distinct ion-specific chemistries for mass spectral imaging by ToF-SIMS, as well as matrix-assisted laser desorption ionization (MALDI), and desorption electrospray ionization (DESI).

Challenges of biological sample preparation for SIMS imaging of elements and molecules at subcellular resolution

International Nuclear Information System (INIS)

Chandra, Subhash

2008-01-01

Secondary ion mass spectrometry (SIMS) based imaging techniques capable of subcellular resolution characterization of elements and molecules are becoming valuable tools in many areas of biology and medicine. Due to high vacuum requirements of SIMS, the live cells cannot be analyzed directly in the instrument. The sample preparation, therefore, plays a critical role in preserving the native chemical composition for SIMS analysis. This work focuses on the evaluation of frozen-hydrated and frozen freeze-dried sample preparations for SIMS studies of cultured cells with a CAMECA IMS-3f dynamic SIMS ion microscope instrument capable of producing SIMS images with a spatial resolution of 500 nm. The sandwich freeze-fracture method was used for fracturing the cells. The complimentary fracture planes in the plasma membrane were characterized by field-emission secondary electron microscopy (FESEM) in the frozen-hydrated state. The cells fractured at the dorsal surface were used for SIMS analysis. The frozen-hydrated SIMS analysis of individual cells under dynamic primary ion beam (O 2 + ) revealed local secondary ion signal enhancements correlated with the water image signals of 19 (H 3 O) + . A preferential removal of water from the frozen cell matrix in the Z-axis was also observed. These complications render the frozen-hydrated sample type less desirable for subcellular dynamic SIMS studies. The freeze-drying of frozen-hydrated cells, either inside the instrument or externally in a freeze-drier, allowed SIMS imaging of subcellular chemical composition. Morphological evaluations of fractured freeze-dried cells with SEM and confocal laser scanning microscopy (CLSM) revealed well-preserved mitochondria, Golgi apparatus, and stress fibers. SIMS analysis of fractured freeze-dried cells revealed well-preserved chemical composition of even the most highly diffusible ions like K + and Na + in physiologically relevant concentrations. The high K-low Na signature in individual cells

Challenges of biological sample preparation for SIMS imaging of elements and molecules at subcellular resolution

Science.gov (United States)

Chandra, Subhash

2008-12-01

Secondary ion mass spectrometry (SIMS) based imaging techniques capable of subcellular resolution characterization of elements and molecules are becoming valuable tools in many areas of biology and medicine. Due to high vacuum requirements of SIMS, the live cells cannot be analyzed directly in the instrument. The sample preparation, therefore, plays a critical role in preserving the native chemical composition for SIMS analysis. This work focuses on the evaluation of frozen-hydrated and frozen freeze-dried sample preparations for SIMS studies of cultured cells with a CAMECA IMS-3f dynamic SIMS ion microscope instrument capable of producing SIMS images with a spatial resolution of 500 nm. The sandwich freeze-fracture method was used for fracturing the cells. The complimentary fracture planes in the plasma membrane were characterized by field-emission secondary electron microscopy (FESEM) in the frozen-hydrated state. The cells fractured at the dorsal surface were used for SIMS analysis. The frozen-hydrated SIMS analysis of individual cells under dynamic primary ion beam (O 2+) revealed local secondary ion signal enhancements correlated with the water image signals of 19(H 3O) +. A preferential removal of water from the frozen cell matrix in the Z-axis was also observed. These complications render the frozen-hydrated sample type less desirable for subcellular dynamic SIMS studies. The freeze-drying of frozen-hydrated cells, either inside the instrument or externally in a freeze-drier, allowed SIMS imaging of subcellular chemical composition. Morphological evaluations of fractured freeze-dried cells with SEM and confocal laser scanning microscopy (CLSM) revealed well-preserved mitochondria, Golgi apparatus, and stress fibers. SIMS analysis of fractured freeze-dried cells revealed well-preserved chemical composition of even the most highly diffusible ions like K + and Na + in physiologically relevant concentrations. The high K-low Na signature in individual cells

Visualizing Antimicrobials in Bacterial Biofilms: Three-Dimensional Biochemical Imaging Using TOF-SIMS.

Science.gov (United States)

Davies, Sarah K; Fearn, Sarah; Allsopp, Luke P; Harrison, Freya; Ware, Ecaterina; Diggle, Stephen P; Filloux, Alain; McPhail, David S; Bundy, Jacob G

2017-01-01

Bacterial biofilms are groups of bacteria that exist within a self-produced extracellular matrix, adhering to each other and usually to a surface. They grow on medical equipment and inserts such as catheters and are responsible for many persistent infections throughout the body, as they can have high resistance to many antimicrobials. Pseudomonas aeruginosa is an opportunistic pathogen that can cause both acute and chronic infections and is used as a model for research into biofilms. Direct biochemical methods of imaging of molecules in bacterial biofilms are of high value in gaining a better understanding of the fundamental biology of biofilms and biochemical gradients within them. Time of flight-secondary-ion mass spectrometry (TOF-SIMS) is one approach, which combines relatively high spatial resolution and sensitivity and can perform depth profiling analysis. It has been used to analyze bacterial biofilms but has not yet been used to study the distribution of antimicrobials (including antibiotics and the antimicrobial metal gallium) within biofilms. Here we compared two methods of imaging of the interior structure of P. aeruginosa in biological samples using TOF-SIMS, looking at both antimicrobials and endogenous biochemicals: cryosectioning of tissue samples and depth profiling to give pseudo-three-dimensional (pseudo-3D) images. The sample types included both simple biofilms grown on glass slides and bacteria growing in tissues in an ex vivo pig lung model. The two techniques for the 3D imaging of biofilms are potentially valuable complementary tools for analyzing bacterial infection. IMPORTANCE Modern analytical techniques are becoming increasingly important in the life sciences; imaging mass spectrometry offers the opportunity to gain unprecedented amounts of information on the distribution of chemicals in samples-both xenobiotics and endogenous compounds. In particular, simultaneous imaging of antibiotics (and other antimicrobial compounds) and bacterium

"Afterlife experiment": use of MALDI-MS and SIMS imaging for the study of the nitrogen cycle within plants.

Science.gov (United States)

Seaman, Callie; Flinders, Bryn; Eijkel, Gert; Heeren, Ron M A; Bricklebank, Neil; Clench, Malcolm R

2014-10-21

As part of a project to demonstrate the science of decay, a series of mass spectrometry imaging experiments were performed. The aim was to demonstrate that decay and decomposition are only part of the story and to show pictorially that atoms and molecules from dead plants and animals are incorporated into new life. Radish plants (Raphanus sativus) were grown hydroponically using a nutrient system containing (15)N KNO3 (98% labeled) as the only source of nitrogen. Plants were cropped and left to ferment in water for 2 weeks to create a radish "tea", which was used as a source of nitrogen for radish grown in a second hydroponics experiment. After 5 weeks of growth, the radish plants were harvested and cryosectioned, and sections were imaged by positive-ion MALDI and SIMS mass spectrometry imaging. The presence of labeled species in the plants grown using (15)N KNO3 as nutrient and those grown from the radish "tea" was readily discernible. The uptake of (15)N into a number of identifiable metabolites has been studied by MALDI-MS and SIMS imaging.

NanoSIMS multi-element imaging reveals internalisation and nucleolar targeting for a highly-charged polynuclear platinum compound.

Science.gov (United States)

Wedlock, Louise E; Kilburn, Matt R; Liu, Rong; Shaw, Jeremy A; Berners-Price, Susan J; Farrell, Nicholas P

2013-08-11

Simultaneous multi-element imaging using NanoSIMS (nano-scale secondary ion mass spectrometry), exploiting the novel combination of (195)Pt and (15)N in platinum-am(m)ine antitumour drugs, provides information on the internalisation and subcellular localisation of both metal and ligands, and allows identification of ligand exchange.

Investigation of the cosmetic ingredient distribution in the stratum corneum using NanoSIMS imaging

International Nuclear Information System (INIS)

Tanji, N.; Okamoto, M.; Katayama, Y.; Hosokawa, M.; Takahata, N.; Sano, Y.

2008-01-01

In order to understand the mechanisms of action of cosmetic ingredients, it is important to establish the distribution of the component agents within the epidermis of the skin. To date, time-of-flight secondary ion mass spectrometry (TOF-SIMS) has been used to detect cosmetic ingredients in the skin. However, it is technically difficult to investigate the distribution of the agents in the stratum corneum using TOF-SIMS. Therefore, an analytical method with higher spatial resolution is required. In this study, we investigated an imaging analysis technique based on NanoSIMS to detect cosmetic ingredients in the skin. Pig skin was used as a model for human skin. The sample was treated with a cosmetic formulation containing 15 N-labelled pseudo-ceramide (SLE). The sample was frozen with liquid nitrogen and cross-sections were cut using a cryomicrotome. As a result, the fine layer structure of the corneocytes was clearly observed by using NanoSIMS. Our studies indicate that SLE penetrates into the stratum corneum via an intercellular route. We conclude that application of NanoSIMS analysis can contribute to a better understanding of the function of cosmetic ingredients in the skin.

Nanoscale imaging of alteration layers of corroded international simple glass particles using ToF-SIMS

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jiandong; Neeway, James J.; Zhang, Yanyan; Ryan, Joseph V.; Yuan, Wei; Wang, Tieshan; Zhu, Zihua

2017-08-01

Glass particles with dimensions typically ranging from tens to hundreds of microns are often used in glass corrosion research in order to accelerate testing. Two-dimensional and three-dimensional nanoscale imaging techniques are badly needed to characterize the alteration layers at the surfaces of these corroded glass particles. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) can provide a lateral resolution as low as ~100 nm, and, compared to other imaging techniques, is sensitive to elements lighter than carbon. In this work, we used ToF-SIMS to characterize the alteration layers of corroded international simple glass (ISG) particles. At most particle surfaces, inhomogeneous or no alteration layers were observed, indicating that the thickness of the alterations layers may be too thin to be observable by ToF-SIMS imaging. Relatively thick (e.g., 1-10 microns) alteration layers were inhomogeneously distributed at a small portion of surfaces. More interestingly, some large-size (tens of microns) glass particles were fully altered. Above observations suggest that weak attachment and the defects on ISG particle surfaces play an important role in ISG glass corrosion.

Improved mass resolution and mass accuracy in TOF-SIMS spectra and images using argon gas cluster ion beams.

Science.gov (United States)

Shon, Hyun Kyong; Yoon, Sohee; Moon, Jeong Hee; Lee, Tae Geol

2016-06-09

The popularity of argon gas cluster ion beams (Ar-GCIB) as primary ion beams in time-of-flight secondary ion mass spectrometry (TOF-SIMS) has increased because the molecular ions of large organic- and biomolecules can be detected with less damage to the sample surfaces. However, Ar-GCIB is limited by poor mass resolution as well as poor mass accuracy. The inferior quality of the mass resolution in a TOF-SIMS spectrum obtained by using Ar-GCIB compared to the one obtained by a bismuth liquid metal cluster ion beam and others makes it difficult to identify unknown peaks because of the mass interference from the neighboring peaks. However, in this study, the authors demonstrate improved mass resolution in TOF-SIMS using Ar-GCIB through the delayed extraction of secondary ions, a method typically used in TOF mass spectrometry to increase mass resolution. As for poor mass accuracy, although mass calibration using internal peaks with low mass such as hydrogen and carbon is a common approach in TOF-SIMS, it is unsuited to the present study because of the disappearance of the low-mass peaks in the delayed extraction mode. To resolve this issue, external mass calibration, another regularly used method in TOF-MS, was adapted to enhance mass accuracy in the spectrum and image generated by TOF-SIMS using Ar-GCIB in the delayed extraction mode. By producing spectra analyses of a peptide mixture and bovine serum albumin protein digested with trypsin, along with image analyses of rat brain samples, the authors demonstrate for the first time the enhancement of mass resolution and mass accuracy for the purpose of analyzing large biomolecules in TOF-SIMS using Ar-GCIB through the use of delayed extraction and external mass calibration.

High-resolution high-sensitivity elemental imaging by secondary ion mass spectrometry: from traditional 2D and 3D imaging to correlative microscopy

International Nuclear Information System (INIS)

Wirtz, T; Philipp, P; Audinot, J-N; Dowsett, D; Eswara, S

2015-01-01

Secondary ion mass spectrometry (SIMS) constitutes an extremely sensitive technique for imaging surfaces in 2D and 3D. Apart from its excellent sensitivity and high lateral resolution (50 nm on state-of-the-art SIMS instruments), advantages of SIMS include high dynamic range and the ability to differentiate between isotopes. This paper first reviews the underlying principles of SIMS as well as the performance and applications of 2D and 3D SIMS elemental imaging. The prospects for further improving the capabilities of SIMS imaging are discussed. The lateral resolution in SIMS imaging when using the microprobe mode is limited by (i) the ion probe size, which is dependent on the brightness of the primary ion source, the quality of the optics of the primary ion column and the electric fields in the near sample region used to extract secondary ions; (ii) the sensitivity of the analysis as a reasonable secondary ion signal, which must be detected from very tiny voxel sizes and thus from a very limited number of sputtered atoms; and (iii) the physical dimensions of the collision cascade determining the origin of the sputtered ions with respect to the impact site of the incident primary ion probe. One interesting prospect is the use of SIMS-based correlative microscopy. In this approach SIMS is combined with various high-resolution microscopy techniques, so that elemental/chemical information at the highest sensitivity can be obtained with SIMS, while excellent spatial resolution is provided by overlaying the SIMS images with high-resolution images obtained by these microscopy techniques. Examples of this approach are given by presenting in situ combinations of SIMS with transmission electron microscopy (TEM), helium ion microscopy (HIM) and scanning probe microscopy (SPM). (paper)

Mass Spectrometry Imaging of Biological Tissue: An Approach for Multicenter Studies

Energy Technology Data Exchange (ETDEWEB)

Rompp, Andreas; Both, Jean-Pierre; Brunelle, Alain; Heeren, Ronald M.; Laprevote, Olivier; Prideaux, Brendan; Seyer, Alexandre; Spengler, Bernhard; Stoeckli, Markus; Smith, Donald F.

2015-03-01

Mass spectrometry imaging has become a popular tool for probing the chemical complexity of biological surfaces. This led to the development of a wide range of instrumentation and preparation protocols. It is thus desirable to evaluate and compare the data output from different methodologies and mass spectrometers. Here, we present an approach for the comparison of mass spectrometry imaging data from different laboratories (often referred to as multicenter studies). This is exemplified by the analysis of mouse brain sections in five laboratories in Europe and the USA. The instrumentation includes matrix-assisted laser desorption/ionization (MALDI)-time-of-flight (TOF), MALDI-QTOF, MALDIFourier transform ion cyclotron resonance (FTICR), atmospheric-pressure (AP)-MALDI-Orbitrap, and cluster TOF-secondary ion mass spectrometry (SIMS). Experimental parameters such as measurement speed, imaging bin width, and mass spectrometric parameters are discussed. All datasets were converted to the standard data format imzML and displayed in a common open-source software with identical parameters for visualization, which facilitates direct comparison of MS images. The imzML conversion also allowed exchange of fully functional MS imaging datasets between the different laboratories. The experiments ranged from overview measurements of the full mouse brain to detailed analysis of smaller features (depending on spatial resolution settings), but common histological features such as the corpus callosum were visible in all measurements. High spatial resolution measurements of AP-MALDI-Orbitrap and TOF-SIMS showed comparable structures in the low-micrometer range. We discuss general considerations for planning and performing multicenter studies in mass spectrometry imaging. This includes details on the selection, distribution, and preparation of tissue samples as well as on data handling. Such multicenter studies in combination with ongoing activities for reporting guidelines, a common

Biochemical imaging of tissues by SIMS for biomedical applications

International Nuclear Information System (INIS)

Lee, Tae Geol; Park, Ji-Won; Shon, Hyun Kyong; Moon, Dae Won; Choi, Won Woo; Li, Kapsok; Chung, Jin Ho

2008-01-01

With the development of optimal surface cleaning techniques by cluster ion beam sputtering, certain applications of SIMS for analyzing cells and tissues have been actively investigated. For this report, we collaborated with bio-medical scientists to study bio-SIMS analyses of skin and cancer tissues for biomedical diagnostics. We pay close attention to the setting up of a routine procedure for preparing tissue specimens and treating the surface before obtaining the bio-SIMS data. Bio-SIMS was used to study two biosystems, skin tissues for understanding the effects of photoaging and colon cancer tissues for insight into the development of new cancer diagnostics for cancer. Time-of-flight SIMS imaging measurements were taken after surface cleaning with cluster ion bombardment by Bi n or C 60 under varying conditions. The imaging capability of bio-SIMS with a spatial resolution of a few microns combined with principal component analysis reveal biologically meaningful information, but the lack of high molecular weight peaks even with cluster ion bombardment was a problem. This, among other problems, shows that discourse with biologists and medical doctors are critical to glean any meaningful information from SIMS mass spectrometric and imaging data. For SIMS to be accepted as a routine, daily analysis tool in biomedical laboratories, various practical sample handling methodology such as surface matrix treatment, including nano-metal particles and metal coating, in addition to cluster sputtering, should be studied

3D molecular imaging SIMS

Energy Technology Data Exchange (ETDEWEB)

Gillen, Greg [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States)]. E-mail: Greg.gillen@nist.gov; Fahey, Albert [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States); Wagner, Matt [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States); Mahoney, Christine [Surface and Microanalysis Science Division, National Institute of Standards and Technology, Gaithersburg, MD 20899-8371 (United States)

2006-07-30

Thin monolayer and bilayer films of spin cast poly(methyl methacrylate) (PMMA), poly(2-hydroxyethyl methacrylate) (PHEMA), poly(lactic) acid (PLA) and PLA doped with several pharmaceuticals have been analyzed by dynamic SIMS using SF{sub 5} {sup +} polyatomic primary ion bombardment. Each of these systems exhibited minimal primary beam-induced degradation under cluster ion bombardment allowing molecular depth profiles to be obtained through the film. By combing secondary ion imaging with depth profiling, three-dimensional molecular image depth profiles have been obtained from these systems. In another approach, bevel cross-sections are cut in the samples with the SF{sub 5} {sup +} primary ion beam to produce a laterally magnified cross-section of the sample that does not contain the beam-induced damage that would be induced by conventional focussed ion beam (FIB) cross-sectioning. The bevel surface can then be examined using cluster SIMS imaging or other appropriate microanalysis technique.

Detection of SiO2 nanoparticles in lung tissue by ToF-SIMS imaging and fluorescence microscopy.

Science.gov (United States)

Veith, Lothar; Vennemann, Antje; Breitenstein, Daniel; Engelhard, Carsten; Wiemann, Martin; Hagenhoff, Birgit

2017-07-10

The direct detection of nanoparticles in tissues at high spatial resolution is a current goal in nanotoxicology. Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is widely used for the direct detection of inorganic and organic substances with high spatial resolution but its capability to detect nanoparticles in tissue sections is still insufficiently explored. To estimate the applicability of this technique for nanotoxicological questions, comparative studies with established techniques on the detection of nanoparticles can offer additional insights. Here, we compare ToF-SIMS imaging data with sub-micrometer spatial resolution to fluorescence microscopy imaging data to explore the usefulness of ToF-SIMS for the detection of nanoparticles in tissues. SiO 2 nanoparticles with a mean diameter of 25 nm, core-labelled with fluorescein isothiocyanate, were intratracheally instilled into rat lungs. Subsequently, imaging of lung cryosections was performed with ToF-SIMS and fluorescence microscopy. Nanoparticles were successfully detected with ToF-SIMS in 3D microanalysis mode based on the lateral distribution of SiO 3 - (m/z 75.96), which was co-localized with the distribution pattern that was obtained from nanoparticle fluorescence. In addition, the lateral distribution of protein (CN - , m/z 26.00) and phosphate based signals (PO 3 - , m/z 78.96) originating from the tissue material could be related to the SiO 3 - lateral distribution. In conclusion, ToF-SIMS is suitable to directly detect and laterally resolve SiO 2 nanomaterials in biological tissue at sufficient intensity levels. At the same time, information about the chemical environment of the nanoparticles in the lung tissue sections is obtained.

Imaging of dopant distribution in optical fibers with an orthogonal TOF SIMS

Czech Academy of Sciences Publication Activity Database

Lorinčík, Jan; Kašík, Ivan; Vaniš, Jan; Sedláček, L.; Dluhoš, J.

2014-01-01

Roč. 46, č. 1 (2014), s. 238-240 ISSN 0142-2421. [19th International Conference on Secondary Ion Mass Spectrometry ( SIMS ). Jeju, 29.09.2013-04.10.2013] Grant - others:GA AV ČR(CZ) M100761202 Institutional support: RVO:67985882 Keywords : TOF SIMS * Optical fibers * Dopant Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.245, year: 2014

ToF-SIMS imaging of molecular-level alteration mechanisms in Le Bonheur de vivre by Henri Matisse

Energy Technology Data Exchange (ETDEWEB)

Voras, Zachary E.; Wiggins, Marcie B.; Beebe, Thomas P. [University of Delaware, Department of Chemistry and Biochemistry, Newark, DE (United States); University of Delaware, UD Surface Analysis Facility, Newark, DE (United States); DeGhetaldi, Kristin [University of Delaware, Department of Art Conservation, Newark, DE (United States); Winterthur-University of Delaware Program in Art Conservation, Winterthur, DE (United States); Buckley, Barbara [The Barnes Foundation, Department of Conservation, Philadelphia, PA (United States); Baade, Brian [University of Delaware, Department of Art Conservation, Newark, DE (United States); Mass, Jennifer L. [Winterthur Museum, Scientific Research and Analysis Laboratory, Conservation Department, Winterthur, DE (United States)

2015-11-15

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) has recently been shown to be a valuable tool for cultural heritage studies, especially when used in conjunction with established analytical techniques in the field. The ability of ToF-SIMS to simultaneously image inorganic and organic species within a paint cross section at micrometer-level spatial resolution makes it a uniquely qualified analytical technique to aid in further understanding the processes of pigment and binder alteration, as well as pigment-binder interactions. In this study, ToF-SIMS was used to detect and image both molecular and elemental species related to CdS pigment and binding medium alteration on the painting Le Bonheur de vivre (1905-1906, The Barnes Foundation) by Henri Matisse. Three categories of inorganic and organic components were found throughout Le Bonheur de vivre and co-localized in cross-sectional samples using high spatial resolution ToF-SIMS analysis: (1) species relating to the preparation and photo-induced oxidation of CdS yellow pigments (2) varying amounts of long-chain fatty acids present in both the paint and primary ground layer and (3) specific amino acid fragments, possibly relating to the painting's complex restoration history. ToF-SIMS's ability to discern both organic and inorganic species via cross-sectional imaging was used to compare samples collected from Le Bonheur de vivre to artificially aged reference paints in an effort to gather mechanistic information relating to alteration processes that have been previously explored using μXANES, SR-μXRF, SEM-EDX, and SR-FTIR. The relatively high sensitivity offered by ToF-SIMS imaging coupled to the high spatial resolution allowed for the positive identification of degradation products (such as cadmium oxalate) in specific paint regions that have before been unobserved. The imaging of organic materials has provided an insight into the extent of destruction of the original binding medium, as well as

ToF-SIMS imaging of molecular-level alteration mechanisms in Le Bonheur de vivre by Henri Matisse.

Science.gov (United States)

Voras, Zachary E; deGhetaldi, Kristin; Wiggins, Marcie B; Buckley, Barbara; Baade, Brian; Mass, Jennifer L; Beebe, Thomas P

2015-11-01

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) has recently been shown to be a valuable tool for cultural heritage studies, especially when used in conjunction with established analytical techniques in the field. The ability of ToF-SIMS to simultaneously image inorganic and organic species within a paint cross section at micrometer-level spatial resolution makes it a uniquely qualified analytical technique to aid in further understanding the processes of pigment and binder alteration, as well as pigment-binder interactions. In this study, ToF-SIMS was used to detect and image both molecular and elemental species related to CdS pigment and binding medium alteration on the painting Le Bonheur de vivre (1905-1906, The Barnes Foundation) by Henri Matisse. Three categories of inorganic and organic components were found throughout Le Bonheur de vivre and co-localized in cross-sectional samples using high spatial resolution ToF-SIMS analysis: (1) species relating to the preparation and photo-induced oxidation of CdS yellow pigments (2) varying amounts of long-chain fatty acids present in both the paint and primary ground layer and (3) specific amino acid fragments, possibly relating to the painting's complex restoration history. ToF-SIMS's ability to discern both organic and inorganic species via cross-sectional imaging was used to compare samples collected from Le Bonheur de vivre to artificially aged reference paints in an effort to gather mechanistic information relating to alteration processes that have been previously explored using μXANES, SR-μXRF, SEM-EDX, and SR-FTIR. The relatively high sensitivity offered by ToF-SIMS imaging coupled to the high spatial resolution allowed for the positive identification of degradation products (such as cadmium oxalate) in specific paint regions that have before been unobserved. The imaging of organic materials has provided an insight into the extent of destruction of the original binding medium, as well as

MALDI-TOF and cluster-TOF-SIMS imaging of Fabry disease biomarkers

Science.gov (United States)

Touboul, David; Roy, Sandrine; Germain, Dominique P.; Chaminade, Pierre; Brunelle, Alain; Laprevote, Olivier

2007-02-01

Fabry disease is an X-linked disorder of glycosphingolipid metabolism, in which a partial or total deficiency of [alpha]-galactosidase A, a lysosomal enzyme, results in the progressive accumulation of neutral glycosphingolipids (globotriaosylceramide and digalactosylceramide) in most fluids and tissues of the body. Few information is available about the composition and distribution in tissues of the accumulated glycosphingolipids species. Mass spectrometry imaging is an innovative technique, which can provide pieces of information about the distribution of numerous biological compounds, such as lipids, directly on the tissue sections. MALDI-TOF and cluster-TOF-SIMS imaging approaches were used to study the localization of lipids (cholesterol, cholesterol sulfate, vitamin E, glycosphingolipids ...) on skin and kidney sections of patients affected by the Fabry disease. Numerous information on pathophysiology were enlightened by both techniques.

Secondary ion mass spectrometry (SIMS)

International Nuclear Information System (INIS)

Grasserbauer, M.

1986-01-01

After an introductory chapter the subject is covered under the following headings: principles and physical fundamentals, measurement equipment, analytic characteristics, sample preparation, special measuring techniques for insulators, analytic procedures and applications of SIMS, summarized evaluation of SIMS. 108 references, 60 figures, and 13 tables are included

Chemical Visualization of Sweat Pores in Fingerprints Using GO-Enhanced TOF-SIMS.

Science.gov (United States)

Cai, Lesi; Xia, Meng-Chan; Wang, Zhaoying; Zhao, Ya-Bin; Li, Zhanping; Zhang, Sichun; Zhang, Xinrong

2017-08-15

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) has been used in imaging of small molecules (SIMS was used to detect and image relatively high mass molecules such as poison, alkaloids (>600 Da) and controlled drugs, and antibiotics (>700 Da) in fingerprints. Detail features of fingerprints such as the number and distribution of sweat pores in a ridge and even the delicate morphology of one pore were clearly revealed in SIMS images of relatively high mass molecules. The detail features combining with identified chemical composition were sufficient to establish a human identity and link the suspect to a crime scene. The wide detectable mass range and high spatial resolution make GO-enhanced TOF-SIMS a promising tool in accurate and fast analysis of fingerprints, especially in fragmental fingerprint analysis.

Analysis of organic compounds by secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS)

International Nuclear Information System (INIS)

Ewinger, H.P.

1993-05-01

This study is about the use of secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS) as analytical techniques with depth resolution in determining organic components in environmental solid microparticles. The first application of plasma SNMS to organic compounds revealed the spectra to be composed mainly of signals from the atoms of all participating elements, such as C, H, O, N, S, P, and Cl. In addition, signals produced by multi-atomic clusters can be detected, such as CH, C 2 , CH 2 , C 2 H, and C 3 , as well as signals indicating the presence of organic compounds with hetero elements, such as OH, NH, and CN. Their intensity decreases very markedly with increasing numbers of atoms. Among the signals from bi-atomic clusters, those coming from elements with large mass differences are most intense. The use of plasma SNMS with organic compounds has shown that, except for spurious chemical reactions induced by ion bombardment and photodesorption by the photons of the plasma, it is possible to analyze with resolution in depth, elements of organic solids. A more detailed molecular characterization of organic compounds is possible by means of SIMS on the basis of multi-atomic fragments and by comparison with suitable signal patterns. (orig./BBR) [de

Molecular imaging of alkaloids in khat (Catha edulis) leaves with MeV-SIMS

Science.gov (United States)

Jenčič, Boštjan; Jeromel, Luka; Ogrinc Potočnik, Nina; Vogel-Mikuš, Katarina; Vavpetič, Primož; Rupnik, Zdravko; Bučar, Klemen; Vencelj, Matjaž; Kelemen, Mitja; Matsuo, Jiro; Kusakari, Masakazu; Siketić, Zdravko; Al-Jalali, Muhammad A.; Shaltout, Abdallah; Pelicon, Primož

2017-08-01

Imaging Mass Spectroscopy (IMS) is a unique research tool providing localization and identification of a wide range of biomolecules as essential data to understand biochemical processes in living organisms. Secondary Ion Mass Spectrometry with high-energy heavy ions (MeV-SIMS) is emerging as a promising IMS technique for chemical imaging of biological tissue. We measured the molecular mass spatial distributions in leaves of khat (Catha edulis). Khat is a natural drug plant, native to eastern Africa and the Arabian Peninsula. In these countries, fresh leaves are being chewed by significant part of population. It was reported that 80% of the adult population in Yemen chew the khat leaves. The main stimulating effects of khat are induced by a monoamine alkaloid called cathinone. During leaf ageing, cathinone is further metabolised to cathine and norephedrine. Earlier studies identified the alkaloids in khat, however little is known on their spatial distribution, reflecting the biosynthesis and accumulation in the tissue. Chemical mapping of alkaloids on cross-sections of khat leaves by MeV-SIMS was done at JSI by a pulsed 5.8 MeV 35Cl6+ beam, focused to a diameter of 15 μm, using a linear time-of-flight (TOF) spectrometer with a mass resolution of 500. In addition, measurements of MeV-SIMS mass spectra were performed at Kyoto University by a continuous broad beam of 6 MeV 63Cu4+ ions at an orthogonal TOF spectrometer with a high mass resolution of 11,000. Sections of leaves were analysed and mass spectra obtained at both MeV-SIMS setups were compared. Tissue-level distributions of detected alkaloids are presented and discussed.

Mass spectrometry imaging: Towards a lipid microscope?

Science.gov (United States)

Touboul, David; Brunelle, Alain; Laprévote, Olivier

2011-01-01

Biological imaging techniques are the most efficient way to locally measure the variation of different parameters on tissue sections. These analyses are gaining increasing interest since 20 years and allow observing extremely complex biological phenomena at lower and lower time and resolution scale. Nevertheless, most of them only target very few compounds of interest, which are chosen a priori, due to their low resolution power and sensitivity. New chemical imaging technique has to be introduced in order to overcome these limitations, leading to more informative and sensitive analyses for biologists and physicians. Two major mass spectrometry methods can be efficiently used to generate the distribution of biological compounds over a tissue section. Matrix-Assisted Laser Desorption/Ionisation-Mass Spectrometry (MALDI-MS) needs the co-crystallization of the sample with a matrix before to be irradiated by a laser, whereas the analyte is directly desorbed by a primary ion bombardment for Secondary Ion Mass Spectrometry (SIMS) experiments. In both cases, energy used for desorption/ionization is locally deposited -some tens of microns for the laser and some hundreds of nanometers for the ion beam- meaning that small areas over the surface sample can be separately analyzed. Step by step analysis allows spectrum acquisitions over the tissue sections and the data are treated by modern informatics software in order to create ion density maps, i.e., the intensity plot of one specific ion versus the (x,y) position. Main advantages of SIMS and MALDI compared to other chemical imaging techniques lie in the simultaneous acquisition of a large number of biological compounds in mixture with an excellent sensitivity obtained by Time-of-Flight (ToF) mass analyzer. Moreover, data treatment is done a posteriori, due to the fact that no compound is selectively marked, and let us access to the localization of different lipid classes in only one complete acquisition. Copyright © 2010

ToF-SIMS measurements with topographic information in combined images.

Science.gov (United States)

Koch, Sabrina; Ziegler, Georg; Hutter, Herbert

2013-09-01

In 2D and 3D time-of-flight secondary ion mass spectrometric (ToF-SIMS) analysis, accentuated structures on the sample surface induce distorted element distributions in the measurement. The origin of this effect is the 45° incidence angle of the analysis beam, recording planar images with distortion of the sample surface. For the generation of correct element distributions, these artifacts associated with the sample surface need to be eliminated by measuring the sample surface topography and applying suitable algorithms. For this purpose, the next generation of ToF-SIMS instruments will feature a scanning probe microscope directly implemented in the sample chamber which allows the performance of topography measurements in situ. This work presents the combination of 2D and 3D ToF-SIMS analysis with topographic measurements by ex situ techniques such as atomic force microscopy (AFM), confocal microscopy (CM), and digital holographic microscopy (DHM). The concept of the combination of topographic and ToF-SIMS measurements in a single representation was applied to organic and inorganic samples featuring surface structures in the nanometer and micrometer ranges. The correct representation of planar and distorted ToF-SIMS images was achieved by the combination of topographic data with images of 2D as well as 3D ToF-SIMS measurements, using either AFM, CM, or DHM for the recording of topographic data.

Stone-age mass spectrometry: the beginnings of "SIMS" at RCA Laboratories, Princeton

Science.gov (United States)

Honig, Richard E.

1995-05-01

This paper takes you back almost half a century, to the time when mass spectrometry was young and exciting, and research was exploring new frontiers every day. Our early experiments called "sputtering of surfaces by positive ion beams", now known as "SIMS", were carried out with the simple, yet flexible instrumentation available at that time and produced many interesting results that are still valid today. Since commercial equipment did not exist in those days, just about everything had to be designed and constructed in-house - hardware as well as circuitry. Thus progress was slow, but occasional malfunctioning of a component could be readily rectified. It is gratifying to see how SIMS has developed in the interim from our early feasibility studies into a major research effort carried out worldwide in many laboratories.

Scanner image methodology (SIM) to measure dimensions of leaves ...

African Journals Online (AJOL)

A scanner image methodology was used to determine plant dimensions, such as leaf area, length and width. The values obtained using SIM were compared with those recorded by the LI-COR leaf area meter. Bias, linearity, reproducibility and repeatability (R&R) were evaluated for SIM. Different groups of leaves were ...

Quantitative determination of uranium by SIMS

International Nuclear Information System (INIS)

Kuruc, J.; Harvan, D.; Galanda, D.; Matel, L.; Aranyosiova, M.; Velic, D.

2008-01-01

The paper presents results of quantitative measurements of uranium-238 by secondary ion mass spectrometry (SIMS) with using alpha spectrometry as well as complementary technique. Samples with specific activity of uranium-238 were prepared by electrodeposition from aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O. We tried to apply SIMS to quantitative analysis and search for correlation between intensity obtained from SIMS and activity of uranium-238 in dependence on the surface's weight and possibility of using SIMS in quantitative analysis of environmental samples. The obtained results and correlations as well as results of two real samples measurements are presented in this paper. (authors)

Sample Preparation of Corn Seed Tissue to Prevent Analyte Relocations for Mass Spectrometry Imaging

Science.gov (United States)

Kim, Shin Hye; Kim, Jeongkwon; Lee, Young Jin; Lee, Tae Geol; Yoon, Sohee

2017-08-01

Corn seed tissue sections were prepared by the tape support method using an adhesive tape, and mass spectrometry imaging (MSI) was performed. The effect of heat generated during sample preparation was investigated by time-of-flight secondary mass spectrometry (TOF-SIMS) imaging of corn seed tissue prepared by the tape support and the thaw-mounted methods. Unlike thaw-mounted sample preparation, the tape support method does not cause imaging distortion because of the absence of heat, which can cause migration of the analytes on the sample. By applying the tape-support method, the corn seed tissue was prepared without structural damage and MSI with accurate spatial information of analytes was successfully performed.

Sample Preparation of Corn Seed Tissue to Prevent Analyte Relocations for Mass Spectrometry Imaging.

Science.gov (United States)

Kim, Shin Hye; Kim, Jeongkwon; Lee, Young Jin; Lee, Tae Geol; Yoon, Sohee

2017-08-01

Corn seed tissue sections were prepared by the tape support method using an adhesive tape, and mass spectrometry imaging (MSI) was performed. The effect of heat generated during sample preparation was investigated by time-of-flight secondary mass spectrometry (TOF-SIMS) imaging of corn seed tissue prepared by the tape support and the thaw-mounted methods. Unlike thaw-mounted sample preparation, the tape support method does not cause imaging distortion because of the absence of heat, which can cause migration of the analytes on the sample. By applying the tape-support method, the corn seed tissue was prepared without structural damage and MSI with accurate spatial information of analytes was successfully performed. Graphical Abstract ᅟ.

Quantitative imaging of subcellular metabolism with stable isotopes and multi-isotope imaging mass spectrometry

Science.gov (United States)

Steinhauser, Matthew L.; Lechene, Claude P.

2014-01-01

Multi-isotope imaging mass spectrometry (MIMS) is the quantitative imaging of stable isotope labels in cells with a new type of secondary ion mass spectrometer (NanoSIMS). The power of the methodology is attributable to (i) the immense advantage of using non-toxic stable isotope labels, (ii) high resolution imaging that approaches the resolution of usual transmission electron microscopy and (iii) the precise quantification of label down to 1 part-per-million and spanning several orders of magnitude. Here we review the basic elements of MIMS and describe new applications of MIMS to the quantitative study of metabolic processes including protein and nucleic acid synthesis in model organisms ranging from microbes to humans. PMID:23660233

Development of a TOF SIMS setup at the Zagreb heavy ion microbeam facility

Science.gov (United States)

Tadić, Tonči; Bogdanović Radović, Iva; Siketić, Zdravko; Cosic, Donny Domagoj; Skukan, Natko; Jakšić, Milko; Matsuo, Jiro

2014-08-01

We describe a new Time-of-flight Secondary Ion Mass Spectrometry (TOF SIMS) setup for MeV SIMS application, which is constructed and installed at the heavy ion microbeam facility at the Ruđer Bošković Institute in Zagreb. The TOF-SIMS setup is developed for high sensitivity molecular imaging using a heavy ion microbeam that focuses ion beams (from C to I) with sub-micron resolution. Dedicated pulse processing electronics for MeV SIMS application have been developed, enabling microbeam-scanning control, incoming ion microbeam pulsing and molecular mapping. The first results showing measured MeV SIMS spectra as well as molecular maps for samples of interest are presented and discussed.

Development of a TOF SIMS setup at the Zagreb heavy ion microbeam facility

International Nuclear Information System (INIS)

Tadić, Tonči; Bogdanović Radović, Iva; Siketić, Zdravko; Cosic, Donny Domagoj; Skukan, Natko; Jakšić, Milko; Matsuo, Jiro

2014-01-01

We describe a new Time-of-flight Secondary Ion Mass Spectrometry (TOF SIMS) setup for MeV SIMS application, which is constructed and installed at the heavy ion microbeam facility at the Ruđer Bošković Institute in Zagreb. The TOF-SIMS setup is developed for high sensitivity molecular imaging using a heavy ion microbeam that focuses ion beams (from C to I) with sub-micron resolution. Dedicated pulse processing electronics for MeV SIMS application have been developed, enabling microbeam-scanning control, incoming ion microbeam pulsing and molecular mapping. The first results showing measured MeV SIMS spectra as well as molecular maps for samples of interest are presented and discussed

Ultra-structural cell distribution of the melanoma marker iodobenzamide: improved potentiality of SIMS imaging in life sciences

Directory of Open Access Journals (Sweden)

Papon Janine

2004-04-01

Full Text Available Abstract Background Analytical imaging by secondary ion mass spectrometry (SIMS provides images representative of the distribution of a specific ion within a sample surface. For the last fifteen years, concerted collaborative research to design a new ion microprobe with high technical standards in both mass and lateral resolution as well as in sensitivity has led to the CAMECA NanoSims 50, recently introduced onto the market. This instrument has decisive capabilities, which allow biological applications of SIMS microscopy at a level previously inaccessible. Its potential is illustrated here by the demonstration of the specific affinity of a melanoma marker for melanin. This finding is of great importance for the diagnosis and/or treatment of malignant melanoma, a tumour whose worldwide incidence is continuously growing. Methods The characteristics of the instrument are briefly described and an example of application is given. This example deals with the intracellular localization of an iodo-benzamide used as a diagnostic tool for the scintigraphic detection of melanic cells (e.g. metastasis of malignant melanoma. B16 melanoma cells were injected intravenously to C57BL6/J1/co mice. Multiple B16 melanoma colonies developed in the lungs of treated animals within three weeks. Iodobenzamide was injected intravenously in tumour bearing mice six hours before sacrifice. Small pieces of lung were prepared for SIMS analysis. Results Mouse lung B16 melanoma colonies were observed with high lateral resolution. Cyanide ions gave "histological" images of the cell, representative of the distribution of C and N containing molecules (e.g. proteins, nucleic acids, melanin, etc. while phosphorus ions are mainly produced by nucleic acids. Iodine was detected only in melanosomes, confirming the specific affinity of the drug for melanin. No drug was found in normal lung tissue. Conclusion This study demonstrates the potential of SIMS microscopy, which allows the

Lipid imaging by mass spectrometry - a review.

Science.gov (United States)

Gode, David; Volmer, Dietrich A

2013-03-07

Mass spectrometry imaging (MSI) has proven to be extremely useful for applications such as the spatial analysis of peptides and proteins in biological tissue, the performance assessment of drugs in vivo or the measurement of protein or metabolite expression as tissue classifiers or biomarkers from disease versus control tissue comparisons. The most popular MSI technique is MALDI mass spectrometry. First invented by Richard Caprioli in the mid-1990s, it is the highest performing MSI technique in terms of spatial resolution, sensitivity for intact biomolecules and application range today. The unique ability to identify and spatially resolve numerous compounds simultaneously, based on m/z values has inter alia been applied to untargeted and targeted chemical mapping of biological compartments, revealing changes of physiological states, disease pathologies and metabolic faith and distribution of xenobiotics. Many MSI applications focus on lipid species because of the lipids' diverse roles as structural components of cell membranes, their function in the surfactant cycle, and their involvement as second messengers in signalling cascades of tissues and cells. This article gives a comprehensive overview of lipid imaging techniques and applications using established MALDI and SIMS methods but also other promising MSI techniques such as DESI.

Cluster ion formation during sputtering processes: a complementary investigation by ToF-SIMS and plasma ion mass spectrometry

International Nuclear Information System (INIS)

Welzel, T; Ellmer, K; Mändl, S

2014-01-01

Plasma ion mass spectrometry using a plasma process monitor (PPM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) have been complementarily employed to investigate the sputtering and ion formation processes of Al-doped zinc oxide. By comparing the mass spectra, insights on ion formation and relative cross-sections have been obtained: positive ions as measured during magnetron sputtering by PPM are originating from the plasma while those in SIMS start at the surface leading to large differences in the mass spectra. In contrast, negative ions originating at the surface will be accelerated through the plasma sheath. They arrive at the PPM after traversing the plasma nearly collisionless as seen from the rather similar spectra. Hence, it is possible to combine the high mass resolution of ToF-SIMS to obtain insight for separating cluster ions, e.g. Zn x and ZnO y , and the energy resolution of PPM to find fragmentation patterns for negative ions. While the ion formation processes during both experiments can be assumed to be similar, differences may arise due to the lower volume probed by SIMS. In the latter case, there is a chance of small target inhomogeneities being able to be enhanced and lower surface temperatures leading to less outgassing and, thus, retention of volatile compounds. (paper)

A novel ion imager for secondary ion mass spectrometry

International Nuclear Information System (INIS)

Matsumoto, Kazuya; Miyata, Kenji; Nakamura, Tsutomu

1993-01-01

This paper describes a new area detector for secondary ion mass spectrometry (SIMS) ion microscope, and its performance. The operational principle is based on detecting the change in potential of a floating photodiode caused by the ion-induced secondary-electron emission and the incoming ion itself. The experiments demonstrated that 10 1 -10 5 aluminum ions per pixel can be detected with good linear response. Moreover, relative ion sensitivities from hydrogen to lead were constant within a factor of 2. The performance of this area detector provides the potential for detection of kiloelectronvolt ion images with current ion microscopy

Time-of-flight secondary ion mass spectrometry (ToF-SIMS)-based analysis and imaging of polyethylene microplastics formation during sea surf simulation.

Science.gov (United States)

Jungnickel, H; Pund, R; Tentschert, J; Reichardt, P; Laux, P; Harbach, H; Luch, A

2016-09-01

Plastic particles smaller than 5mm, so called microplastics have the capability to accumulate in rivers, lakes and the marine environment and therefore have begun to be considered in eco-toxicology and human health risk assessment. Environmental microplastic contaminants may originate from consumer products like body wash, tooth pastes and cosmetic products, but also from degradation of plastic waste; they represent a potential but unpredictable threat to aquatic organisms and possibly also to humans. We investigated exemplarily for polyethylene (PE), the most abundant constituent of microplastic particles in the environment, whether such fragments could be produced from larger pellets (2mm×6mm). So far only few analytical methods exist to identify microplastic particles smaller than 10μm, especially no imaging mass spectrometry technique. We used at first time-of-flight secondary ion mass spectrometry (ToF-SIMS) for analysis and imaging of small PE-microplastic particles directly in the model system Ottawa sand during exposure to sea surf simulation. As a prerequisite, a method for identification of PE was established by identification of characteristic ions for PE out of an analysis of grinded polymer samples. The method was applied onto Ottawa sand in order to investigate the influence of simulated environmental conditions on particle transformation. A severe degradation of the primary PE pellet surface, associated with the transformation of larger particles into smaller ones already after 14days of sea surf simulation, was observed. Within the subsequent period of 14days to 1month of exposure the number of detected smallest-sized particles increased significantly (50%) while the second smallest fraction increased even further to 350%. Results were verified using artificially degraded PE pellets and Ottawa sand. Copyright © 2016 Elsevier B.V. All rights reserved.

Elemental imaging at the nanoscale: NanoSIMS and complementary techniques for element localisation in plants.

Science.gov (United States)

Moore, Katie L; Lombi, Enzo; Zhao, Fang-Jie; Grovenor, Chris R M

2012-04-01

The ability to locate and quantify elemental distributions in plants is crucial to understanding plant metabolisms, the mechanisms of uptake and transport of minerals and how plants cope with toxic elements or elemental deficiencies. High-resolution secondary ion mass spectrometry (SIMS) is emerging as an important technique for the analysis of biological material at the subcellular scale. This article reviews recent work using the CAMECA NanoSIMS to determine elemental distributions in plants. The NanoSIMS is able to map elemental distributions at high resolution, down to 50 nm, and can detect very low concentrations (milligrams per kilogram) for some elements. It is also capable of mapping almost all elements in the periodic table (from hydrogen to uranium) and can distinguish between stable isotopes, which allows the design of tracer experiments. In this review, particular focus is placed upon studying the same or similar specimens with both the NanoSIMS and a wide range of complementary techniques, showing how the advantages of each technique can be combined to provide a fuller data set to address complex scientific questions. Techniques covered include optical microscopy, synchrotron techniques, including X-ray fluorescence and X-ray absorption spectroscopy, transmission electron microscopy, electron probe microanalysis, particle-induced X-ray emission and inductively coupled plasma mass spectrometry. Some of the challenges associated with sample preparation of plant material for SIMS analysis, the artefacts and limitations of the technique and future trends are also discussed.

Application of secondary ion mass spectrometry (SIMS) to biological sample analysis

International Nuclear Information System (INIS)

Tamura, Hifumi

1990-01-01

Some major issues and problems related with the analysis of biological samples are discussed, focusing on demonstrated and possible solutions and the application of secondary ion mass spectrometry (SIMS) to investigation of the composition of biological samples. The effective use of secondary electrons in combination with negative ions is most practical for the analysis of biological samples. Regardless of whether positive or negative ions are used, the electric potential at the surface of a sample stays around a constant value because of the absense of the accumulation of electric charges at the surface, leading to almost complete avoidance of the charging of the biological sample. A soft tissue sample can suffer damage to the tissue or migration of atoms in removing water from the sample. Some processes including fixation and freeze drying are available to prevent this. The application of SIMS to biological analysis is still in the basic research stage and further studies will be required to develop practical methods. Possible areas of its application include medicine, pathology, toxicology, pharmacology, plant physiology and other areas related with marine life and marine contamination. (N.K.)

Development and validation of TOF-SIMS and CLSM imaging method for cytotoxicity study of ZnO nanoparticles in HaCaT cells.

Science.gov (United States)

Lee, Pei-Ling; Chen, Bo-Chia; Gollavelli, Ganesh; Shen, Sin-Yu; Yin, Yu-Sheng; Lei, Shiu-Ling; Jhang, Cian-Ling; Lee, Woan-Ruoh; Ling, Yong-Chien

2014-07-30

Zinc oxide nanoparticles (ZnO NPs) exhibit novel physiochemical properties and have found increasing use in sunscreen products and cosmetics. The potential toxicity is of increasing concern due to their close association with human skin. A time-of-flight secondary ion mass spectrometry (TOF-SIMS) and confocal laser scanning microscopy (CLSM) imaging method was developed and validated for rapid and sensitive cytotoxicity study of ZnO NPs using human skin equivalent HaCaT cells as a model system. Assorted material, chemical, and toxicological analysis methods were used to confirm their shape, size, crystalline structure, and aggregation properties as well as dissolution behavior and effect on HaCaT cell viability in the presence of various concentrations of ZnO NPs in aqueous media. Comparative and correlative analyses of aforementioned results with TOF-SIMS and CLSM imaging results exhibit reasonable and acceptable outcome. A marked drop in survival rate was observed with 50μg/ml ZnO NPs. The CLSM images reveal the absorption and localization of ZnO NPs in cytoplasm and nuclei. The TOF-SIMS images demonstrate elevated levels of intracellular ZnO concentration and associated Zn concentration-dependent (40)Ca/(39)K ratio, presumably caused by the dissolution behavior of ZnO NPs. Additional validation by using stable isotope-labeled (68)ZnO NPs as tracers under the same experimental conditions yields similar cytotoxicity effect. The imaging results demonstrate spatially-resolved cytotoxicity relationship between intracellular ZnO NPs, (40)Ca/(39)K ratio, phosphocholine fragments, and glutathione fragments. The trend of change in TOF-SIMS spectra and images of ZnO NPs treated HaCaT cells demonstrate the possible mode of actions by ZnO NP involves cell membrane disruption, cytotoxic response, and ROS mediated apoptosis. Copyright © 2014 Elsevier B.V. All rights reserved.

ToF-SIMS imaging of capsaicinoids in Scotch Bonnet peppers (Capsicum chinense).

Science.gov (United States)

Tyler, Bonnie J; Peterson, Richard E; Lee, Therese G; Draude, Felix; Pelster, Andreas; Arlinghaus, Heinrich F

2016-06-13

Peppers (Capsicum spp.) are well known for their ability to cause an intense burning sensation when eaten. This organoleptic response is triggered by capsaicin and its analogs, collectively called capsaicinoids. In addition to the global popularity of peppers as a spice, there is a growing interest in the use of capsaicinoids to treat a variety of human ailments, including arthritis, chronic pain, digestive problems, and cancer. The cellular localization of capsaicinoid biosynthesis and accumulation has previously been studied by fluorescence microscopy and electron microscopy, both of which require immunostaining. In this work, ToF-SIMS has been used to image the distribution of capsaicinoids in the interlocular septum and placenta of Capsicum chinense (Scotch Bonnet peppers). A unique cryo-ToF-SIMS instrument has been used to prepare and analyze the samples with minimal sample preparation. Samples were frozen in liquid propane, cryosectioned in vacuum, and analyzed without exposure to ambient pressure. ToF-SIMS imaging was performed at -110 °C using a Bi3 (+) primary ion beam. Molecular ions for capsaicin and four other capsaicinoids were identified in both the positive and negative ToF-SIMS spectra. The capsaicinoids were observed concentrated in pockets between the outer walls of the palisade cells and the cuticle of the septum, as well as in the intercellular spaces in both the placenta and interlocular septum. This is the first report of label-free direct imaging of capsaicinoids at the cellular level in Capsicum spp. These images were obtained without the need for labeling or elaborate sample preparation. The study demonstrates the usefulness of ToF-SIMS imaging for studying the distribution of important metabolites in plant tissues.

Detection and distribution of lithium in Mg-Li-Al based alloy by ToF-SIMS

Energy Technology Data Exchange (ETDEWEB)

Kumar, Vinod, E-mail: vkt.meta@mnit.ac.in [Metallurgical and Materials Engineering, MNIT Jaipur, 302017 (India); Adjunct Faculty, Materials Research Centre, MNIT Jaipur, 302017 (India)

2016-12-01

Highlights: • First time, Time of Flight-Secondary Ion Mass Spectrometry (ToF-SIMS) is used to investigate the surface as well as bulk microstructural features of novel Mg-Li-Al based alloy. • There are six multi-oxide layers present within the surface film of LATZ9531R. • Secondary ion imaging by ToF-SIMS with mass contrast effect (including Li) is possible for a multiphase lithium-containing alloy systems. - Abstract: Time of Flight-Secondary Ion Mass Spectrometry (ToF-SIMS) is used to investigate the surface as well as bulk microstructural features of novel Mg-Li-Al based alloy namely Mg-9Li-7Al-3Sn-1Zn (LATZ9531). ToF-SIMS study indicates that there are six multi-oxide layers present within the surface film of LATZ9531. Furthermore, The presence of Li containing phase has been qualitatively confirmed based on the high number of Li-ion counts in SIMS, and the same is verified quantitatively by using electron probe microanalysis (EPMA). The novel approach may be useful to determine the chemical composition of the phases in various alloys which has lighter alloying elements such as lithium.

Look@NanoSIMS--a tool for the analysis of nanoSIMS data in environmental microbiology.

Science.gov (United States)

Polerecky, Lubos; Adam, Birgit; Milucka, Jana; Musat, Niculina; Vagner, Tomas; Kuypers, Marcel M M

2012-04-01

We describe an open-source freeware programme for high throughput analysis of nanoSIMS (nanometre-scale secondary ion mass spectrometry) data. The programme implements basic data processing and analytical functions, including display and drift-corrected accumulation of scanned planes, interactive and semi-automated definition of regions of interest (ROIs), and export of the ROIs' elemental and isotopic composition in graphical and text-based formats. Additionally, the programme offers new functions that were custom-designed to address the needs of environmental microbiologists. Specifically, it allows manual and automated classification of ROIs based on the information that is derived either from the nanoSIMS dataset itself (e.g. from labelling achieved by halogen in situ hybridization) or is provided externally (e.g. as a fluorescence in situ hybridization image). Moreover, by implementing post-processing routines coupled to built-in statistical tools, the programme allows rapid synthesis and comparative analysis of results from many different datasets. After validation of the programme, we illustrate how these new processing and analytical functions increase flexibility, efficiency and depth of the nanoSIMS data analysis. Through its custom-made and open-source design, the programme provides an efficient, reliable and easily expandable tool that can help a growing community of environmental microbiologists and researchers from other disciplines process and analyse their nanoSIMS data. © 2012 Society for Applied Microbiology and Blackwell Publishing Ltd.

Sample processing, protocol, and statistical analysis of the time-of-flight secondary ion mass spectrometry (ToF-SIMS) of protein, cell, and tissue samples.

Science.gov (United States)

Barreto, Goncalo; Soininen, Antti; Sillat, Tarvo; Konttinen, Yrjö T; Kaivosoja, Emilia

2014-01-01

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is increasingly being used in analysis of biological samples. For example, it has been applied to distinguish healthy and osteoarthritic human cartilage. This chapter discusses ToF-SIMS principle and instrumentation including the three modes of analysis in ToF-SIMS. ToF-SIMS sets certain requirements for the samples to be analyzed; for example, the samples have to be vacuum compatible. Accordingly, sample processing steps for different biological samples, i.e., proteins, cells, frozen and paraffin-embedded tissues and extracellular matrix for the ToF-SIMS are presented. Multivariate analysis of the ToF-SIMS data and the necessary data preprocessing steps (peak selection, data normalization, mean-centering, and scaling and transformation) are discussed in this chapter.

Analysis of multi-wall carbon nanotube based porous Li battery electrodes’ using TOF-SIMS ion imaging

International Nuclear Information System (INIS)

Karar, N.; Singh, B.P.; Elizabeth, Indu

2015-01-01

Highlights: • Usage of MWCNT material for Li battery electrode. • LiPF 6 as electrolyte material. • Charging and discharging cycles of the battery and their effect on the electrode and electrolyte material. • TOF-SIMS ion imaging based analysis of the effects of the charging discharging cycles on the materials. • Effects of multi-atomic molecules. - Abstract: Li ion batteries and its accessories are now under increased focus of research due to enhanced energy storage and recycling requirements and the need for clean environments. In this context, observations on Li battery electrodes prepared using multi-wall carbon nanotubes (MWCNT) coated on stainless steel as observed by time of flight secondary ion mass spectrometry (TOF-SIMS) analysis and their relevance in understanding and improving the electrochemical properties of such battery systems are discussed. Porosity issues due to MWCNT, and accumulation of chemical residues with operational cycles were observed, their possible causes were also analyzed and discussed. Issues on change in electrode performance due to usage of tin oxide coatings on the MWCNT were also compared and analyzed

TOF-SIMS Analysis of Red Color Inks of Writing and Printing Tools on Questioned Documents.

Science.gov (United States)

Lee, Jihye; Nam, Yun Sik; Min, Jisook; Lee, Kang-Bong; Lee, Yeonhee

2016-05-01

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) is a well-established surface technique that provides both elemental and molecular information from several monolayers of a sample surface while also allowing depth profiling or image mapping to be performed. Static TOF-SIMS with improved performances has expanded the application of TOF-SIMS to the study of a variety of organic, polymeric, biological, archaeological, and forensic materials. In forensic investigation, the use of a minimal sample for the analysis is preferable. Although the TOF-SIMS technique is destructive, the probing beams have microsized diameters so that only small portion of the questioned sample is necessary for the analysis, leaving the rest available for other analyses. In this study, TOF-SIMS and attenuated total reflectance Fourier transform infrared (ATR-FTIR) were applied to the analysis of several different pen inks, red sealing inks, and printed patterns on paper. The overlapping areas of ballpoint pen writing, red seal stamping, and laser printing in a document were investigated to identify the sequence of recording. The sequence relations for various cases were determined from the TOF-SIMS mapping image and the depth profile. TOF-SIMS images were also used to investigate numbers or characters altered with two different red pens. TOF-SIMS was successfully used to determine the sequence of intersecting lines and the forged numbers on the paper. © 2016 American Academy of Forensic Sciences.

Temperature-controlled depth profiling in polymeric materials using cluster secondary ion mass spectrometry (SIMS)

Energy Technology Data Exchange (ETDEWEB)

Mahoney, Christine M. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States)]. E-mail: christine.mahoney@nist.gov; Fahey, Albert J. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Gillen, Greg [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Xu Chang [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States); Batteas, James D. [National Institute of Standards and Technology, 100 Bureau Drive, Mail Stop 8371, Gaithersburg, MD, 20899 (United States)

2006-07-30

Secondary ion mass spectrometry (SIMS) employing an SF{sub 5} {sup +} polyatomic primary ion source was used to depth profile through poly(methylmethacrylate) (PMMA), poly(lactic acid) (PLA) and polystyrene (PS) thin films at a series of temperatures from -125 deg. C to 150 deg. C. It was found that for PMMA, reduced temperature analysis produced depth profiles with increased secondary ion stability and reduced interfacial widths as compared to analysis at ambient temperature. Atomic force microscopy (AFM) images indicated that this improvement in interfacial width may be related to a decrease in sputter-induced topography. Depth profiling at higher temperatures was typically correlated with increased sputter rates. However, the improvements in interfacial widths and overall secondary ion stability were not as prevalent as was observed at low temperature. For PLA, improvements in signal intensities were observed at low temperatures, yet there was no significant change in secondary ion stability, interface widths or sputter rates. High temperatures yielded a significant decrease in secondary ion stability of the resulting profiles. PS films showed rapid degradation of characteristic secondary ion signals under all temperatures examined.

Quantization of secondary ion mass spectrometry (SIMS) data using external and internal standards

International Nuclear Information System (INIS)

Gnaser, H.

1983-01-01

Some aspects of multi-dimensional characterization of solids by secondary ion mass spectrometry (SIMS) are given. A theoretical part discusses methods for the quantization of SIMS data and the most prominent effects of ion-solid interactions as related to SIMS. After a description of the instrument used for experiments (a quadrupole-equipped ion microprobe featuring a liquid metal ion source in addition to the standard duoplasmatron gas ion source) the first experimental section is devoted to the determination of practical sensitivities and relative sensitivity factors for selected pure elements, binary and treary alloys and multicomponent systems. For 23 pure elements practical sensitivities under O + 2 bombardment also have been compared to those under In + -bombardment; it was shown that on oxygen saturated surfaces yields under In + -bombardment are higher, this making feasible use of submicron In-beams for surface analysis. In the second experimental section boron implants in silicon have been used for studying depth profiling capabilities of the instrument. Sputtering yields of Si and degrees of ionization of both B and Si have been measured. It has been shown that implantation profiles may deviate considerably from Gaussian but can be described by means of mathematical distribution functions. In the third experimental section depth resolution of the erosion process has been studied by profiling a Ni/Cr multilayer sample (100 A single layer) and been found to be approximately constant over the depth range investigated. Quantization of depth profiles, usually distorted by matrix effects, has been attempted using the primary beam species (In) as internal implantation standard. Some problems in connection with the conversion of secondary ion micrographs to concentration maps are discussed. Elemental detection limits in multidimensional SIMS analysis are given in dependence of primary beam size and total eroded depth. (Author)

TOF-SIMS characterization of planktonic foraminifera

International Nuclear Information System (INIS)

Vering, G.; Crone, C.; Bijma, J.; Arlinghaus, H.F.

2003-01-01

Oceanic sediment properties that are closely related to former environmental (e.g. climatic) parameters are called 'proxies'. Planktonic foraminifera are small protists which make up part of the plankton. Certain element concentrations, element ratios and isotopic ratios of their calcite shell found in the sediment can be used as proxies reflecting the state of the ocean during the life of the animal; they supply useful information for the reconstruction of environmental parameters. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) was used to examine the inner and outer part of foraminiferal shells, as well as foraminiferal shells dissolved in HCl. High resolution elemental images and mass spectra were obtained from the foraminifera. The data show that TOF-SIMS is a useful technique for determining the elemental distribution and for measuring isotope ratios such as δ 11 B with high precision in a single foraminiferal shell

TOF-SIMS characterization of planktonic foraminifera

Energy Technology Data Exchange (ETDEWEB)

Vering, G.; Crone, C.; Bijma, J.; Arlinghaus, H.F

2003-01-15

Oceanic sediment properties that are closely related to former environmental (e.g. climatic) parameters are called 'proxies'. Planktonic foraminifera are small protists which make up part of the plankton. Certain element concentrations, element ratios and isotopic ratios of their calcite shell found in the sediment can be used as proxies reflecting the state of the ocean during the life of the animal; they supply useful information for the reconstruction of environmental parameters. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) was used to examine the inner and outer part of foraminiferal shells, as well as foraminiferal shells dissolved in HCl. High resolution elemental images and mass spectra were obtained from the foraminifera. The data show that TOF-SIMS is a useful technique for determining the elemental distribution and for measuring isotope ratios such as {delta}{sup 11}B with high precision in a single foraminiferal shell.

Time‐of‐flight secondary ion mass spectrometry imaging of biological samples with delayed extraction for high mass and high spatial resolutions

Science.gov (United States)

Vanbellingen, Quentin P.; Elie, Nicolas; Eller, Michael J.; Della‐Negra, Serge; Touboul, David

2015-01-01

Rationale In Time‐of‐Flight Secondary Ion Mass Spectrometry (TOF‐SIMS), pulsed and focused primary ion beams enable mass spectrometry imaging, a method which is particularly useful to map various small molecules such as lipids at the surface of biological samples. When using TOF‐SIMS instruments, the focusing modes of the primary ion beam delivered by liquid metal ion guns can provide either a mass resolution of several thousand or a sub‐µm lateral resolution, but the combination of both is generally not possible. Methods With a TOF‐SIMS setup, a delayed extraction applied to secondary ions has been studied extensively on rat cerebellum sections in order to compensate for the effect of long primary ion bunches. Results The use of a delayed extraction has been proven to be an efficient solution leading to unique features, i.e. a mass resolution up to 10000 at m/z 385.4 combined with a lateral resolution of about 400 nm. Simulations of ion trajectories confirm the experimental determination of optimal delayed extraction and allow understanding of the behavior of ions as a function of their mass‐to‐charge ratio. Conclusions Although the use of a delayed extraction has been well known for many years and is very popular in MALDI, it is much less used in TOF‐SIMS. Its full characterization now enables secondary ion images to be recorded in a single run with a submicron spatial resolution and with a mass resolution of several thousand. This improvement is very useful when analyzing lipids on tissue sections, or rare, precious, or very small size samples. © 2015 The Authors. Rapid Communications in Mass Spectrometry published by John Wiley & Sons Ltd. PMID:26395603

ImaSim, a software tool for basic education of medical x-ray imaging in radiotherapy and radiology

Science.gov (United States)

Landry, Guillaume; deBlois, François; Verhaegen, Frank

2013-11-01

Introduction: X-ray imaging is an important part of medicine and plays a crucial role in radiotherapy. Education in this field is mostly limited to textbook teaching due to equipment restrictions. A novel simulation tool, ImaSim, for teaching the fundamentals of the x-ray imaging process based on ray-tracing is presented in this work. ImaSim is used interactively via a graphical user interface (GUI). Materials and methods: The software package covers the main x-ray based medical modalities: planar kilo voltage (kV), planar (portal) mega voltage (MV), fan beam computed tomography (CT) and cone beam CT (CBCT) imaging. The user can modify the photon source, object to be imaged and imaging setup with three-dimensional editors. Objects are currently obtained by combining blocks with variable shapes. The imaging of three-dimensional voxelized geometries is currently not implemented, but can be added in a later release. The program follows a ray-tracing approach, ignoring photon scatter in its current implementation. Simulations of a phantom CT scan were generated in ImaSim and were compared to measured data in terms of CT number accuracy. Spatial variations in the photon fluence and mean energy from an x-ray tube caused by the heel effect were estimated from ImaSim and Monte Carlo simulations and compared. Results: In this paper we describe ImaSim and provide two examples of its capabilities. CT numbers were found to agree within 36 Hounsfield Units (HU) for bone, which corresponds to a 2% attenuation coefficient difference. ImaSim reproduced the heel effect reasonably well when compared to Monte Carlo simulations. Discussion: An x-ray imaging simulation tool is made available for teaching and research purposes. ImaSim provides a means to facilitate the teaching of medical x-ray imaging.

Development and validation of TOF-SIMS and CLSM imaging method for cytotoxicity study of ZnO nanoparticles in HaCaT cells

Energy Technology Data Exchange (ETDEWEB)

Lee, Pei-Ling; Chen, Bo-Chia; Gollavelli, Ganesh [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Shen, Sin-Yu [Graduate Institute of Medical Science, Taipei Medical University, Taipei 11031, Taiwan (China); Yin, Yu-Sheng; Lei, Shiu-Ling [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Jhang, Cian-Ling; Lee, Woan-Ruoh [Department of Dermatology, Taipei Medical University, Taipei 11031, Taiwan (China); Ling, Yong-Chien, E-mail: ycling@mx.nthu.edu.tw [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Graduate Institute of Medical Science, Taipei Medical University, Taipei 11031, Taiwan (China)

2014-07-30

Highlights: • Assorted material, chemical, and toxicological analysis methods were used to confirm the shape, size, crystalline structure, and aggregation properties of ZnO NPS as well as their dissolution behavior and effect on HaCaT cell viability. • The developed TOF-SIMS and CLSM imaging method for rapid and sensitive study of ZnO NPs in HaCaT cells was validated by comparative and correlative analyses to aforementioned experimental results. • The imaging results demonstrate spatially-resolved cytotoxicity relationship between intracellular ZnO NPs concentration, {sup 40}Ca/{sup 39}K ratio, phosphocholine fragments, and glutathione fragments. CLSM images reveal the localization of ZnO NPs in cytoplasm and nuclei. • The trend of change in TOF-SIMS spectra and images of ZnO NPs treated HaCaT cells demonstrate the possible mode of actions by ZnO NP involves cell membrane disruption, cytotoxic response, and ROS mediated apoptosis. - Abstract: Zinc oxide nanoparticles (ZnO NPs) exhibit novel physiochemical properties and have found increasing use in sunscreen products and cosmetics. The potential toxicity is of increasing concern due to their close association with human skin. A time-of-flight secondary ion mass spectrometry (TOF-SIMS) and confocal laser scanning microscopy (CLSM) imaging method was developed and validated for rapid and sensitive cytotoxicity study of ZnO NPs using human skin equivalent HaCaT cells as a model system. Assorted material, chemical, and toxicological analysis methods were used to confirm their shape, size, crystalline structure, and aggregation properties as well as dissolution behavior and effect on HaCaT cell viability in the presence of various concentrations of ZnO NPs in aqueous media. Comparative and correlative analyses of aforementioned results with TOF-SIMS and CLSM imaging results exhibit reasonable and acceptable outcome. A marked drop in survival rate was observed with 50 μg/ml ZnO NPs. The CLSM images reveal the

Quantitative analysis of supported membrane composition using the NanoSIMS

Energy Technology Data Exchange (ETDEWEB)

Kraft, M L; Fishel, S F; Marxer, C G; Weber, P K; Hutcheon, I D; Boxer, S G

2009-06-02

We have improved methods reported earlier [1] for sample preparation, imaging and quantifying components in supported lipid bilayers using high-resolution secondary ion mass spectrometry performed with the NanoSIMS 50. By selectively incorporating a unique stable isotope into each component of interest, a component-specific image is generated from the location and intensity of the unique secondary ion signals exclusively produced by each molecule. Homogeneous supported lipid bilayers that systematically varied in their isotopic enrichment levels were freeze-dried and analyzed with the NanoSIMS 50. The molecule-specific secondary ion signal intensities had an excellent linear correlation to the isotopically labeled lipid content. Statistically indistinguishable calibration curves were obtained using different sample sets analyzed months apart. Fluid bilayers can be patterned using lithographic methods and the composition of each corralled region varied systematically by simple microfluidic methods. The resulting composition variations can be imaged and quantified. This approach opens the possibility of imaging and quantifying the composition of microdomains within membranes, including protein components, without using bulky labels and with very high lateral resolution and sensitivity.

Sub-cellular localisation of a 15N-labelled peptide vector using NanoSIMS imaging

Science.gov (United States)

Römer, Winfried; Wu, Ting-Di; Duchambon, Patricia; Amessou, Mohamed; Carrez, Danièle; Johannes, Ludger; Guerquin-Kern, Jean-Luc

2006-07-01

Dynamic SIMS imaging is proposed to map sub-cellular distributions of isotopically labelled, exogenous compounds. NanoSIMS imaging allows the characterisation of the intracellular transport pathways of exogenous molecules, including peptide vectors employed in innovative therapies, using stable isotopes as molecular markers to detect the compound of interest. Shiga toxin B-subunit (STxB) was chosen as a representative peptide vector. The recombinant protein ( 15N-STxB) was synthesised in Escherichia coli using 15NH 4Cl as sole nitrogen source resulting in 15N enrichment in the molecule. Using the NanoSIMS 50 ion microprobe (Cameca), different ion species ( 12C 14N -, 12C 15N -, 31P -) originating from the same sputtered micro volume were simultaneously detected. High mass resolving power enabled the discrimination of 12C 15N - from its polyatomic isobars of mass 27. We imaged the membrane binding and internalisation of 15N-STxB in HeLa cells at spatial resolutions of less than 100 nm. Thus, the use of rare stable isotopes like 15N with dynamic SIMS imaging permits sub-cellular detection of isotopically labelled, exogenous molecules and imaging of their transport pathways at high mass and spatial resolution. Application of stable isotopes as markers can replace the large and chemically complex tags used for fluorescence microscopy, without altering the chemical and physical properties of the molecule.

Secondary ion mass spectrometry induced damage adjacent to analysis craters in silicon

International Nuclear Information System (INIS)

Clark, M.H.; Jones, K.S.; Stevie, F.A.

2002-01-01

Damage introduced by dynamic secondary ion mass spectrometry (SIMS) depth profiling is studied. A silicon sample with a boron marker layer was depth profiled by dynamic SIMS. After subsequent annealing at 750 deg. C for 30 min, the SIMS sample was reanalyzed by plan-view transmission electron microscope (PTEM) and SIMS. PTEM images showed the presence of interstitial defects near the original SIMS crater, and SIMS depth profiles of similar regions exhibited boron diffusivity enhancements. Excess interstitials were introduced into the Si surface up to 2 mm from the original 225 μmx225 μm crater. Both PTEM and SIMS results showed that the damage and its effects diminished with an increase in distance from the original crater

Animal urine as painting materials in African rock art revealed by cluster ToF-SIMS mass spectrometry imaging.

Science.gov (United States)

Mazel, Vincent; Richardin, Pascale; Touboul, David; Brunelle, Alain; Richard, Caroline; Laval, Eric; Walter, Philippe; Laprévote, Olivier

2010-08-01

The rock art site at the village of Songo in Mali is a very important Dogon ritual place where, since the end of the nineteenth century until today, takes place the ceremony of circumcision. During these ceremonies, paintings are performed on the walls of the shelter with mainly three colors: red, black and white. Ethnological literature mentions the use of animal urine of different species such as birds, lizards or snakes as a white pigment. Urine of these animals is mainly composed of uric acid or urate salts. In this article, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is used to compare uric acid, snake urine and a sample of a white pigment of a Dogon painting coming from the rock art site of Songo. ToF-SIMS measurements in both positive and negative ion modes on reference compounds and snake urine proved useful for the study of uric acid and urate salts. This method enables to identify unambiguously these compounds owing to the detection in negative ion mode of the ion corresponding to the deprotonated molecule ([M-H](-) at m/z 167.01) and its fragment ions. Moreover, the mass spectra obtained in positive ion mode permit to differentiate uric acid and urate salts on the basis of specific ions. Applying this method to the Dogon white pigments sample, we show that the sample is entirely composed of uric acid. This proves for the first time, that animal urine was used as a pigment by the Dogon. The presence of uric acid instead of urate salts as normally expected in animal urine could be explained by the preparation of the pigment for its application on the stone. Copyright 2010 John Wiley & Sons, Ltd.

Advances in Charge-Compensation in Secondary Ion Mass Spectrometry (SIMS)

Science.gov (United States)

Hervig, R. L.; Chen, J.; Schauer, S.; Stanley, B. D.; Moore, G. M.; Roggensack, K.

2012-12-01

In secondary ion mass spectrometry (SIMS), a sample is bombarded by a charged particle beam (the primary ion) and sputtered positive or negative secondary ions are analyzed in a mass spectrometer. When the target is not conducting (like many geological materials), sample charging can result in variable deflection of secondary ions away from the mass spectrometer and a low, unstable, or absent signal. Applying a thin conducting coat (e.g., C, Au) to polished samples is required, and if the primary ion beam is negatively-charged, the build-up of negative charge can be alleviated by secondary electrons draining to the conducting coat at the edge of the crater (if a positive potential is applied to the sample for the collection of positive secondary ions) or accelerated away from the crater (if a negative potential is applied for negative ion study). Unless the sputtered crater in the conducting coat becomes too large, sample charging can be kept at a controllable level, and high-quality trace element analyses and isotope ratios have been obtained using this technique over the past 3+ decades. When a positive primary beam is used, the resulting build-up of positive charge in the sample requires an electron gun to deliver sufficient negative charge to the sputtered crater. While there are many examples of successful analyses using this approach, the purpose of this presentation is to describe a very simple technique for aligning the electron gun on Cameca nf and 1270/80 SIMS instruments. This method allows reproducible analyses of insulating phases with a Cs+ primary beam and detection of negative secondary ions. Normally, the filament voltage on the E-gun is the same as the sample voltage; thus electrons do not strike the sample except when a positive charge has built up (e.g., in the analysis crater!). In this method, we decrease the sample voltage by 3 or more kV, so that the impact energy of the electrons is sufficient to induce a cathodoluminescent (CL) image on an

Imaging mass spectrometry statistical analysis.

Science.gov (United States)

Jones, Emrys A; Deininger, Sören-Oliver; Hogendoorn, Pancras C W; Deelder, André M; McDonnell, Liam A

2012-08-30

Imaging mass spectrometry is increasingly used to identify new candidate biomarkers. This clinical application of imaging mass spectrometry is highly multidisciplinary: expertise in mass spectrometry is necessary to acquire high quality data, histology is required to accurately label the origin of each pixel's mass spectrum, disease biology is necessary to understand the potential meaning of the imaging mass spectrometry results, and statistics to assess the confidence of any findings. Imaging mass spectrometry data analysis is further complicated because of the unique nature of the data (within the mass spectrometry field); several of the assumptions implicit in the analysis of LC-MS/profiling datasets are not applicable to imaging. The very large size of imaging datasets and the reporting of many data analysis routines, combined with inadequate training and accessible reviews, have exacerbated this problem. In this paper we provide an accessible review of the nature of imaging data and the different strategies by which the data may be analyzed. Particular attention is paid to the assumptions of the data analysis routines to ensure that the reader is apprised of their correct usage in imaging mass spectrometry research. Copyright © 2012 Elsevier B.V. All rights reserved.

3D ToF-SIMS Analysis of Peptide Incorporation into MALDI Matrix Crystals with Sub-micrometer Resolution.

Science.gov (United States)

Körsgen, Martin; Pelster, Andreas; Dreisewerd, Klaus; Arlinghaus, Heinrich F

2016-02-01

The analytical sensitivity in matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is largely affected by the specific analyte-matrix interaction, in particular by the possible incorporation of the analytes into crystalline MALDI matrices. Here we used time-of-flight secondary ion mass spectrometry (ToF-SIMS) to visualize the incorporation of three peptides with different hydrophobicities, bradykinin, Substance P, and vasopressin, into two classic MALDI matrices, 2,5-dihydroxybenzoic acid (DHB) and α-cyano-4-hydroxycinnamic acid (HCCA). For depth profiling, an Ar cluster ion beam was used to gradually sputter through the matrix crystals without causing significant degradation of matrix or biomolecules. A pulsed Bi3 ion cluster beam was used to image the lateral analyte distribution in the center of the sputter crater. Using this dual beam technique, the 3D distribution of the analytes and spatial segregation effects within the matrix crystals were imaged with sub-μm resolution. The technique could in the future enable matrix-enhanced (ME)-ToF-SIMS imaging of peptides in tissue slices at ultra-high resolution. Graphical Abstract ᅟ.

SIMS applications in biological research

International Nuclear Information System (INIS)

Prince, K.E.; Burke, P.T.; Kelly, I.J.

2000-01-01

Full text: SIMS has been utilised as a tool for biological research since the early 1970's. SIMS' abilities in isotopic detection with high sensitivity, imaging capabilities at a subcellular level, and the possibility of molecular imaging have been the main areas of interest for biological development. However, whilst hundreds of instruments are available in industrial and university laboratories for semiconductor and materials analysis, only a handful successfully perform biological research. For this reason there is generally a lack of awareness of SIMS by the biological community. Biological SIMS analysis requires a working knowledge of both biology and SIMS. Sample preparation is a critical and time consuming prerequisite for any successful biological SIMS study. In addition, for quantification to be possible a homogeneous, matrix matched standard must be available. Once these difficulties are more widely understood and overcome there will be a greater motivation for the biological community to embrace SIMS as a unique tool in their research. This paper provides an overview of some of the more successful biological SIMS application areas internationally, and summarises the types of biological SIMS requests received by ANSTO

Comparison between thaw-mounting and use of conductive tape for sample preparation in ToF-SIMS imaging of lipids in Drosophila microRNA-14 model.

Science.gov (United States)

Le, Minh Uyen Thi; Son, Jin Gyeong; Shon, Hyun Kyoung; Park, Jeong Hyang; Lee, Sung Bae; Lee, Tae Geol

2018-03-30

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging elucidates molecular distributions in tissue sections, providing useful information about the metabolic pathways linked to diseases. However, delocalization of the analytes and inadequate tissue adherence during sample preparation are among some of the unfortunate phenomena associated with this technique due to their role in the reduction of the quality, reliability, and spatial resolution of the ToF-SIMS images. For these reasons, ToF-SIMS imaging requires a more rigorous sample preparation method in order to preserve the natural state of the tissues. The traditional thaw-mounting method is particularly vulnerable to altered distributions of the analytes due to thermal effects, as well as to tissue shrinkage. In the present study, the authors made comparisons of different tissue mounting methods, including the thaw-mounting method. The authors used conductive tape as the tissue-mounting material on the substrate because it does not require heat from the finger for the tissue section to adhere to the substrate and can reduce charge accumulation during data acquisition. With the conductive-tape sampling method, they were able to acquire reproducible tissue sections and high-quality images without redistribution of the molecules. Also, the authors were successful in preserving the natural states and chemical distributions of the different components of fat metabolites such as diacylglycerol and fatty acids by using the tape-supported sampling in microRNA-14 (miR-14) deleted Drosophila models. The method highlighted here shows an improvement in the accuracy of mass spectrometric imaging of tissue samples.

Visualizing Microbial Biogeochemistry: NanoSIMS and Stable Isotope Probing (Invited)

Science.gov (United States)

Pett-Ridge, J.; Weber, P. K.

2009-12-01

Linking phylogenetic information to function in microbial communities is a key challenge for microbial ecology. Isotope-labeling experiments provide a useful means to investigate the ecophysiology of microbial populations and cells in the environment and allow measurement of nutrient transfers between cell types, symbionts and consortia. The combination of Nano-Secondary Ion Mass Spectrometry (NanoSIMS) analysis, in situ labeling and high resolution microscopy allows isotopic analysis to be linked to phylogeny and morphology and holds great promise for fine-scale studies of microbial systems. In NanoSIMS analysis, samples are sputtered with an energetic primary beam (Cs+, O-) liberating secondary ions that are separated by the mass spectrometer and detected in a suite of electron multipliers. Five isotopic species may be analyzed concurrently with spatial resolution as fine as 50nm. A high sensitivity isotope ratio ‘map’ can then be generated for the analyzed area. NanoSIMS images of 13C, 15N and Mo (a nitrogenase co-factor) localization in diazotrophic cyanobacteria show how cells differentially allocate resources within filaments and allow calculation of nutrient uptake rates on a cell by cell basis. Images of AM fungal hyphae-root and cyanobacteria-rhizobia associations indicate the mobilization and sharing (stealing?) of newly fixed C and N. In a related technique, “El-FISH”, stable isotope labeled biomass is probed with oligonucleotide-elemental labels and then imaged by NanoSIMS. In microbial consortia and cyanobacterial mats, this technique helps link microbial structure and function simultaneously even in systems with unknown and uncultivated microbes. Finally, the combination of re-engineered universal 16S oligonucleotide microarrays with NanoSIMS analyses may allow microbial identity to be linked to functional roles in complex systems such as mats and cellulose degrading hindgut communities. These newly developed methods provide correlated

Quantification and micron-scale imaging of spatial distribution of trace beryllium in shrapnel fragments and metallurgic samples with correlative fluorescence detection method and secondary ion mass spectrometry (SIMS)

Science.gov (United States)

Abraham, Jerrold L.; Chandra, Subhash; Agrawal, Anoop

2014-01-01

Recently, a report raised the possibility of shrapnel-induced chronic beryllium disease (CBD) from long-term exposure to the surface of retained aluminum shrapnel fragments in the body. Since the shrapnel fragments contained trace beryllium, methodological developments were needed for beryllium quantification and to study its spatial distribution in relation to other matrix elements, such as aluminum and iron, in metallurgic samples. In this work, we developed methodology for quantification of trace beryllium in samples of shrapnel fragments and other metallurgic sample-types with main matrix of aluminum (aluminum cans from soda, beer, carbonated water, and aluminum foil). Sample preparation procedures were developed for dissolving beryllium for its quantification with the fluorescence detection method for homogenized measurements. The spatial distribution of trace beryllium on the sample surface and in 3D was imaged with a dynamic secondary ion mass spectrometry (SIMS) instrument, CAMECA IMS 3f SIMS ion microscope. The beryllium content of shrapnel (~100 ppb) was the same as the trace quantities of beryllium found in aluminum cans. The beryllium content of aluminum foil (~25 ppb) was significantly lower than cans. SIMS imaging analysis revealed beryllium to be distributed in the form of low micron-sized particles and clusters distributed randomly in X-Y-and Z dimensions, and often in association with iron, in the main aluminum matrix of cans. These observations indicate a plausible formation of Be-Fe or Al-Be alloy in the matrix of cans. Further observations were made on fluids (carbonated water) for understanding if trace beryllium in cans leached out and contaminated the food product. A direct comparison of carbonated water in aluminum cans and plastic bottles revealed that beryllium was below the detection limits of the fluorescence detection method (~0.01 ppb). These observations indicate that beryllium present in aluminum matrix was either present in an

Segmentation of Multi-Isotope Imaging Mass Spectrometry Data for Semi-Automatic Detection of Regions of Interest

Science.gov (United States)

Poczatek, J. Collin; Turck, Christoph W.; Lechene, Claude

2012-01-01

Multi-isotope imaging mass spectrometry (MIMS) associates secondary ion mass spectrometry (SIMS) with detection of several atomic masses, the use of stable isotopes as labels, and affiliated quantitative image-analysis software. By associating image and measure, MIMS allows one to obtain quantitative information about biological processes in sub-cellular domains. MIMS can be applied to a wide range of biomedical problems, in particular metabolism and cell fate [1], [2], [3]. In order to obtain morphologically pertinent data from MIMS images, we have to define regions of interest (ROIs). ROIs are drawn by hand, a tedious and time-consuming process. We have developed and successfully applied a support vector machine (SVM) for segmentation of MIMS images that allows fast, semi-automatic boundary detection of regions of interests. Using the SVM, high-quality ROIs (as compared to an expert's manual delineation) were obtained for 2 types of images derived from unrelated data sets. This automation simplifies, accelerates and improves the post-processing analysis of MIMS images. This approach has been integrated into “Open MIMS,” an ImageJ-plugin for comprehensive analysis of MIMS images that is available online at http://www.nrims.hms.harvard.edu/NRIMS_ImageJ.php. PMID:22347386

Visualization of hydrogen in steels by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Takai, Kenichi

2000-01-01

Secondary ion mass spectrometry (SIMS) enables us to visualize hydrogen trapping sites in steels. Information about the hydrogen trapping sites in high-strength steels by SIMS is very important to discuss environmental embrittlement mechanism for developing steels with a high resistance to the environmental embrittlement. Secondary ion image analysis by SIMS has made possible to visualize the hydrogen and deuterium trapping sites in the steels. Hydrogen in tempered martensite steels containing Ca tends to accumulate on inclusions, at grain boundaries, and in segregation bands. Visualization of hydrogen desorption process by secondary ion image analysis confirms that the bonding between the inclusions and the hydrogen is strong. Cold-drawn pearlite steels trap hydrogen along cold-drawing direction. Pearlite phase absorbs the hydrogen more than ferrite phase does. This article introduces the principle of SIMS, its feature, analysis method, and results of hydrogen visualization in steels. (author)

Combined X-ray CT and mass spectrometry for biomedical imaging applications

Science.gov (United States)

Schioppa, E., Jr.; Ellis, S.; Bruinen, A. L.; Visser, J.; Heeren, R. M. A.; Uher, J.; Koffeman, E.

2014-04-01

Imaging technologies play a key role in many branches of science, especially in biology and medicine. They provide an invaluable insight into both internal structure and processes within a broad range of samples. There are many techniques that allow one to obtain images of an object. Different techniques are based on the analysis of a particular sample property by means of a dedicated imaging system, and as such, each imaging modality provides the researcher with different information. The use of multimodal imaging (imaging with several different techniques) can provide additional and complementary information that is not possible when employing a single imaging technique alone. In this study, we present for the first time a multi-modal imaging technique where X-ray computerized tomography (CT) is combined with mass spectrometry imaging (MSI). While X-ray CT provides 3-dimensional information regarding the internal structure of the sample based on X-ray absorption coefficients, MSI of thin sections acquired from the same sample allows the spatial distribution of many elements/molecules, each distinguished by its unique mass-to-charge ratio (m/z), to be determined within a single measurement and with a spatial resolution as low as 1 μm or even less. The aim of the work is to demonstrate how molecular information from MSI can be spatially correlated with 3D structural information acquired from X-ray CT. In these experiments, frozen samples are imaged in an X-ray CT setup using Medipix based detectors equipped with a CO2 cooled sample holder. Single projections are pre-processed before tomographic reconstruction using a signal-to-thickness calibration. In the second step, the object is sliced into thin sections (circa 20 μm) that are then imaged using both matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) and secondary ion (SIMS) mass spectrometry, where the spatial distribution of specific molecules within the sample is determined. The

Molecular imaging of enhanced Na + expression in the liver of total sleep deprived rats by TOF-SIMS

Science.gov (United States)

Chang, Hung-Ming; Chen, Bo-Jung; Wu, Un-In; Huang, Yi-Lun; Mai, Fu-Der

2008-12-01

Sleep disorder is associated with metabolic disturbances, which was related to oxidative stress and subsequently sodium overload. Since liver plays important roles in metabolic regulation, present study is aimed to determine whether hepatic sodium, together with oxidative stress, would significantly alter after total sleep deprivation (TSD). Sodium ion was investigated by time-of-flight secondary ion mass spectrometry (TOF-SIMS). Parameter for oxidative stress was examined by heat shock protein-25 (HSP-25) immunohistochemistry. TOF-SIMS spectrum indicated that hepatic Na +/K + ratio counting as 82.41 ± 9.5 was obtained in normal rats. Sodium ions were distributed in hepatocytes with several aggregations. However, following TSD, the intensity for Na +/K + ratio was relatively increased (101.94 ± 6.9) and signals for sodium image were strongly expressed throughout hepatocytes without spatial localization. Quantitative analysis revealed that HSP-25 staining intensity is 1.78 ± 0.27 in TSD rats, which was significantly higher than that of normal ones (0.68 ± 0.15). HSP-25 augmentation suggests that hepatocytes suffer from oxidative stress following TSD. Concerning oxidative stress induced sodium overload would impair metabolic function; enhanced hepatic sodium expression after TSD may be a major cause of TSD relevant metabolic diseases.

Functionality of novel black silicon based nanostructured surfaces studied by TOF SIMS

DEFF Research Database (Denmark)

Talian, Ivan; Aranyosiova, M.; Orinak, A.

2010-01-01

A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre-ionization e......A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre......-ionization effect in SIMS due to nanostructure type and the assistance of the noble metal surface coating (Ag or Au) for secondary ion formation. As a testing analyte a Rhodamine 6G was applied. Bi+ has been used as SIMS primary ions. It was found out that SIMS signal enhancement of the analyte significantly...... depends on Ag layer thickness and measured ion mode (negative, positive). The best SIMS signal enhancement was obtained at BS2 surface coated with 400 nm of Ag layer. SIMS fragmentation schemes were developed for a model analyte deposited onto a silver and gold surface. Significant differences in pre...

Biomarkers at the microscopic range : ToF-SIMS molecular imaging of Archaea-derived lipids in a microbial mat

NARCIS (Netherlands)

Thiel, V.; Heim, C.; Arp, G.; Hahmann, U.; Sjovall, P.; Lausmaa, J.

2007-01-01

Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) with a bismuth cluster primary ion source was used for analysing microbial lipid biomarkers in 10-mu m-thick microscopic cryosections of methanotrophic microbial mats from the Black Sea. Without further sample preparation, archaeal isopranyl

Microscope mode secondary ion mass spectrometry imaging with a Timepix detector.

NARCIS (Netherlands)

Kiss, A.; Jungmann, JH; Smith, D.F.; Heeren, R.M.A.

2013-01-01

In-vacuum active pixel detectors enable high sensitivity, highly parallel time- and space-resolved detection of ions from complex surfaces. For the first time, a Timepix detector assembly was combined with a secondary ion mass spectrometer for microscope mode secondary ion mass spectrometry (SIMS)

SIMS analysis: Development and evaluation 1994 summary report

International Nuclear Information System (INIS)

Groenewold, G.S.; Appelhans, A.D.; Ingram, J.C.; Delmore, J.E.; Dahl, D.A.

1994-12-01

Secondary ion mass spectrometry (SIMS) was evaluated for applicability to the characterization of salt cake and environmental samples. Salt cake is representative of waste found in radioactive waste storage tanks located at Hanford and at other DOE sites; it consists of nitrate, nitrite, hydroxide, and ferrocyanide salts, and the samples form the tanks are extremely radioactive. SIMS is an attractive technology for characterizing these samples because it has the capability for producing speciation information with little or no sample preparation, and it generates no additional waste. Experiments demonstrated that substantial speciation information could be readily generated using SIMS: metal clusters which include nitrate, nitrite, hydroxide, carbonate, cyanide, ferrocyanide and ferricyanide were observed. In addition, the mechanism of SIMS desorption of tributyl phosphate (TBP) was clearly identified, and minimum detection limit studies involving TBP were performed. Procurements leading to the construction of an ion trap SIMS instrument were initiated. Technology transfer of SIMS components to three instrument vendors was initiated. For FY-95, the SIMS evaluation program has been redirected toward identification of metal species on environmental samples

Test Sample for the Spatially Resolved Quantification of Illicit Drugs on Fingerprints Using Imaging Mass Spectrometry

NARCIS (Netherlands)

Muramoto, S.; Forbes, T.P.; van Asten, A.C.; Gillen, G.

2015-01-01

A novel test sample for the spatially resolved quantification of illicit drugs on the surface of a fingerprint using time-of-flight secondary ion mass spectrometry (ToF-SIMS) and desorption electrospray ionization mass spectrometry (DESI-MS) was demonstrated. Calibration curves relating the signal

Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) imaging of deuterium assisted cracking in a 2205 duplex stainless steel micro-structure

Energy Technology Data Exchange (ETDEWEB)

Sobol, Oded; Holzlechner, Gerald; Nolze, Gert; Wirth, Thomas [BAM – Federal Institute for Materials Research and Testing, Berlin (Germany); Eliezer, Dan [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer Sheva (Israel); Boellinghaus, Thomas, E-mail: thomas.boellinghaus@bam.de [BAM – Federal Institute for Materials Research and Testing, Berlin (Germany); Unger, Wolfgang E.S. [BAM – Federal Institute for Materials Research and Testing, Berlin (Germany)

2016-10-31

In the present work, the influence of deuterium on the microstructure of a duplex stainless steel type EN 1.4462 has been characterized by Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) supported by scanning electron microscopy (SEM), focused ion beam (FIB), electron back scattered diffraction (EBSD) and energy dispersive x-ray (EDX) investigations. Characterization has been carried out before and after electrochemical charging with deuterium which has been used as a tracer, due to its similar behavior to hydrogen in the steel microstructure. In a first approach, the distribution of the deuterium occurring at temperatures above −58 °C has been visualized. Further it turned out that sub-surface micro blisters are formed in the ferrite-austenite interface, followed by the formation of needle shaped plates and subsequent cracking at the ferrite surface. In the austenite phase, parallel cracking alongside twins and hexagonal close packed (martensitic) regions has been observed. In both phases and even in the apparent interface, cracking has been associated with high deuterium concentrations, as compared to the surrounding undamaged microstructure. Sub-surface blistering in the ferrite has to be attributed to the accumulation and recombination of deuterium at the ferrite-austenite interface underneath the respective ferrite grains and after fast diffusing through this phase. Generally, the present application of chemometric imaging and structural analyses allows characterization of hydrogen assisted degradation at a sub-micron lateral resolution.

Subcellular SIMS imaging of isotopically labeled amino acids in cryogenically prepared cells

International Nuclear Information System (INIS)

Chandra, Subhash

2004-01-01

Ion microscopy is a potentially powerful technique for localization of isotopically labeled molecules. In this study, L-arginine and phenylalanine amino acids labeled with stable isotopes 13 C and 15 N were localized in cultured cells with the ion microscope at 500 nm spatial resolution. Cells were exposed to the labeled amino acids and cryogenically prepared. SIMS analyses were made in fractured freeze-dried cells. A dynamic distribution was observed from labeled arginine-treated LLC-PK 1 kidney cells at mass 28 ( 13 C 15 N) in negative secondaries, revealing cell-to-cell heterogeneity and preferential accumulation of the amino acid (or its metabolite) in the nucleus and nucleolus of some cells. The smaller nucleolus inside the nucleus was clearly resolved in SIMS images and confirmed by correlative light microscopy. The distribution of labeled phenylalanine contrasted with arginine as it was rather homogeneously distributed in T98G human glioblastoma cells. Images of 39 K, 23 Na and 40 Ca were also recorded to confirm the reliability of sample preparation and authenticity of the observed amino acid distributions. These observations indicate that SIMS techniques can provide a valuable technology for subcellular localization of nitrogen-containing molecules in proteomics since nitrogen does not have a radionuclide tracer isotope. Amino acids labeled with stable isotopes can be used as tracers for studying their transport and metabolism in distinct subcellular compartments with SIMS. Further studies of phenylalanine uptake in human glioblastoma cells may have special significance in boron neutron capture therapy (BNCT) as a boron analogue of phenylalanine, boronophenylalanine is a clinically approved compound for the treatment of brain tumors

Subcellular SIMS imaging of isotopically labeled amino acids in cryogenically prepared cells

Energy Technology Data Exchange (ETDEWEB)

Chandra, Subhash

2004-06-15

Ion microscopy is a potentially powerful technique for localization of isotopically labeled molecules. In this study, L-arginine and phenylalanine amino acids labeled with stable isotopes {sup 13}C and {sup 15}N were localized in cultured cells with the ion microscope at 500 nm spatial resolution. Cells were exposed to the labeled amino acids and cryogenically prepared. SIMS analyses were made in fractured freeze-dried cells. A dynamic distribution was observed from labeled arginine-treated LLC-PK{sub 1} kidney cells at mass 28 ({sup 13}C{sup 15}N) in negative secondaries, revealing cell-to-cell heterogeneity and preferential accumulation of the amino acid (or its metabolite) in the nucleus and nucleolus of some cells. The smaller nucleolus inside the nucleus was clearly resolved in SIMS images and confirmed by correlative light microscopy. The distribution of labeled phenylalanine contrasted with arginine as it was rather homogeneously distributed in T98G human glioblastoma cells. Images of {sup 39}K, {sup 23}Na and {sup 40}Ca were also recorded to confirm the reliability of sample preparation and authenticity of the observed amino acid distributions. These observations indicate that SIMS techniques can provide a valuable technology for subcellular localization of nitrogen-containing molecules in proteomics since nitrogen does not have a radionuclide tracer isotope. Amino acids labeled with stable isotopes can be used as tracers for studying their transport and metabolism in distinct subcellular compartments with SIMS. Further studies of phenylalanine uptake in human glioblastoma cells may have special significance in boron neutron capture therapy (BNCT) as a boron analogue of phenylalanine, boronophenylalanine is a clinically approved compound for the treatment of brain tumors.

Mass Spectrometry Imaging Shows Cocaine and Methylphenidate Have Opposite Effects on Major Lipids in Drosophila Brain.

Science.gov (United States)

Philipsen, Mai H; Phan, Nhu T N; Fletcher, John S; Malmberg, Per; Ewing, Andrew G

2018-03-20

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to study the effects of cocaine versus methylphenidate administration on both the localization and abundance of lipids in Drosophila melanogaster brain. A J105 ToF-SIMS with a 40 keV gas cluster primary ion source enabled us to probe molecular ions of biomolecules on the fly with a spatial resolution of ∼3 μm, giving us unique insights into the effect of these drugs on molecular lipids in the nervous system. Significant changes in phospholipid composition were observed in the central brain for both. Principal components image analysis revealed that changes occurred mainly for phosphatidylcholines, phosphatidylethanolamines, and phosphatidylinositols. When the lipid changes caused by cocaine were compared with those induced by methylphenidate, it was shown that these drugs exert opposite effects on the brain lipid structure. We speculate that this might relate to the molecular mechanism of cognition and memory.

Biomaterial imaging with MeV-energy heavy ion beams

Energy Technology Data Exchange (ETDEWEB)

Seki, Toshio, E-mail: seki@sakura.nucleng.kyoto-u.ac.jp [Department of Nuclear Engineering, Kyoto Univ., Uji, Kyoto 611-0011 (Japan); CREST, Japan Science and Technology Agency (JST), Chiyoda, Tokyo 102-0075 (Japan); Wakamatsu, Yoshinobu; Nakagawa, Shunichiro [Department of Nuclear Engineering, Kyoto Univ., Uji, Kyoto 611-0011 (Japan); Aoki, Takaaki [Department of Electronic Science and Engineering, Kyoto Univ., Nishikyo, Kyoto 615-8510 (Japan); CREST, Japan Science and Technology Agency (JST), Chiyoda, Tokyo 102-0075 (Japan); Ishihara, Akihiko [Laboratory of Cell Biology and Life Science, Graduate School of Human and Environmental Studies, Kyoto Univ., Sakyo, Kyoto 606-8501 (Japan); Matsuo, Jiro [Quantum Science and Engineering Center, Kyoto Univ., Uji, Kyoto 611-0011 (Japan); CREST, Japan Science and Technology Agency (JST), Chiyoda, Tokyo 102-0075 (Japan)

2014-08-01

The spatial distribution of several chemical compounds in biological tissues and cells can be obtained with mass spectrometry imaging (MSI). In conventional secondary ion mass spectrometry (SIMS) with keV-energy ion beams, elastic collisions occur between projectiles and atoms of constituent molecules. The collisions produce fragments, making the acquisition of molecular information difficult. In contrast, ion beams with MeV-energy excite near-surface electrons and enhance the ionization of high-mass molecules; hence, SIMS spectra of fragment-suppressed ionized molecules can be obtained with MeV-SIMS. To compare between MeV and conventional SIMS, we used the two methods based on MeV and Bi{sub 3}-keV ions, respectively, to obtain molecular images of rat cerebellum. Conventional SIMS images of m/z 184 were clearly observed, but with the Bi{sub 3} ion, the distribution of the molecule with m/z 772.5 could be observed with much difficulty. This effect was attributed to the low secondary ion yields and we could not get many signal counts with keV-energy beam. On the other hand, intact molecular ion distributions of lipids were clearly observed with MeV-SIMS, although the mass of all lipid molecules was higher than 500 Da. The peaks of intact molecular ions in MeV-SIMS spectra allowed us to assign the mass. The high secondary ion sensitivity with MeV-energy heavy ions is very useful in biomaterial analysis.

Biomaterial imaging with MeV-energy heavy ion beams

International Nuclear Information System (INIS)

Seki, Toshio; Wakamatsu, Yoshinobu; Nakagawa, Shunichiro; Aoki, Takaaki; Ishihara, Akihiko; Matsuo, Jiro

2014-01-01

The spatial distribution of several chemical compounds in biological tissues and cells can be obtained with mass spectrometry imaging (MSI). In conventional secondary ion mass spectrometry (SIMS) with keV-energy ion beams, elastic collisions occur between projectiles and atoms of constituent molecules. The collisions produce fragments, making the acquisition of molecular information difficult. In contrast, ion beams with MeV-energy excite near-surface electrons and enhance the ionization of high-mass molecules; hence, SIMS spectra of fragment-suppressed ionized molecules can be obtained with MeV-SIMS. To compare between MeV and conventional SIMS, we used the two methods based on MeV and Bi 3 -keV ions, respectively, to obtain molecular images of rat cerebellum. Conventional SIMS images of m/z 184 were clearly observed, but with the Bi 3 ion, the distribution of the molecule with m/z 772.5 could be observed with much difficulty. This effect was attributed to the low secondary ion yields and we could not get many signal counts with keV-energy beam. On the other hand, intact molecular ion distributions of lipids were clearly observed with MeV-SIMS, although the mass of all lipid molecules was higher than 500 Da. The peaks of intact molecular ions in MeV-SIMS spectra allowed us to assign the mass. The high secondary ion sensitivity with MeV-energy heavy ions is very useful in biomaterial analysis

Cluster secondary ion mass spectrometry microscope mode mass spectrometry imaging.

Science.gov (United States)

Kiss, András; Smith, Donald F; Jungmann, Julia H; Heeren, Ron M A

2013-12-30

Microscope mode imaging for secondary ion mass spectrometry is a technique with the promise of simultaneous high spatial resolution and high-speed imaging of biomolecules from complex surfaces. Technological developments such as new position-sensitive detectors, in combination with polyatomic primary ion sources, are required to exploit the full potential of microscope mode mass spectrometry imaging, i.e. to efficiently push the limits of ultra-high spatial resolution, sample throughput and sensitivity. In this work, a C60 primary source was combined with a commercial mass microscope for microscope mode secondary ion mass spectrometry imaging. The detector setup is a pixelated detector from the Medipix/Timepix family with high-voltage post-acceleration capabilities. The system's mass spectral and imaging performance is tested with various benchmark samples and thin tissue sections. The high secondary ion yield (with respect to 'traditional' monatomic primary ion sources) of the C60 primary ion source and the increased sensitivity of the high voltage detector setup improve microscope mode secondary ion mass spectrometry imaging. The analysis time and the signal-to-noise ratio are improved compared with other microscope mode imaging systems, all at high spatial resolution. We have demonstrated the unique capabilities of a C60 ion microscope with a Timepix detector for high spatial resolution microscope mode secondary ion mass spectrometry imaging. Copyright © 2013 John Wiley & Sons, Ltd.

Interfacial micropore defect formation in PEDOT:PSS-Si hybrid solar cells probed by TOF-SIMS 3D chemical imaging.

Science.gov (United States)

Thomas, Joseph P; Zhao, Liyan; Abd-Ellah, Marwa; Heinig, Nina F; Leung, K T

2013-07-16

Conducting p-type polymer layers on n-type Si have been widely studied for the fabrication of cost-effective hybrid solar cells. In this work, time-of-flight secondary ion mass spectrometry (TOF-SIMS) is used to provide three-dimensional chemical imaging of the interface between poly(3,4-ethylene-dioxythiophene):polystyrenesulfonate (PEDOT:PSS) and SiOx/Si in a hybrid solar cell. To minimize structural damage to the polymer layer, an Ar cluster sputtering source is used for depth profiling. The present result shows the formation of micropore defects in the interface region of the PEDOT:PSS layer on the SiOx/Si substrate. This interfacial micropore defect formation becomes more prominent with increasing thickness of the native oxide layer, which is a key device parameter that greatly affects the hybrid solar cell performance. Three-dimensional chemical imaging coupled with Ar cluster ion sputtering has therefore been demonstrated as an emerging technique for probing the interface of this and other polymer-inorganic systems.

ToF-SIMS observation for evaluating the interaction between amyloid β and lipid membranes.

Science.gov (United States)

Aoyagi, Satoka; Shimanouchi, Toshinori; Kawashima, Tomoko; Iwai, Hideo

2015-04-01

The adsorption behaviour of amyloid beta (Aβ), thought to be a key peptide for understanding Alzheimer's disease, was investigated by means of time-of-flight secondary ion mass spectrometry (ToF-SIMS). Aβ aggregates depending on the lipid membrane condition though it has not been fully understood yet. In this study, Aβ samples on different lipid membranes, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), were observed with ToF-SIMS and the complex ToF-SIMS data of the Aβ samples was interpreted using data analysis techniques such as principal component analysis (PCA), gentle-SIMS (G-SIMS) and g-ogram. DOPC and DMPC are liquid crystal at room temperature, while DPPC is gel at room temperature. As primary ion beams, Bi3(+) and Ar cluster ion beams were used and the effect of an Ar cluster ion for evaluating biomolecules was also studied. The secondary ion images of the peptide fragment ions indicated by G-SIMS and g-ogram were consistent with the PCA results. It is suggested that Aβ is adsorbed homogeneously on the liquid-crystalline-phase lipid membranes, while it aggregates along the lipid on the gel-phase lipid membrane. Moreover, in the results using the Ar cluster, the influence of contamination was reduced.

Investigations of corrosion phenomena on gold coins with SIMS

International Nuclear Information System (INIS)

Mayerhofer, K.E.; Piplits, K.; Traum, R.; Griesser, M.; Hutter, H.

2005-01-01

In order to establish a new handling procedure for contaminated coins, the Coin Cabinet and the Conservation Science Department of the Kunsthistorisches Museum, Vienna, initiated a research project on corrosion effects of gold coins. By now, investigations on historic and contemporary coins included optical microscopy, scanning electron microscopy (SEM), Auger electron microscopy (AES), X-ray photoelectron microscopy (XPS), and electrochemical methods showing the distribution of pollutants. This work focuses on secondary ion mass spectrometry (SIMS) investigations merely showing the distribution of electronegative elements, such as sulfur, oxygen, and chlorine on the surface. Sulfur is highly suspected of causing the observed corrosion phenomena, and is indeed enriched near polluting splints. Since SIMS is a destructive method, the investigated samples are test coins with intentionally added impurities. These coins were manufactured in cooperation with the Austrian Mint. They were treated with potassium polysulfide (K 2 S x ) for 8 h gaining a rapid corrosion of the surface. SIMS mass spectra, depth profiles, and images were done (a) at non-polluted areas (b) near polluted areas with slight coloring, and (c) directly at polluting stains showing enrichments of sulfur and chlorine. Due to the success of these investigations further studies on historic coins are intended

An unsupervised MVA method to compare specific regions in human breast tumor tissue samples using ToF-SIMS.

Science.gov (United States)

Bluestein, Blake M; Morrish, Fionnuala; Graham, Daniel J; Guenthoer, Jamie; Hockenbery, David; Porter, Peggy L; Gamble, Lara J

2016-03-21

Imaging time-of-flight secondary ion mass spectrometry (ToF-SIMS) and principal component analysis (PCA) were used to investigate two sets of pre- and post-chemotherapy human breast tumor tissue sections to characterize lipids associated with tumor metabolic flexibility and response to treatment. The micron spatial resolution imaging capability of ToF-SIMS provides a powerful approach to attain spatially-resolved molecular and cellular data from cancerous tissues not available with conventional imaging techniques. Three ca. 1 mm(2) areas per tissue section were analyzed by stitching together 200 μm × 200 μm raster area scans. A method to isolate and analyze specific tissue regions of interest by utilizing PCA of ToF-SIMS images is presented, which allowed separation of cellularized areas from stromal areas. These PCA-generated regions of interest were then used as masks to reconstruct representative spectra from specifically stromal or cellular regions. The advantage of this unsupervised selection method is a reduction in scatter in the spectral PCA results when compared to analyzing all tissue areas or analyzing areas highlighted by a pathologist. Utilizing this method, stromal and cellular regions of breast tissue biopsies taken pre- versus post-chemotherapy demonstrate chemical separation using negatively-charged ion species. In this sample set, the cellular regions were predominantly all cancer cells. Fatty acids (i.e. palmitic, oleic, and stearic), monoacylglycerols, diacylglycerols and vitamin E profiles were distinctively different between the pre- and post-therapy tissues. These results validate a new unsupervised method to isolate and interpret biochemically distinct regions in cancer tissues using imaging ToF-SIMS data. In addition, the method developed here can provide a framework to compare a variety of tissue samples using imaging ToF-SIMS, especially where there is section-to-section variability that makes it difficult to use a serial hematoxylin

Time of flight secondary ion mass spectrometry: A powerful high throughput screening tool

International Nuclear Information System (INIS)

Smentkowski, Vincent S.; Ostrowski, Sara G.

2007-01-01

Combinatorial materials libraries are becoming more complicated; successful screening of these libraries requires the development of new high throughput screening methodologies. Time of flight secondary ion mass spectrometry (ToF-SIMS) is a surface analytical technique that is able to detect and image all elements (including hydrogen which is problematic for many other analysis instruments) and molecular fragments, with high mass resolution, during a single measurement. Commercial ToF-SIMS instruments can image 500 μm areas by rastering the primary ion beam over the region of interest. In this work, we will show that large area analysis can be performed, in one single measurement, by rastering the sample under the ion beam. We show that an entire 70 mm diameter wafer can be imaged in less than 90 min using ToF-SIMS stage (macro)rastering techniques. ToF-SIMS data sets contain a wealth of information since an entire high mass resolution mass spectrum is saved at each pixel in an ion image. Multivariate statistical analysis (MVSA) tools are being used in the ToF-SIMS community to assist with data interpretation; we will demonstrate that MVSA tools provide details that were not obtained using manual (univariate) analysis

NanoSIMS50 analyses of Ar/18O2 plasma-treated Escherichia coli bacteria

International Nuclear Information System (INIS)

Clément, F; Lecoq, E; Duday, D; Audinot, J-N; Lentzen, E; Penny, C; Cauchie, H-M; Choquet, P; Belmonte, T

2011-01-01

Reactive oxygen species (ROS) can be produced by electrical discharges and can be transported in uncharged regions by gas flows, in the so-called afterglows. These species are well known to have bactericidal effects but interaction mechanisms that occur with living micro-organisms remain misunderstood. In order to better understand these interactions, new analysis approaches are necessary. High-lateral-resolution secondary ion mass spectrometry (NanoSIMS) is one of the most promising ways of retrieving additional information on bacteria plasma inactivation mechanisms by combining isotopic imaging of plasma-treated bacteria and the use of 18 O 2 as process gas. Indeed, this technology combines a lateral resolution of a few tens of nanometres that is sufficient to image the interior of bacteria, and a high mass resolution allowing detection of isotopes present in low quantities (a few ppm or lower) within the bacteria. The present paper deals with Ar- 18 O 2 (2%) plasma treatment, through low-pressure microwave late afterglows, of Escherichia coli bacteria and their elemental and isotopic imaging by NanoSIMS. E. coli bacteria have been exposed to this reactive medium for varying treatment duration while keeping all other parameters unchanged. Our main goal is to determine whether the quantity of 18 O fixed in treated bacteria and the NanoSIMS50 lateral resolution are sufficient to give additional information on E. coli bacteria-plasma interaction. (paper)

Large geometry secondary ion mass spectrometry (LG-SIMS) for the enhancement of nuclear safeguards applications

International Nuclear Information System (INIS)

Helberg, P.M.L.; Wallenius, M.; Vincent, C.; Albert, N.; Peres, P.; Truyens, J.

2013-01-01

A new LG-SIMS (Large Geometry Secondary Ion Mass Spectrometry) laboratory is currently being established at the Joint Research Centre, the Institute of Transuranium Elements for the purpose of improving the analytical capabilities within the European Commission. The laboratory will mainly be used for analysing uranium bearing aerosol particles collected on cotton swipes from nuclear Safeguards inspections but it will also be used for Nuclear Forensics and other Safeguards related applications. Until recently, this type of analysis has predominantly been performed using the small geometry CAMECA IMS 3F-7F instrument series. These instruments provide both particle screening and isotope ratio capabilities. The performance of these instruments was however limited by the occurrence of isobaric interferences, in particular for the minor isotopes ( 234 U, 236 U), that could not be resolved without compromising the transmission of the instrument. A recent breakthrough to solve this problem has been the implementation of Large Geometry SIMS, the CAMECA 1270 / 1280 / 1280-HR models, for this type of analysis. This instrument has originally been developed for geosciences applications requiring both high transmission and high mass resolution capabilities. This came out to be a key instrumental advantage also for uranium particle analyses, as it allows efficient removal of common molecular interferences with minimum loss in transmission. Furthermore an electrostatic ion optical device has been added for increasing the mass dispersion which allows the simultaneous detection of all uranium isotopes. The Automated Particle Measurement (APM) software has been developed to perform screening measurement in an automated mode. Combined with the APM screening software, LG-SIMS instruments greatly improve the overall performance and throughput of isotopic analyses of U particles for nuclear Safeguards purposes. The paper is followed by the slides of the presentation. (A.C.)

Quantitative imaging of magnesium distribution at single-cell resolution in brain tumors and infiltrating tumor cells with secondary ion mass spectrometry (SIMS)

Science.gov (United States)

Chandra, Subhash; Parker, Dylan J.; Barth, Rolf F.; Pannullo, Susan C.

2016-01-01

Glioblastoma multiforme (GBM) is one of the deadliest forms of human brain tumors. The infiltrative pattern of growth of these tumors includes the spread of individual and/or clusters of tumor cells at some distance from the main tumor mass in parts of the brain protected by an intact blood-brain-barrier. Pathophysiological studies of GBM could be greatly enhanced by analytical techniques capable of in situ single-cell resolution measurements of infiltrating tumor cells. Magnesium homeostasis is an area of active investigation in high grade gliomas. In the present study, we have used the F98 rat glioma as a model of human GBM and an elemental/isotopic imaging technique of secondary ion mass spectrometry (SIMS), a CAMECA IMS-3f ion microscope, for studying Mg distributions with single-cell resolution in freeze-dried brain tissue cryosections. Quantitative observations were made on tumor cells in the main tumor mass, contiguous brain tissue, and infiltrating tumor cells in adjacent normal brain. The brain tissue contained a significantly lower total Mg concentration of 4.70 ± 0.93 mmol/Kg wet weight (mean ± SD) in comparison to 11.64 ± 1.96 mmol/Kg wet weight in tumor cells of the main tumor mass and 10.72 ± 1.76 mmol/Kg wet weight in infiltrating tumor cells (p<0.05). The nucleus of individual tumor cells contained elevated levels of bound Mg. These observations demonstrate enhanced Mg-influx and increased binding of Mg in tumor cells and provide strong support for further investigation of GBMs for altered Mg homeostasis and activation of Mg-transporting channels as possible therapeutic targets. PMID:26703785

Study and optimisation of SIMS performed with He+ and Ne+ bombardment

International Nuclear Information System (INIS)

Pillatsch, L.; Vanhove, N.; Dowsett, D.; Sijbrandij, S.; Notte, J.; Wirtz, T.

2013-01-01

The combination of the high-brightness He + /Ne + atomic level ion source with the detection capabilities of secondary ion mass spectrometry (SIMS) opens up the prospect of obtaining chemical information with high lateral resolution and high sensitivity on the Zeiss ORION helium ion microscope (HIM). A feasibility study with He + and Ne + ion bombardment is presented in order to determine the performance of SIMS analyses using the HIM. Therefore, the sputtering yields, useful yields and detection limits obtained for metallic (Al, Ni and W) as well as semiconductor samples (Si, Ge, GaAs and InP) were investigated. All the experiments were performed on a Cameca IMS4f SIMS instrument which was equipped with a caesium evaporator and oxygen flooding system. For most of the elements, useful yields in the range of 10 −4 to 3 × 10 −2 were measured with either O 2 or Cs flooding. SIMS experiments performed directly on the ORION with a prototype secondary ion extraction and detection system lead to results that are consistent with those obtained on the IMS4f. Taking into account the obtained useful yields and the analytical conditions, such as the ion current and typical dwell time on the ORION HIM, detection limits in the at% range and better can be obtained during SIMS imaging at 10 nm lateral resolution with Ne + bombardment and down to the ppm level when a lateral resolution of 100 nm is chosen. Performing SIMS on the HIM with a good detection limit while maintaining an excellent lateral resolution (<50 nm) is therefore very promising.

Imaging cellular structures in super-resolution with SIM, STED and Localisation Microscopy: A practical comparison.

Science.gov (United States)

Wegel, Eva; Göhler, Antonia; Lagerholm, B Christoffer; Wainman, Alan; Uphoff, Stephan; Kaufmann, Rainer; Dobbie, Ian M

2016-06-06

Many biological questions require fluorescence microscopy with a resolution beyond the diffraction limit of light. Super-resolution methods such as Structured Illumination Microscopy (SIM), STimulated Emission Depletion (STED) microscopy and Single Molecule Localisation Microscopy (SMLM) enable an increase in image resolution beyond the classical diffraction-limit. Here, we compare the individual strengths and weaknesses of each technique by imaging a variety of different subcellular structures in fixed cells. We chose examples ranging from well separated vesicles to densely packed three dimensional filaments. We used quantitative and correlative analyses to assess the performance of SIM, STED and SMLM with the aim of establishing a rough guideline regarding the suitability for typical applications and to highlight pitfalls associated with the different techniques.

In-situ Isotopic Analysis at Nanoscale using Parallel Ion Electron Spectrometry: A Powerful New Paradigm for Correlative Microscopy

Science.gov (United States)

Yedra, Lluís; Eswara, Santhana; Dowsett, David; Wirtz, Tom

2016-01-01

Isotopic analysis is of paramount importance across the entire gamut of scientific research. To advance the frontiers of knowledge, a technique for nanoscale isotopic analysis is indispensable. Secondary Ion Mass Spectrometry (SIMS) is a well-established technique for analyzing isotopes, but its spatial-resolution is fundamentally limited. Transmission Electron Microscopy (TEM) is a well-known method for high-resolution imaging down to the atomic scale. However, isotopic analysis in TEM is not possible. Here, we introduce a powerful new paradigm for in-situ correlative microscopy called the Parallel Ion Electron Spectrometry by synergizing SIMS with TEM. We demonstrate this technique by distinguishing lithium carbonate nanoparticles according to the isotopic label of lithium, viz. 6Li and 7Li and imaging them at high-resolution by TEM, adding a new dimension to correlative microscopy. PMID:27350565

Investigation of the deuterium solubility in niobium using secondary ion mass spectrometry (SIMS)

International Nuclear Information System (INIS)

Zuechner, H.; Bruening, T.

1991-01-01

From SIMS measurements on deuterium charged niobium foils a pressure-composition isotherm was obtained. The plateau pressure of the α-β-two-phase region is in good agreement with that known from electrochemical p-n isotherm measurements. The solubility in the homogeneous α-phase measured by SIMS, however, is enhanced compared with the electrochemical p-n isotherm, i.e. the homogeneous α-phase is broadened. These results are due to the ion bombardment causing a lattice distortion within the near surface region during the SIMS experiment. (orig.)

Imaging mass spectrometry in drug development and toxicology.

Science.gov (United States)

Karlsson, Oskar; Hanrieder, Jörg

2017-06-01

During the last decades, imaging mass spectrometry has gained significant relevance in biomedical research. Recent advances in imaging mass spectrometry have paved the way for in situ studies on drug development, metabolism and toxicology. In contrast to whole-body autoradiography that images the localization of radiolabeled compounds, imaging mass spectrometry provides the possibility to simultaneously determine the discrete tissue distribution of the parent compound and its metabolites. In addition, imaging mass spectrometry features high molecular specificity and allows comprehensive, multiplexed detection and localization of hundreds of proteins, peptides and lipids directly in tissues. Toxicologists traditionally screen for adverse findings by histopathological examination. However, studies of the molecular and cellular processes underpinning toxicological and pathologic findings induced by candidate drugs or toxins are important to reach a mechanistic understanding and an effective risk assessment strategy. One of IMS strengths is the ability to directly overlay the molecular information from the mass spectrometric analysis with the tissue section and allow correlative comparisons of molecular and histologic information. Imaging mass spectrometry could therefore be a powerful tool for omics profiling of pharmacological/toxicological effects of drug candidates and toxicants in discrete tissue regions. The aim of the present review is to provide an overview of imaging mass spectrometry, with particular focus on MALDI imaging mass spectrometry, and its use in drug development and toxicology in general.

An investigation on the mechanism of sublimed DHB matrix on molecular ion yields in SIMS imaging of brain tissue.

Science.gov (United States)

Dowlatshahi Pour, Masoumeh; Malmberg, Per; Ewing, Andrew

2016-05-01

We have characterized the use of sublimation to deposit matrix-assisted laser desorption/ionization (MALDI) matrices in secondary ion mass spectrometry (SIMS) analysis, i.e. matrix-enhanced SIMS (ME-SIMS), a common surface modification method to enhance sensitivity for larger molecules and to increase the production of intact molecular ions. We use sublimation to apply a thin layer of a conventional MALDI matrix, 2,5-dihydroxybenzoic acid (DHB), onto rat brain cerebellum tissue to show how this technique can be used to enhance molecular yields in SIMS while still retaining a lateral resolution around 2 μm and also to investigate the mechanism of this enhancement. The results here illustrate that cholesterol, which is a dominant lipid species in the brain, is decreased on the tissue surface after deposition of matrix, particularly in white matter. The decrease of cholesterol is followed by an increased ion yield of several other lipid species. Depth profiling of the sublimed rat brain reveals that the lipid species are de facto extracted by the DHB matrix and concentrated in the top most layers of the sublimed matrix. This extraction/concentration of lipids directly leads to an increase of higher mass lipid ion yield. It is also possible that the decrease of cholesterol decreases the potential suppression of ion yield caused by cholesterol migration to the tissue surface. This result provides us with significant insights into the possible mechanisms involved when using sublimation to deposit this matrix in ME-SIMS.

Quantitative analysis of styrene butadiene copolymers using S-SIMS and LA-FTICRMS

International Nuclear Information System (INIS)

Ruch, D.; Boes, C.; Zimmer, R.; Muller, J.F.; Migeon, H.-N.

2003-01-01

Styrene butadiene copolymers (SBR) have been analyzed by static secondary ion mass spectrometry (S-SIMS) and laser ablation Fourier transform ion cyclotron resonance mass spectrometry (LA-FTICRMS) to obtain quantitative information based on specific peaks knowing that the complication of this system is that there are no characteristic SIMS peaks unique to each styrene and butadiene monomer. So, to overcome this problem, a silver deposition has been applied into polystyrene (PS), butadiene rubber (BR) and SBR. By this way, new secondary ions are detected in particular silver cationized butadiene and styrene monomers at m/z 161/163 and 211/213, respectively. The LA-FTICRMS experiments do not require pre-treatment. At high laser power density, UV photons (193, 266 and 355 nm) allow to detect directly the styrene and butadiene ions at m/z 104 and 54, respectively. Using these SIMS and LA-FTICRMS peaks, it is possible to obtain quantitative results. However, the silver coating in the SIMS experiment seems to have a great influence on the obtention of quantitative information. For LA-FTICRMS experiments, the best results seem to be obtained at the 355 nm wavelength

Evaluation of biomolecular distributions in rat brain tissues by means of ToF-SIMS using a continuous beam of Ar clusters.

Science.gov (United States)

Nakano, Shusuke; Yokoyama, Yuta; Aoyagi, Satoka; Himi, Naoyuki; Fletcher, John S; Lockyer, Nicholas P; Henderson, Alex; Vickerman, John C

2016-06-08

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) provides detailed chemical structure information and high spatial resolution images. Therefore, ToF-SIMS is useful for studying biological phenomena such as ischemia. In this study, in order to evaluate cerebral microinfarction, the distribution of biomolecules generated by ischemia was measured with ToF-SIMS. ToF-SIMS data sets were analyzed by means of multivariate analysis for interpreting complex samples containing unknown information and to obtain biomolecular mapping indicated by fragment ions from the target biomolecules. Using conventional ToF-SIMS (primary ion source: Bi cluster ion), it is difficult to detect secondary ions beyond approximately 1000 u. Moreover, the intensity of secondary ions related to biomolecules is not always high enough for imaging because of low concentration even if the masses are lower than 1000 u. However, for the observation of biomolecular distributions in tissues, it is important to detect low amounts of biological molecules from a particular area of tissue. Rat brain tissue samples were measured with ToF-SIMS (J105, Ionoptika, Ltd., Chandlers Ford, UK), using a continuous beam of Ar clusters as a primary ion source. ToF-SIMS with Ar clusters efficiently detects secondary ions related to biomolecules and larger molecules. Molecules detected by ToF-SIMS were examined by analyzing ToF-SIMS data using multivariate analysis. Microspheres (45 μm diameter) were injected into the rat unilateral internal carotid artery (MS rat) to cause cerebral microinfarction. The rat brain was sliced and then measured with ToF-SIMS. The brain samples of a normal rat and the MS rat were examined to find specific secondary ions related to important biomolecules, and then the difference between them was investigated. Finally, specific secondary ions were found around vessels incorporating microspheres in the MS rat. The results suggest that important biomolecules related to cerebral

Imaging with Mass Spectrometry: A SIMS and VUV-Photoionization Study of Ion-Sputtered Atoms and Clusters from GaAs and Au

Energy Technology Data Exchange (ETDEWEB)

Takahashi, Lynelle; Zhou, Jia; Wilson, Kevin R.; Leone, Stephen R.; Ahmed, Musahid

2008-12-05

A new mass spectrometry surface imaging method is presented in which ion-sputtered neutrals are postionized by wavelength-tunable vacuum ultraviolet (VUV) light from a synchrotron source. Mass spectra and signal counts of the photoionized neutrals from GaAs (100) and Au are compared to those of the secondary ions. While clusters larger than dimers are more efficiently detected as secondary ions, certain species, such as As2, Au and Au2, are more efficiently detected through the neutral channel. Continuously tuning the photon wavelength allows photoionization efficiency (PIE) curves to be obtained for sputtered Asm (m=1,2) and Aun (n=1-4). From the observed ionization thresholds, sputtered neutral As and Au show no clear evidence of electronic excitation, while neutral clusters have photoionization onsets shifted to lower energies by ~;;0.3 eV. These shifts are attributed to unresolved vibrational and rotational excitations. High-spatial resolution chemical imaging with synchrotron VUV postionization is demonstrated at two different photon energies using a copper TEM grid embedded in indium. The resulting images are used to illustrate the use of tunable VUV light for verifying mass peak assignments by exploiting the unique wavelength-dependent PIE of each sputtered neutral species. This capability is valuable for identifying compounds when imaging chemically complex systems with mass spectrometry-based techniques.

Multielement ultratrace analysis in tungsten using secondary ion mass spectrometry

International Nuclear Information System (INIS)

Wilhartitz, P.; Virag, A.; Friedbacher, G.; Grasserbauer, M.

1987-01-01

The ever increasing demands on properties of materials create a trend also towards ultrapure products. Characterization of these materials is only possible with modern, highly sophisticated analytical techniques such as activation analysis and mass spectrometry, particularly SSMS, SIMS and GDMS. Analytical strategies were developed for the determination of about 40 elements in a tungsten matrix with high-performance SIMS. Difficulties like the elimination of interferences had to be overcome. Extrapolated detection limits were established in the range of pg/g (alkali metals, halides) to ng/g (e.g. Ta, Th). Depth profiling and ion imaging gave additional information about the lateral and the depth distribution of the elements. (orig.)

Imaging of Crystalline and Amorphous Surface Regions Using Time-of-Flight Secondary-Ion Mass Spectrometry (ToF-SIMS): Application to Pharmaceutical Materials.

Science.gov (United States)

Iuraş, Andreea; Scurr, David J; Boissier, Catherine; Nicholas, Mark L; Roberts, Clive J; Alexander, Morgan R

2016-04-05

The structure of a material, in particular the extremes of crystalline and amorphous forms, significantly impacts material performance in numerous sectors such as semiconductors, energy storage, and pharmaceutical products, which are investigated in this paper. To characterize the spatial distribution for crystalline-amorphous forms at the uppermost molecular surface layer, we performed time-of-flight secondary-ion mass spectroscopy (ToF-SIMS) measurements for quench-cooled amorphous and recrystallized samples of the drugs indomethacin, felodipine, and acetaminophen. Polarized light microscopy was used to localize crystallinity induced in the samples under controlled conditions. Principal component analysis was used to identify the subtle changes in the ToF-SIMS spectra indicative of the amorphous and crystalline forms for each drug. The indicators of amorphous and crystalline surfaces were common in type across the three drugs, and could be explained in general terms of crystal packing and intermolecular bonding, leading to intramolecular bond scission in the formation of secondary ions. Less intramolecular scission occurred in the amorphous form, resulting in a greater intensity of molecular and dimer secondary ions. To test the generality of amorphous-crystalline differentiation using ToF-SIMS, a different recrystallization method was investigated where acetaminophen single crystals were recrystallized from supersaturated solutions. The findings indicated that the ability to assign the crystalline/amorphous state of the sample using ToF-SIMS was insensitive to the recrystallization method. This demonstrates that ToF-SIMS is capable of detecting and mapping ordered crystalline and disordered amorphous molecular materials forms at micron spatial resolution in the uppermost surface of a material.

Improved quantitative analysis of Cu(In,Ga)Se{sub 2} thin films using MCs{sup +}-SIMS depth profiling

Energy Technology Data Exchange (ETDEWEB)

Lee, Jihye; Kim, Seon Hee; Lee, Kang-Bong; Lee, Yeonhee [Korea Institute of Science and Technology, Advanced Analysis Center, Seoul (Korea, Republic of); Min, Byoung Koun [Korea Institute of Science and Technology, Clean Energy Research Center, Seoul (Korea, Republic of)

2014-06-15

The chalcopyrite semiconductor, Cu(InGa)Se{sub 2} (CIGS), is popular as an absorber material for incorporation in high-efficiency photovoltaic devices because it has an appropriate band gap and a high absorption coefficient. To improve the efficiency of solar cells, many research groups have studied the quantitative characterization of the CIGS absorber layers. In this study, a compositional analysis of a CIGS thin film was performed by depth profiling in secondary ion mass spectrometry (SIMS) with MCs{sup +} (where M denotes an element from the CIGS sample) cluster ion detection, and the relative sensitivity factor of the cluster ion was calculated. The emission of MCs{sup +} ions from CIGS absorber elements, such as Cu, In, Ga, and Se, under Cs{sup +} ion bombardment was investigated using time-of-flight SIMS (TOF-SIMS) and magnetic sector SIMS. The detection of MCs{sup +} ions suppressed the matrix effects of varying concentrations of constituent elements of the CIGS thin films. The atomic concentrations of the CIGS absorber layers from the MCs{sup +}-SIMS exhibited more accurate quantification compared to those of elemental SIMS and agreed with those of inductively coupled plasma atomic emission spectrometry. Both TOF-SIMS and magnetic sector SIMS depth profiles showed a similar MCs{sup +} distribution for the CIGS thin films. (orig.)

SIMS imaging of gadolinium isotopes in tissue from Nephrogenic Systemic Fibrosis patients: Release of free Gd from magnetic resonance imaging (MRI) contrast agents

Energy Technology Data Exchange (ETDEWEB)

Abraham, Jerrold L. [Department of Pathology, SUNY Upstate Medical University, Syracuse, New York (United States); Chandra, Subhash [Cornell SIMS Laboratory, Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, NY 14853 (United States)], E-mail: sc40@cornell.edu; Thakral, Charu [Department of Pathology, SUNY Upstate Medical University, Syracuse, New York (United States); Abraham, Joshua M. [Cornell SIMS Laboratory, Department of Earth and Atmospheric Sciences, Cornell University, Ithaca, NY 14853 (United States)

2008-12-15

Recently, Gd-based magnetic resonance imaging (MRI) contrast agents (GBMCA) have been linked to a new disease, Nephrogenic Systemic Fibrosis (NSF), with skin and systemic toxicity and death in certain patients with renal failure. Due to widespread use of GBMCA in diagnostic MRI, it is essential to study their excretion, metabolism, and target sites in cells and tissues. A CAMECA IMS-3f SIMS ion microscope and scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) were used for imaging Gd isotopes in relation to calcium distributions in histologic sections of human tissues. SIMS imaging revealed two types of Gd localization in skin biopsies of patients who received GBMCA. The Gd was present in micrometer size deposits in association with calcium, and in detectable amounts in a more diffuse cellular distribution. Only the Gd-containing deposits associated with Ca and P were detectable using SEM/EDS. As only insoluble deposits remain in the biopsy tissues after aqueous and organic solvent processing of the tissue, our observations support release of free Gd from the GBMCA and selective localization of insoluble Gd in the target tissue from patients with NSF. This study opens new novel applications of SIMS for characterization of the safety of GBMCA.

Some applications of SIMS in conservation science, archaeometry and cosmochemistry

International Nuclear Information System (INIS)

McPhail, D.S.

2006-01-01

Some applications of SIMS in conservation science, archaeometry and cosmochemistry are described. Ultra-low energy SIMS depth profiling and TOF-SIMS imaging are used to study the corrosion of low-lime glass vessels from the V and A museum. Static SIMS and focused ion beam (FIB) SIMS are used to study the effects of laser cleaning on museum artefacts. Archaeological glass from Raqqa, Syria is studied with FIB-SIMS and micrometeorite impacts on space vessels are studied with FIB and FIB-SIMS. The new analytical challenges provided to the SIMS community by these materials are presented and the ethical issues associated with sampling and destructive analysis discussed

Characterization of anodic barrier films on tantalum and 1100 aluminum by ISS/SIMS

International Nuclear Information System (INIS)

McCune, R.C.

1978-01-01

Ion scattering spectrometry (ISS) and concurrent secondary ion mass spectrometry (SIMS) were used to determine the depth profiles of anodic barrier oxide films grown on tantalum and type 1100 aluminum. The sputter rate in each case was determined from the film thickness measured by the anodic overvoltage, and the penetration time determined by the decrease in intensity of the metal oxide fragment observed using SIMS. A mixture of helium and neon ions was used to sputter aluminum oxide films in order to observe ion scattering of helium by oxygen, while taking advantage of the higher sputtering rate available with neon. A comparison of sputter rates for helium and neon on tantalum oxide indicated that neon sputtered the film at a rate eight times that of helium. SIMS depth profiling of the residual boron in the anodic aluminum oxide indicated a mixing effect which did not permit adequate resolution of the interface between the oxide film and the underlying metal

Mass Spectrometry Imaging, an Emerging Technology in Neuropsychopharmacology

Science.gov (United States)

Shariatgorji, Mohammadreza; Svenningsson, Per; Andrén, Per E

2014-01-01

Mass spectrometry imaging is a powerful tool for directly determining the distribution of proteins, peptides, lipids, neurotransmitters, metabolites and drugs in neural tissue sections in situ. Molecule-specific imaging can be achieved using various ionization techniques that are suited to different applications but which all yield data with high mass accuracies and spatial resolutions. The ability to simultaneously obtain images showing the distributions of chemical species ranging from metal ions to macromolecules makes it possible to explore the chemical organization of a sample and to correlate the results obtained with specific anatomical features. The imaging of biomolecules has provided new insights into multiple neurological diseases, including Parkinson's and Alzheimer's disease. Mass spectrometry imaging can also be used in conjunction with other imaging techniques in order to identify correlations between changes in the distribution of important chemical species and other changes in the properties of the tissue. Here we review the applications of mass spectrometry imaging in neuroscience research and discuss its potential. The results presented demonstrate that mass spectrometry imaging is a useful experimental method with diverse applications in neuroscience. PMID:23966069

Mass spectrometry imaging, an emerging technology in neuropsychopharmacology.

Science.gov (United States)

Shariatgorji, Mohammadreza; Svenningsson, Per; Andrén, Per E

2014-01-01

Mass spectrometry imaging is a powerful tool for directly determining the distribution of proteins, peptides, lipids, neurotransmitters, metabolites and drugs in neural tissue sections in situ. Molecule-specific imaging can be achieved using various ionization techniques that are suited to different applications but which all yield data with high mass accuracies and spatial resolutions. The ability to simultaneously obtain images showing the distributions of chemical species ranging from metal ions to macromolecules makes it possible to explore the chemical organization of a sample and to correlate the results obtained with specific anatomical features. The imaging of biomolecules has provided new insights into multiple neurological diseases, including Parkinson's and Alzheimer's disease. Mass spectrometry imaging can also be used in conjunction with other imaging techniques in order to identify correlations between changes in the distribution of important chemical species and other changes in the properties of the tissue. Here we review the applications of mass spectrometry imaging in neuroscience research and discuss its potential. The results presented demonstrate that mass spectrometry imaging is a useful experimental method with diverse applications in neuroscience.

Alpha spectrometry and the secondary ion mass spectrometry of thorium

International Nuclear Information System (INIS)

Strisovska, J.; Kuruc, J.; Galanda, D.; Matel, L.; Aranyosiova, M.; Velic, D.

2009-01-01

The main objective of this master thesis was preparation of samples with thorium content on the steel discs by electrodeposition for determination of natural thorium isotope by alpha spectrometry and the secondary ion mass spectrometry and finding out their possible linear correlation between these methods. The samples with electrolytically excluded isotope of 232 Th were prepared by electrodeposition from solution Th(NO 3 ) 4 ·12 H2 O on steel discs in electrodeposition cell with use of solutions Na 2 SO 4 , NaHSO 4 , KOH and (NH 4 ) 2 (C 2 O 4 ) by electric current 0.75 A. Discs were measured by alpha spectrometer. Activity was calculated from the registered impulses for 232 Th and surface's weight. After alpha spectrometry measurements discs were analyzed by TOF-SIMS IV which is installed in the International Laser Centre in Bratislava. Intensities of isotope of 232 Th and ions of ThO + , ThOH + , ThO 2 H + , Th 2 O 4 H + , ThO 2 - , ThO 3 H - , ThH 3 O 3 - and ThN 2 O 5 H - were identified. The linear correlation is between surface's weights of Th and intensities of ions of Th + from SIMS, however the correlation coefficient has relatively low value. We found out with SIMS method that oxidized and hydride forms of thorium are significantly represented in samples with electroplated thorium. (authors)

SIMS depth profile analysis of environmental microparticles

International Nuclear Information System (INIS)

Konarski, P.

2000-01-01

Environmental and technological research demands chemical characterization of aerosol particles so minute in size, that conventional methods for bulk analyses are simply not applicable. In this work novel application of secondary ion mass spectrometry (SIMS) for characterization of microparticles suspended in atmosphere of the working environment of glass plant Thomson Polkolor, Piaseczno and steelworks Huta Sendzimira, Cracow is presented. The new technique based on sample rotation in depth profile analysis of sub-micrometer particulate material was performed on SAJW-02 analyser equipped with Balzers 16 mm quadrupole spectrometer and sample rotation manipulator using 5 keV Ar + and O 2 + ion beams. The results were compared with the standard method used on ims-3f Cameca analyser 12 keV O 2 + ion beam. Grain size distributions of aerosol microparticles were estimated using eight-stage cascade impactor with particle size range of 0.2 μm to 15 μm. Elemental concentration and crystalline structure of the collected dust particles were performed using spark source mass spectrometry and X-ray diffraction methods. SIMS depth profile analysis shows that sub-micrometer particles do not have uniform morphology, The core-shell structure has been observed for particles collected in both factories. Presented models show that the steelworks particles consists mainly of iron and manganese cores. At the shells of these microparticles :lead, chlorine and fluorine are found. The cores of glass plant submicrometer particles consists mainly of lead-zirconium glass covered by a shell containing carbon and copper. Sample rotation technique applied SIMS appears to be an effective tool for environmental microparticle morphology studies. (author)

Secondary ion mass spectrometry: The application in the analysis of atmospheric particulate matter

Energy Technology Data Exchange (ETDEWEB)

Huang, Di; Hua, Xin; Xiu, Guang-Li; Zheng, Yong-Jie; Yu, Xiao-Ying; Long, Yi-Tao

2017-10-01

Currently, considerable attention has been paid to atmospheric particulate matter (PM) investigation due to its importance in human health and global climate change. Surface characterization of PM is important since the chemical heterogeneity between the surface and bulk may vary its impact on the environment and human being. Secondary ion mass spectrometry (SIMS) is a surface technique with high surface sensitivity, capable of high spatial chemical imaging and depth profiling. Recent research shows that SIMS holds great potential in analyzing both surface and bulk chemical information of PM. In this review, we presented the working principal of SIMS in PM characterization, summarized recent applications in PM analysis from different sources, discussed its advantages and limitations, and proposed the future development of this technique with a perspective in environmental sciences.

PLA-PMMA blends: A study by XPS and ToF-SIMS

International Nuclear Information System (INIS)

Cossement, D.; Gouttebaron, R.; Cornet, V.; Viville, P.; Hecq, M.; Lazzaroni, R.

2006-01-01

This paper reports which are the possibilities of quantification by time of flight secondary ion mass spectrometry (ToF-SIMS) for some polymer blends. In order to assess the composition of the mixtures, we studied first different poly(L-lactide)/polymethylmethacrylate (PLA/PMMA) blends by X-ray photoelectron spectroscopy (XPS), this technique being quantitative. By XPS fitting of the C 1s level, we found a very good agreement of the measured concentrations with the initial compositions. Concerning ToF-SIMS data treatment, we used principal component analysis (PCA) on negative spectra allowing to discriminate one polymer from the other one. By partial least square regression (PLS), we found also a good agreement between the ToF-SIMS predicted and initial compositions. This shows that ToF-SIMS, in a similar way to XPS, can lead to quantitative results. In addition, the observed agreement between XPS (60-100 A depth analyzed) and ToF-SIMS (10 A depth analyzed) measurements show that there is no segregation of one of the two polymers onto the surface

Presolar SiC Abundances in Primitive Meteorites by NanoSIMS Raster Ion Imaging of Insoluble Organic Matter

Science.gov (United States)

Davidson, J.; Busemann, H.; Alexander, C. M. O'd.; Nittler, L. R.; Schrader, D. L.; Orthous-Daunay, F. R.; Quirico, E.; Franchi, I. A.; Grady, M. M.

2009-03-01

We present results obtained with NanoSIMS raster ion imaging to determine the abundance of presolar SiC in the insoluble organic matter (IOM) extracted from a number of different classes of chondrites (both carbonaceous and ordinary).

Quantification and micron-scale imaging of spatial distribution of trace beryllium in shrapnel fragments and metallurgic samples with correlative fluorescence detection method and secondary ion mass spectrometry (SIMS).

Science.gov (United States)

Abraham, J L; Chandra, S; Agrawal, A

2014-11-01

Recently, a report raised the possibility of shrapnel-induced chronic beryllium disease from long-term exposure to the surface of retained aluminum shrapnel fragments in the body. Since the shrapnel fragments contained trace beryllium, methodological developments were needed for beryllium quantification and to study its spatial distribution in relation to other matrix elements, such as aluminum and iron, in metallurgic samples. In this work, we developed methodology for quantification of trace beryllium in samples of shrapnel fragments and other metallurgic sample-types with main matrix of aluminum (aluminum cans from soda, beer, carbonated water and aluminum foil). Sample preparation procedures were developed for dissolving beryllium for its quantification with the fluorescence detection method for homogenized measurements. The spatial distribution of trace beryllium on the sample surface and in 3D was imaged with a dynamic secondary ion mass spectrometry instrument, CAMECA IMS 3f secondary ion mass spectrometry ion microscope. The beryllium content of shrapnel (∼100 ppb) was the same as the trace quantities of beryllium found in aluminum cans. The beryllium content of aluminum foil (∼25 ppb) was significantly lower than cans. SIMS imaging analysis revealed beryllium to be distributed in the form of low micron-sized particles and clusters distributed randomly in X-Y- and Z dimensions, and often in association with iron, in the main aluminum matrix of cans. These observations indicate a plausible formation of Be-Fe or Al-Be alloy in the matrix of cans. Further observations were made on fluids (carbonated water) for understanding if trace beryllium in cans leached out and contaminated the food product. A direct comparison of carbonated water in aluminum cans and plastic bottles revealed that beryllium was below the detection limits of the fluorescence detection method (∼0.01 ppb). These observations indicate that beryllium present in aluminum matrix was either

Depth profiling using C60+ SIMS-Deposition and topography development during bombardment of silicon

International Nuclear Information System (INIS)

Gillen, Greg; Batteas, James; Michaels, Chris A.; Chi, Peter; Small, John; Windsor, Eric; Fahey, Albert; Verkouteren, Jennifer; Kim, K.J.

2006-01-01

A C 60 + primary ion source has been coupled to an ion microscope secondary ion mass spectrometry (SIMS) instrument to examine sputtering of silicon with an emphasis on possible application of C 60 + depth profiling for high depth resolution SIMS analysis of silicon semiconductor materials. Unexpectedly, C 60 + SIMS depth profiling of silicon was found to be complicated by the deposition of an amorphous carbon layer which buries the silicon substrate. Sputtering of the silicon was observed only at the highest accessible beam energies (14.5 keV impact) or by using oxygen backfilling. C 60 + SIMS depth profiling of As delta-doped test samples at 14.5 keV demonstrated a substantial (factor of 5) degradation in depth resolution compared to Cs + SIMS depth profiling. This degradation is thought to result from the formation of an unusual platelet-like grain structure on the SIMS crater bottoms. Other unusual topographical features were also observed on silicon substrates after high primary ion dose C 60 + bombardment

Direct ToF-SIMS analysis of organic halides and amines on TLC plates

Energy Technology Data Exchange (ETDEWEB)

Parent, Alexander A. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Anderson, Thomas M. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Michaelis, David J. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Jiang, Guilin [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Savage, Paul B. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Linford, Matthew R. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)]. E-mail: mrlinford@chem.byu.edu

2006-07-30

It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups.

Direct ToF-SIMS analysis of organic halides and amines on TLC plates

International Nuclear Information System (INIS)

Parent, Alexander A.; Anderson, Thomas M.; Michaelis, David J.; Jiang, Guilin; Savage, Paul B.; Linford, Matthew R.

2006-01-01

It has been reported that: 'direct analysis of thin layer chromatography (TLC) plates with secondary ion mass spectrometry (SIMS) yields no satisfactory results' (J. Chromatogr. A 1084 (2005) 113-118). While this statement appears to be true in general, we have identified two important classes of compounds, organic halides and amines, that appear to yield to such direct analyses. For example, five organic halides with diverse structures were eluted on normal phase TLC plates. In all cases the halide signals in the negative ion time-of-flight secondary ion mass spectrometry (ToF-SIMS) spectra were notably stronger than the background signals. Similarly, a series of five organic amines with diverse structures were directly analyzed by positive ion ToF-SIMS. In all but one of the spectra characteristic, and sometimes even quasi-molecular ions, were observed. Most likely, the good halide ion yields are largely a function of the electronegativity of the halogens. We also propose that direct analysis of amines on normal phase silica gel is facilitated by the acidity, i.e., proton donation, of surface silanol groups

Characterization of polymer solar cells by TOF-SIMS depth profiling

NARCIS (Netherlands)

Bulle-Lieuwma, C.W.T.; Gennip, van W.J.H.; Duren, van J.K.J.; Jonkheijm, P.; Janssen, R.A.J.; Niemantsverdriet, J.W.

2003-01-01

Solar cells consisting of polymer layers sandwiched between a transparent electrode on glass and a metal top electrode are studied using dynamic time-of-flight secondary ion mass spectrometry (TOF-SIMS) in dual-beam mode. Because depth profiling of polymers and polymer-metal stacks is a relatively

The use of secondary ion mass spectrometry for uranium analysis in bioassays

International Nuclear Information System (INIS)

Amaral, Ademir de Jesus

1997-01-01

Today many researches are performed to use mass spectrometry as complementary methods to the alpha spectrometry. In this study performance of the secondary ion mass spectrometry (SIMS) are evaluated for traces of uranium analysis in biological tissues and more particularly in urine. A special attention is done for the samples preparation, using thin polymers. the SIMS method feasibility is presented. The second part of the thesis deals with the use of a tracer to quantify the urinary uranium, the 233 U. The isotopic ratio are obtained with a detection limit of 10 -6 Bq in 238 U per urine litre. Other biological samples are studied to illustrate the adaptability of the SIMS method to internal dosimetry. (A.L.B.)

Image processing of globular clusters - Simulation for deconvolution tests (GlencoeSim)

Science.gov (United States)

Blazek, Martin; Pata, Petr

2016-10-01

This paper presents an algorithmic approach for efficiency tests of deconvolution algorithms in astronomic image processing. Due to the existence of noise in astronomical data there is no certainty that a mathematically exact result of stellar deconvolution exists and iterative or other methods such as aperture or PSF fitting photometry are commonly used. Iterative methods are important namely in the case of crowded fields (e.g., globular clusters). For tests of the efficiency of these iterative methods on various stellar fields, information about the real fluxes of the sources is essential. For this purpose a simulator of artificial images with crowded stellar fields provides initial information on source fluxes for a robust statistical comparison of various deconvolution methods. The "GlencoeSim" simulator and the algorithms presented in this paper consider various settings of Point-Spread Functions, noise types and spatial distributions, with the aim of producing as realistic an astronomical optical stellar image as possible.

Chemical 3D-imaging of glass inclusions from allende (CV3) olivine via SIMS: A new insight on chondrule formation conditions

Science.gov (United States)

Florentin, L.; Deloule, E.; Faure, F.; Mangin, D.

2018-06-01

Natural glass inclusions - hosted in Mg-rich olivines from Allende (CV3) type I chondrules - and synthetic melt inclusions - trapped in forsterite crystallized from CMAS (CaO-MgO-Al2O3-SiO2) melts - were mapped by Secondary Ion Mass Spectrometry (SIMS) for CMAS major oxides. The first ever 3D chemical images of extra-terrestrial glass inclusions were obtained, along with chemical depth profiles for each oxide. Results show similar patterns for both synthetic glass inclusions (trapped in olivine formed by slow crystallization in a magmatic liquid) and natural inclusions from Allende's olivines. No incompatible-rich boundary layer or diffusion pattern was observed in either case. The absence of an incompatible-rich boundary layer suggests that the olivine overgrowth surrounding glass inclusions in Allende's olivines was formed during slow cooling of the host olivine and likely the surrounding chondrule. This provides new constraints on the cooling rates of type I chondrules.

TOF-SIMS investigation of Streptomyces coelicolor, a mycelial bacterium

International Nuclear Information System (INIS)

Vaidyanathan, Seetharaman; Fletcher, John S.; Lockyer, Nicholas P.; Vickerman, John C.

2008-01-01

Streptomyces coelicolor is a mycelial microorganism that produces several secondary metabolites, including antibiotics. The physiology of the organism has largely been investigated in liquid cultures due to ease of monitoring different physiological parameters and more homogeneous culture conditions. However, solid cultures reflect the natural physiology of the microorganism better, given that in its natural state it grows in the soil. Imaging mass spectrometry with TOF-SIMS and C 60 + primary ion beams offers a potential route to studying chemical changes at the molecular level, both intracellular and extracellular that can help in understanding the natural physiology of the microorganism. Here, we report the application of the technique for studying the lateral distribution of the chemical species detected in a population, grown in both liquid and solid cultures. The capability of the technique for studying biological systems with minimal system intervention is demonstrated.

TOF-SIMS investigation of Streptomyces coelicolor, a mycelial bacterium

Science.gov (United States)

Vaidyanathan, Seetharaman; Fletcher, John S.; Lockyer, Nicholas P.; Vickerman, John C.

2008-12-01

Streptomyces coelicolor is a mycelial microorganism that produces several secondary metabolites, including antibiotics. The physiology of the organism has largely been investigated in liquid cultures due to ease of monitoring different physiological parameters and more homogeneous culture conditions. However, solid cultures reflect the natural physiology of the microorganism better, given that in its natural state it grows in the soil. Imaging mass spectrometry with TOF-SIMS and C 60+ primary ion beams offers a potential route to studying chemical changes at the molecular level, both intracellular and extracellular that can help in understanding the natural physiology of the microorganism. Here, we report the application of the technique for studying the lateral distribution of the chemical species detected in a population, grown in both liquid and solid cultures. The capability of the technique for studying biological systems with minimal system intervention is demonstrated.

Dietary uptake of omega-3 fatty acids in mouse tissue studied by time-of-flight secondary ion mass spectrometry (TOF-SIMS)

Czech Academy of Sciences Publication Activity Database

Sjövall, P.; Rossmeisl, Martin; Hanrieder, J.; Kuda, Ondřej; Kopecký, Jan; Bryhn, M.

2015-01-01

Roč. 407, č. 17 (2015), s. 5101-5111 ISSN 1618-2642 R&D Projects: GA ČR(CZ) GA14-09347S Institutional support: RVO:67985823 Keywords : Omega-3 * TOF-SIMS * mouse tissue * lipids Imaging * PCA Subject RIV: FB - Endocrinology, Diabetology, Metabolism, Nutrition Impact factor: 3.125, year: 2015

SimVascular 2.0: an Integrated Open Source Pipeline for Image-Based Cardiovascular Modeling and Simulation

Science.gov (United States)

Lan, Hongzhi; Merkow, Jameson; Updegrove, Adam; Schiavazzi, Daniele; Wilson, Nathan; Shadden, Shawn; Marsden, Alison

2015-11-01

SimVascular (www.simvascular.org) is currently the only fully open source software package that provides a complete pipeline from medical image based modeling to patient specific blood flow simulation and analysis. It was initially released in 2007 and has contributed to numerous advances in fundamental hemodynamics research, surgical planning, and medical device design. However, early versions had several major barriers preventing wider adoption by new users, large-scale application in clinical and research studies, and educational access. In the past years, SimVascular 2.0 has made significant progress by integrating open source alternatives for the expensive commercial libraries previously required for anatomic modeling, mesh generation and the linear solver. In addition, it simplified the across-platform compilation process, improved the graphical user interface and launched a comprehensive documentation website. Many enhancements and new features have been incorporated for the whole pipeline, such as 3-D segmentation, Boolean operation for discrete triangulated surfaces, and multi-scale coupling for closed loop boundary conditions. In this presentation we will briefly overview the modeling/simulation pipeline and advances of the new SimVascular 2.0.

Graphene Oxide as a Novel Evenly Continuous Phase Matrix for TOF-SIMS.

Science.gov (United States)

Cai, Lesi; Sheng, Linfeng; Xia, Mengchan; Li, Zhanping; Zhang, Sichun; Zhang, Xinrong; Chen, Hongyuan

2017-03-01

Using matrix to enhance the molecular ion signals for biomolecule identification without loss of spatial resolution caused by matrix crystallization is a great challenge for the application of TOF-SIMS in real-world biological research. In this report, graphene oxide (GO) was used as a matrix for TOF-SIMS to improve the secondary ion yields of intact molecular ions ([M + H] + ). Identifying and distinguishing the molecular ions of lipids (m/z >700) therefore became straightforward. The spatial resolution of TOF-SIMS imaging could also be improved as GO can form a homogeneous layer of matrix instead of crystalline domain, which prevents high spatial resolution in TOF-SIMS imaging. Lipid mapping in presence of GO revealed the delicate morphology and distribution of single vesicles with a diameter of 800 nm. On GO matrix, the vesicles with similar shape but different chemical composition could be distinguished using molecular ions. This novel matrix holds potentials in such applications as the analysis and imaging of complex biological samples by TOF-SIMS. Graphical Abstract ᅟ.

SIMS analyses of ultra-low-energy B ion implants in Si: Evaluation of profile shape and dose accuracy

International Nuclear Information System (INIS)

Magee, C.W.; Hockett, R.S.; Bueyueklimanli, T.H.; Abdelrehim, I.; Marino, J.W.

2007-01-01

Numerous experimental studies for near-surface analyses of B in Si have shown that the B distribution within the top few nanometers is distorted by secondary ion mass spectrometry (SIMS) depth profiling with O 2 -flooding or normal incidence O 2 bombardment. Furthermore, the presence of surface oxide affects the X j determination as well as B profile shape when SIMS analyses are conducted while fully oxidizing the analytical area. Nuclear techniques such as elastic recoil detection (ERD), nuclear reaction analysis (NRA), and high-resolution Rutherford backscattering spectrometry (HR-RBS), are known to provide a profile shape near the surface that is free of artifacts. Comparisons with SIMS analyses have shown that SIMS analyses without fully oxidizing the analytical area agree well with these techniques at sufficiently high concentrations (where the nuclear techniques are applicable). The ability to measure both the B profile and an oxide marker with this non-oxidizing SIMS technique also allows accurate positioning of the B profile with respect to the SiO 2 /Si interface. This SIMS analysis protocol has been used to study the differences in near-surface dopant distribution for plasma-based implants. This study specifically focuses on measuring near-surface profile shapes as well as total implant doses for ultra-shallow B implants in Si especially those made with high peak B concentrations

Multi-dimensional TOF-SIMS analysis for effective profiling of disease-related ions from the tissue surface.

Science.gov (United States)

Park, Ji-Won; Jeong, Hyobin; Kang, Byeongsoo; Kim, Su Jin; Park, Sang Yoon; Kang, Sokbom; Kim, Hark Kyun; Choi, Joon Sig; Hwang, Daehee; Lee, Tae Geol

2015-06-05

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) emerges as a promising tool to identify the ions (small molecules) indicative of disease states from the surface of patient tissues. In TOF-SIMS analysis, an enhanced ionization of surface molecules is critical to increase the number of detected ions. Several methods have been developed to enhance ionization capability. However, how these methods improve identification of disease-related ions has not been systematically explored. Here, we present a multi-dimensional SIMS (MD-SIMS) that combines conventional TOF-SIMS and metal-assisted SIMS (MetA-SIMS). Using this approach, we analyzed cancer and adjacent normal tissues first by TOF-SIMS and subsequently by MetA-SIMS. In total, TOF- and MetA-SIMS detected 632 and 959 ions, respectively. Among them, 426 were commonly detected by both methods, while 206 and 533 were detected uniquely by TOF- and MetA-SIMS, respectively. Of the 426 commonly detected ions, 250 increased in their intensities by MetA-SIMS, whereas 176 decreased. The integrated analysis of the ions detected by the two methods resulted in an increased number of discriminatory ions leading to an enhanced separation between cancer and normal tissues. Therefore, the results show that MD-SIMS can be a useful approach to provide a comprehensive list of discriminatory ions indicative of disease states.

Subcellular boron and fluorine distributions with SIMS ion microscopy in BNCT and cancer research

Energy Technology Data Exchange (ETDEWEB)

Subhash Chandra

2008-05-30

The development of a secondary ion mass spectrometry (SIMS) based technique of Ion Microscopy in boron neutron capture therapy (BNCT) was the main goal of this project, so that one can study the subcellular location of boron-10 atoms and their partitioning between the normal and cancerous tissue. This information is fundamental for the screening of boronated drugs appropriate for neutron capture therapy of cancer. Our studies at Cornell concentrated mainly on studies of glioblastoma multiforme (GBM). The early years of the grant were dedicated to the development of cryogenic methods and correlative microscopic approaches so that a reliable subcellular analysis of boron-10 atoms can be made with SIMS. In later years SIMS was applied to animal models and human tissues of GBM for studying the efficacy of potential boronated agents in BNCT. Under this grant the SIMS program at Cornell attained a new level of excellence and collaborative SIMS studies were published with leading BNCT researchers in the U.S.

Subcellular boron and fluorine distributions with SIMS ion microscopy in BNCT and cancer research

International Nuclear Information System (INIS)

Subhash, Chandra

2008-01-01

The development of a secondary ion mass spectrometry (SIMS) based technique of Ion Microscopy in boron neutron capture therapy (BNCT) was the main goal of this project, so that one can study the subcellular location of boron-10 atoms and their partitioning between the normal and cancerous tissue. This information is fundamental for the screening of boronated drugs appropriate for neutron capture therapy of cancer. Our studies at Cornell concentrated mainly on studies of glioblastoma multiforme (GBM). The early years of the grant were dedicated to the development of cryogenic methods and correlative microscopic approaches so that a reliable subcellular analysis of boron-10 atoms can be made with SIMS. In later years SIMS was applied to animal models and human tissues of GBM for studying the efficacy of potential boronated agents in BNCT. Under this grant the SIMS program at Cornell attained a new level of excellence and collaborative SIMS studies were published with leading BNCT researchers in the U.S.

OpenSimRoot: widening the scope and application of root architectural models.

Science.gov (United States)

Postma, Johannes A; Kuppe, Christian; Owen, Markus R; Mellor, Nathan; Griffiths, Marcus; Bennett, Malcolm J; Lynch, Jonathan P; Watt, Michelle

2017-08-01

OpenSimRoot is an open-source, functional-structural plant model and mathematical description of root growth and function. We describe OpenSimRoot and its functionality to broaden the benefits of root modeling to the plant science community. OpenSimRoot is an extended version of SimRoot, established to simulate root system architecture, nutrient acquisition and plant growth. OpenSimRoot has a plugin, modular infrastructure, coupling single plant and crop stands to soil nutrient and water transport models. It estimates the value of root traits for water and nutrient acquisition in environments and plant species. The flexible OpenSimRoot design allows upscaling from root anatomy to plant community to estimate the following: resource costs of developmental and anatomical traits; trait synergisms; and (interspecies) root competition. OpenSimRoot can model three-dimensional images from magnetic resonance imaging (MRI) and X-ray computed tomography (CT) of roots in soil. New modules include: soil water-dependent water uptake and xylem flow; tiller formation; evapotranspiration; simultaneous simulation of mobile solutes; mesh refinement; and root growth plasticity. OpenSimRoot integrates plant phenotypic data with environmental metadata to support experimental designs and to gain a mechanistic understanding at system scales. © 2017 The Authors. New Phytologist © 2017 New Phytologist Trust.

Co-Registered In Situ Secondary Electron and Mass Spectral Imaging on the Helium Ion Microscope Demonstrated Using Lithium Titanate and Magnesium Oxide Nanoparticles.

Science.gov (United States)

Dowsett, D; Wirtz, T

2017-09-05

The development of a high resolution elemental imaging platform combining coregistered secondary ion mass spectrometry and high resolution secondary electron imaging is reported. The basic instrument setup and operation are discussed and in situ image correlation is demonstrated on a lithium titanate and magnesium oxide nanoparticle mixture. The instrument uses both helium and neon ion beams generated by a gas field ion source to irradiate the sample. Both secondary electrons and secondary ions may be detected. Secondary ion mass spectrometry (SIMS) is performed using an in-house developed double focusing magnetic sector spectrometer with parallel detection. Spatial resolutions of 10 nm have been obtained in SIMS mode. Both the secondary electron and SIMS image data are very surface sensitive and have approximately the same information depth. While the spatial resolutions are approximately a factor of 10 different, switching between the different images modes may be done in situ and extremely rapidly, allowing for simple imaging of the same region of interest and excellent coregistration of data sets. The ability to correlate mass spectral images on the 10 nm scale with secondary electron images on the nanometer scale in situ has the potential to provide a step change in our understanding of nanoscale phenomena in fields from materials science to life science.

Analysis and imaging of biocidal agrochemicals using ToF-SIMS.

Science.gov (United States)

Converso, Valerio; Fearn, Sarah; Ware, Ecaterina; McPhail, David S; Flemming, Anthony J; Bundy, Jacob G

2017-09-06

ToF-SIMS has been increasingly widely used in recent years to look at biological matrices, in particular for biomedical research, although there is still a lot of development needed to maximise the value of this technique in the life sciences. The main issue for biological matrices is the complexity of the mass spectra and therefore the difficulty to specifically and precisely detect analytes in the biological sample. Here we evaluated the use of ToF-SIMS in the agrochemical field, which remains a largely unexplored area for this technique. We profiled a large number of biocidal active ingredients (herbicides, fungicides, and insecticides); we then selected fludioxonil, a halogenated fungicide, as a model compound for more detailed study, including the effect of co-occurring biomolecules on detection limits. There was a wide range of sensitivity of the ToF-SIMS for the different active ingredient compounds, but fludioxonil was readily detected in real-world samples (wheat seeds coated with a commercial formulation). Fludioxonil did not penetrate the seed to any great depth, but was largely restricted to a layer coating the seed surface. ToF-SIMS has clear potential as a tool for not only detecting biocides in biological samples, but also mapping their distribution.

[Imaging Mass Spectrometry in Histopathologic Analysis].

Science.gov (United States)

Yamazaki, Fumiyoshi; Seto, Mitsutoshi

2015-04-01

Matrix-assisted laser desorption/ionization (MALDI)-imaging mass spectrometry (IMS) enables visualization of the distribution of a range of biomolecules by integrating biochemical information from mass spectrometry with positional information from microscopy. IMS identifies a target molecule. In addition, IMS enables global analysis of biomolecules containing unknown molecules by detecting the ratio of the molecular weight to electric charge without any target, which makes it possible to identify novel molecules. IMS generates data on the distribution of lipids and small molecules in tissues, which is difficult to visualize with either conventional counter-staining or immunohistochemistry. In this review, we firstly introduce the principle of imaging mass spectrometry and recent advances in the sample preparation method. Secondly, we present findings regarding biological samples, especially pathological ones. Finally, we discuss the limitations and problems of the IMS technique and clinical application, such as in drug development.

Imaging Mass Spectrometry in Neuroscience

Science.gov (United States)

2013-01-01

Imaging mass spectrometry is an emerging technique of great potential for investigating the chemical architecture in biological matrices. Although the potential for studying neurobiological systems is evident, the relevance of the technique for application in neuroscience is still in its infancy. In the present Review, a principal overview of the different approaches, including matrix assisted laser desorption ionization and secondary ion mass spectrometry, is provided with particular focus on their strengths and limitations for studying different neurochemical species in situ and in vitro. The potential of the various approaches is discussed based on both fundamental and biomedical neuroscience research. This Review aims to serve as a general guide to familiarize the neuroscience community and other biomedical researchers with the technique, highlighting its great potential and suitability for comprehensive and specific chemical imaging. PMID:23530951

A novel ToF-SIMS operation mode for sub 100 nm lateral resolution: Application and performance

International Nuclear Information System (INIS)

Kubicek, Markus; Holzlechner, Gerald; Opitz, Alexander K.; Larisegger, Silvia; Hutter, Herbert; Fleig, Jürgen

2014-01-01

A novel operation mode for time of flight-secondary ion mass spectrometry (ToF-SIMS) is described for a TOF.SIMS 5 instrument with a Bi-ion gun. It features sub 100 nm lateral resolution, adjustable primary ion currents and the possibility to measure with high lateral resolution as well as high mass resolution. The adjustment and performance of the novel operation mode are described and compared to established ToF-SIMS operation modes. Several examples of application featuring novel scientific results show the capabilities of the operation mode in terms of lateral resolution, accuracy of isotope analysis of oxygen, and combination of high lateral and mass resolution. The relationship between high lateral resolution and operation of SIMS in static mode is discussed.

Secondary-ion mass spectrometry: some applications in the analysis of nuclear material

International Nuclear Information System (INIS)

Christie, W.H.; Eby, R.E.; Warmack, R.J.; Landau, L.

1981-01-01

Secondary ion mass spectrometry (SIMS) has been shown to offer some significant advantages over conventional mass spectrometry for the analysis of radioactive samples. We have used SIMS for the rapid, accurate analysis of B, Li, Cs, U and Pu in various nuclear materials. In many instances, SIMS allows one to perform mass and isotopic analysis on samples that are not amenable to other mass spectrometric techniques (e.g., surface ionization, electron impact, etc.). The significant advantage that accrues from the use of SIMS for isotopic analysis of these materials is the cmplete elimination of any chemical sample preparation steps, and only sample dissolution is necessary for the application of isotope dilution methods for quantitative analysis. The high sensitivity of SIMS for B, Li, U and Pu makes it possible to analyze sufficiently small radioactive samples so that radiation is reduced to acceptable levels for safe handling. The precision of SIMS isotopic analysis for natural B samples is about 0.5% and is about 1% for natural Li samples

An AFM-SIMS Nano Tomography Acquisition System

Science.gov (United States)

Swinford, Richard William

An instrument, adding the capability to measure 3D volumetric chemical composition, has been constructed by me as a member of the Sanchez Nano Laboratory. The laboratory's in situ atomic force microscope (AFM) and secondary ion mass spectrometry systems (SIMS) are functional and integrated as one instrument. The SIMS utilizes a Ga focused ion beam (FIB) combined with a quadrupole mass analyzer. The AFM is comprised of a 6-axis stage, three coarse axes and three fine. The coarse stage is used for placing the AFM tip anywhere inside a (13x13x5 mm3) (xyz) volume. Thus the tip can be moved in and out of the FIB processing region with ease. The planned range for the Z-axis piezo was 60 microm, but was reduced after it was damaged from arc events. The repaired Z-axis piezo is now operated at a smaller nominal range of 18 microm (16.7 microm after pre-loading), still quite respectable for an AFM. The noise floor of the AFM is approximately 0.4 nm Rq. The voxel size for the combined instrument is targeted at 50 nm or larger. Thus 0.4 nm of xyz uncertainty is acceptable. The instrument has been used for analyzing samples using FIB beam currents of 250 pA and 5.75 nA. Coarse tip approaches can take a long time so an abbreviated technique is employed. Because of the relatively long thro of the Z piezo, the tip can be disengaged by deactivating the servo PID. Once disengaged, it can be moved laterally out of the way of the FIB-SIMS using the coarse stage. This instrument has been used to acquire volumetric data on AlTiC using AFM tip diameters of 18.9 nm and 30.6 nm. Acquisition times are very long, requiring multiple days to acquire a 50-image stack. New features to be added include auto stigmation, auto beam shift, more software automation, etc. Longer term upgrades to include a new lower voltage Z-piezo with strain-gauge feedback and a new design to extend the life for the coarse XY nano-positioners. This AFM-SIMS instrument, as constructed, has proven to be a great proof

Resonance ionization mass spectrometry of ion beam sputtered neutrals for element- and isotope-selective analysis of plutonium in micro-particles

Energy Technology Data Exchange (ETDEWEB)

Erdmann, N. [Institute for Transuranium Elements, European Commission Joint Research Centre, Karlsruhe (Germany); Kratz, J.V.; Trautmann, N. [Johannes Gutenberg-University Mainz, Institute of Nuclear Chemistry, Mainz (Germany); Passler, G. [Johannes Gutenberg-University Mainz, Institute of Physics, Mainz (Germany)

2009-11-15

Micro-particles containing actinides are of interest for risk assessments of contaminated areas, nuclear forensic analyses, and IAEA as well as Euratom safeguards programs. For their analysis, secondary ion mass spectrometry (SIMS) has been established as the state-of-the-art standard technique. In the case of actinide mixtures within the particles, however, SIMS suffers from isobaric interferences (e.g., {sup 238}U/{sup 238}Pu, {sup 241}Am/{sup 241}Pu). This can be eliminated by applying resonance ionization mass spectrometry which is based on stepwise resonant excitation and ionization of atoms with laser light, followed by mass spectrometric detection of the produced ions, combining high elemental selectivity with the analysis of isotopic compositions. This paper describes the instrumental modifications for coupling a commercial time-of-flight (TOF)-SIMS apparatus with three-step resonant post-ionization of the sputtered neutrals using a high-repetition-rate (kHz) Nd:YAG laser pumped tunable titanium:sapphire laser system. Spatially resolved ion images obtained from actinide-containing particles in TOF-SIMS mode demonstrate the capability for isotopic and spatial resolution. Results from three-step resonant post-ionization of bulk Gd and Pu samples successfully demonstrate the high elemental selectivity of this process. (orig.)

SIMS analysis: Development and evaluation 1995 summary report

International Nuclear Information System (INIS)

Groenewold, G.S.; Appelhans, A.D.; Ingram, J.C.; Delmore, J.E.; Dahl, D.A.

1995-10-01

Secondary ion mass spectrometry (SIMS) was evaluated for characterizing Hg salts. It was found that sulfate and chloride species could be identified directly without sample preparation. Mercuric oxide could be identified by complexation with formic acid. Hg nitrates could be identified by complexation with cyclohexylamine (CHA). Laser desorption ion trap MS was evaluated for characterizing EDTA on environmental samples. No intact EDTA ions were observed, but a series of EDTA fragment ions were visible, particularly on basalt and soil. An ion trap SIMS was developed: a perrhenate ion gun was interfaced to a Teledyne ion trap spectrometer, and the entire device was mounted on a cart. The technology was demonstrated using a prototype ion trap SIMS instrument for detecting Hg·CHA complexes formed from nitrate salts. Intensity of the ion gun was improved, and the surface damage of the particle was small, and ion gun technology transfer to Phi-Evans, Inc. is being considered. Two technology end users are at INEL's Central Facilities Area 674 pond and acid pit of the Radioactive Waste Management Complex; target problem at both sites is the need for Hg speciation on soil samples

Proteomic Mass Spectrometry Imaging for Skin Cancer Diagnosis.

Science.gov (United States)

Lazova, Rossitza; Seeley, Erin H

2017-10-01

Mass spectrometry imaging can be successfully used for skin cancer diagnosis, particularly for the diagnosis of challenging melanocytic lesions. This method analyzes proteins within benign and malignant melanocytic tumor cells and, based on their differences, which constitute a unique molecular signature of 5 to 20 proteins, can render a diagnosis of benign nevus versus malignant melanoma. Mass spectrometry imaging may assist in the differentiation between metastases and nevi as well as between proliferative nodules in nevi and melanoma arising in a nevus. In the difficult area of atypical Spitzoid neoplasms, mass spectrometry diagnosis can predict clinical outcome better than histopathology. Copyright © 2017 Elsevier Inc. All rights reserved.

A novel ToF-SIMS operation mode for sub 100 nm lateral resolution: Application and performance.

Science.gov (United States)

Kubicek, Markus; Holzlechner, Gerald; Opitz, Alexander K; Larisegger, Silvia; Hutter, Herbert; Fleig, Jürgen

2014-01-15

A novel operation mode for time of flight-secondary ion mass spectrometry (ToF-SIMS) is described for a TOF.SIMS 5 instrument with a Bi-ion gun. It features sub 100 nm lateral resolution, adjustable primary ion currents and the possibility to measure with high lateral resolution as well as high mass resolution. The adjustment and performance of the novel operation mode are described and compared to established ToF-SIMS operation modes. Several examples of application featuring novel scientific results show the capabilities of the operation mode in terms of lateral resolution, accuracy of isotope analysis of oxygen, and combination of high lateral and mass resolution. The relationship between high lateral resolution and operation of SIMS in static mode is discussed.

Final LDRD report : development of sample preparation methods for ChIPMA-based imaging mass spectrometry of tissue samples.

Energy Technology Data Exchange (ETDEWEB)

Maharrey, Sean P.; Highley, Aaron M.; Behrens, Richard, Jr.; Wiese-Smith, Deneille

2007-12-01

The objective of this short-term LDRD project was to acquire the tools needed to use our chemical imaging precision mass analyzer (ChIPMA) instrument to analyze tissue samples. This effort was an outgrowth of discussions with oncologists on the need to find the cellular origin of signals in mass spectra of serum samples, which provide biomarkers for ovarian cancer. The ultimate goal would be to collect chemical images of biopsy samples allowing the chemical images of diseased and nondiseased sections of a sample to be compared. The equipment needed to prepare tissue samples have been acquired and built. This equipment includes an cyro-ultramicrotome for preparing thin sections of samples and a coating unit. The coating unit uses an electrospray system to deposit small droplets of a UV-photo absorbing compound on the surface of the tissue samples. Both units are operational. The tissue sample must be coated with the organic compound to enable matrix assisted laser desorption/ionization (MALDI) and matrix enhanced secondary ion mass spectrometry (ME-SIMS) measurements with the ChIPMA instrument Initial plans to test the sample preparation using human tissue samples required development of administrative procedures beyond the scope of this LDRD. Hence, it was decided to make two types of measurements: (1) Testing the spatial resolution of ME-SIMS by preparing a substrate coated with a mixture of an organic matrix and a bio standard and etching a defined pattern in the coating using a liquid metal ion beam, and (2) preparing and imaging C. elegans worms. Difficulties arose in sectioning the C. elegans for analysis and funds and time to overcome these difficulties were not available in this project. The facilities are now available for preparing biological samples for analysis with the ChIPMA instrument. Some further investment of time and resources in sample preparation should make this a useful tool for chemical imaging applications.

Silver nanostructures in laser desorption/ionization mass spectrometry and mass spectrometry imaging.

Science.gov (United States)

Sekuła, Justyna; Nizioł, Joanna; Rode, Wojciech; Ruman, Tomasz

2015-09-21

Silver nanoparticles have been successfully applied as a matrix replacement for the laser desorption/ionization time-of-flight mass spectrometry (LDI-ToF-MS). Nanoparticles, producing spectra with highly reduced chemical background in the low m/z region, are perfectly suited for low-molecular weight compound analysis and imaging. Silver nanoparticles (AgNPs) can efficiently absorb ultraviolet laser radiation, transfer energy to the analyte and promote analyte desorption, but also constitute a source of silver ions suitable for analyte cationisation. This review provides an overview of the literature on silver nanomaterials as non-conventional desorption and ionization promoters in LDI-MS and mass spectrometry imaging.

Issues and opportunities in accelerator mass spectrometry for stable isotopes.

Science.gov (United States)

Matteson, Sam

2008-01-01

Accelerator mass spectrometry (AMS) has developed in the last 30 years many notable applications to the spectrometry of radioisotopes, particularly in radiocarbon dating. The instrumentation science of trace element AMS (TEAMS) that analyzes stable isotopes, also called Accelerator SIMS or MegaSIMS, while unique in many features, has also shared in many of these significant advances and has pushed TEAMS sensitivity to concentration levels surpassing many competing mass spectroscopic technologies. This review examines recent instrumentation developments, the capabilities of the new instrumentation and discernable trends for future development. Copyright 2008 Wiley Periodicals, Inc.

Combining combing and secondary ion mass spectrometry to study DNA on chips using 13C and 15N labeling [version 1; referees: 2 approved

Directory of Open Access Journals (Sweden)

Armelle Cabin-Flaman

2016-06-01

Full Text Available Dynamic secondary ion mass spectrometry (D-SIMS imaging of combed DNA – the combing, imaging by SIMS or CIS method – has been developed previously using a standard NanoSIMS 50 to reveal, on the 50 nm scale, individual DNA fibers labeled with different, non-radioactive isotopes in vivo and to quantify these isotopes. This makes CIS especially suitable for determining the times, places and rates of DNA synthesis as well as the detection of the fine-scale re-arrangements of DNA and of molecules associated with combed DNA fibers. Here, we show how CIS may be extended to 13C-labeling via the detection and quantification of the 13C14N- recombinant ion and the use of the 13C:12C ratio, we discuss how CIS might permit three successive labels, and we suggest ideas that might be explored using CIS.

Absorption Mode FT-ICR Mass Spectrometry Imaging

Energy Technology Data Exchange (ETDEWEB)

Smith, Donald F.; Kilgour, David P.; Konijnenburg, Marco; O' Connor, Peter B.; Heeren, Ronald M.

2013-12-03

Fourier transform ion cyclotron resonance mass spectrometry offers the highest mass resolving power for molecular imaging experiments. This high mass resolving power ensures that closely spaced peaks at the same nominal mass are resolved for proper image generation. Typically higher magnetic fields are used to increase mass resolving power. However, a gain in mass resolving power can also be realized by phase correction of the data for absorption mode display. In addition to mass resolving power, absorption mode offers higher mass accuracy and signal-to-noise ratio over the conventional magnitude mode. Here we present the first use of absorption mode for Fourier transform ion cyclotron resonance mass spectrometry imaging. The Autophaser algorithm is used to phase correct each spectrum (pixel) in the image and then these parameters are used by the Chameleon work-flow based data processing software to generate absorption mode ?Datacubes? for image and spectral viewing. Absorption mode reveals new mass and spatial features that are not resolved in magnitude mode and results in improved selected ion image contrast.

Development of a software system for spatial resolved trace analysis of high performance materials with SIMS

International Nuclear Information System (INIS)

Brunner, Ch. H.

1997-09-01

The following work is separated into two distinctly different parts. The first one is dealing with the SIMSScan software project, an application system for secondary ion mass spectrometry. This application system primarily lays down the foundation, for the research activity introduced in the second part of this work. SIMSScan is an application system designed to provide data acquisition routines for different requirements in the field of secondary ion mass spectroscopy. The whole application package is divided into three major sections, each one dealing with specific measurement tasks. Various supporting clients and wizards, providing extended functionality to the main application, build the core of the software. The MassScan as well as the DepthScan module incorporate the SIMS in the direct imaging or stigmatic mode and are featuring the capabilities for mass spectra recording or depth profile analysis. In combination with an image recording facility the DepthScan module features the capability of spatial resolved material analysis - 3D SIMS. The RasterScan module incorporates the SIMS in scanning mode and supports an fiber optical link for optimized data transfer. The primary goal of this work is to introduce the basic ideas behind the implementation of the main application modules and the supporting clients. Furthermore, it is the intention to lay down the foundation for further developments. At the beginning a short introduction into the paradigm of object oriented programming as well as Windows TM programming is given. Besides explaining the basic ideas behind the Doc/View application architecture the focus is mainly shifted to the routines controlling the SIMS hardware and the basic concepts of multithreaded programming. The elementary structures of the view and document objects is discussed in detail only for the MassScan module, because the ideas behind data abstraction and encapsulation are quite similar. The second part introduces the research activities

Installation of a shielded SIMS in CEA Cadarache

International Nuclear Information System (INIS)

Desgranges, L.; Pasquet, B.; Rasser, B.

2002-01-01

A shielded SIMS 6f has been installed in the LECA in 1999 and will examine nuclear fuels before the end of this year. Meanwhile several studies have been realised to test its technical performance for nuclear materials analysis. After a brief presentation of the design of the shielded SIMS, five examples of preliminary results will be underlined. In the nuclear field, SIMS is currently used for the analysis of Zircaloy cladding corrosion because it can detect light elements like boron or lithium. More than a quantitative measurement of isotopes, it was possible with our SIMS to produce a two dimension image of the corrosion layer focusing on the protective layer. SIMS has also the advantage to detect isotopes with a low concentration. This property will be enlightened with some results obtained on sulphur in UO 2 . Because SIMS uses the erosion of the sample surface, it is possible to make depth profile. This possibility will be demonstrated on water altered glass samples on which the altered layer will be evidenced on depth profile. The last application of SIMS presented in the paper is addressed to nuclear fuel with detection of xenon. Fission gases release is indeed of first importance for nuclear fuel because it affects fuel swelling, rod internal pressure, fuel thermal conductivity via the formation of pores etc. We have demonstrated that it was possible to measure xenon on an unirradiated UO 2 sample implanted with xenon. It was also proved that xenon could be measured in gaseous state, which would make possible the measurement of xenon filling pores. (author)

Metabolic activity of uncultivated magnetotactic bacteria revealed by NanoSIMS

Science.gov (United States)

He, M.; Zhang, W.; Gu, L.; Pan, Y.; Lin, W.

2017-12-01

Microorganisms that exhibit magnetotaxis behavior, collectively known as the magnetotactic bacteria (MTB), are those whose motility is influenced by the Earth's magnetic field. MTB are a physiologically diverse group of bacteria with a unique feature of intracellular biomineralization of magnetosomes (Fe3O4 and/or Fe3S4) (Bazylinski et al., 2013). However, the ecophysiology of uncultivated MTB, especially those within the Nitrospirae phylum forming hundreds of bullet-shaped magnetite magnetosomes per cell, is still not well characterized (Lin et al., 2014). Nanoscale secondary ion mass spectrometry (NanoSIMS) is a powerful tool for revealing element distribution in nanometer-scale resolution, which opens exciting possibilities for the study of interactions between microorganisms and environments (Gao et al., 2016; Musat et al., 2016). Here we applied NanoSIMS to investigate the dynamics of carbon and nitrogen assimilations in two magnetotactic Nitrospirae populations at single cell level. Our NanoSIMS results confirmed the metabolic potential of Nitrospirae MTB proposed by genomic and metagenomic analysis and provided additional insights into the ecophysiology of uncultivated MTB. This study suggests that NanoSIMS-based analyses are powerful approaches for investigating and characterizing the ecological function of environmental microorganisms. References: Bazylinski D A., Lefèvre, C T., Schüler D., 2013. Magnetotactic Bacteria. 453-494.Lin W, Bazylinski DA, Xiao T, Wu L- F, Pan Y., 2014. Life with compass: diversity and biogeography of magnetotactic bacteria. Environ Microbiol, 16: 1462-2920.Gao D., Huang X., Tao Y., 2016. A critical review of NanoSIMS in analysis of microbial metabolic activities at single-cell level. Crit Rev Biotechnol, 36: 884-890.Musat N., Musat F., Weber PK., Pett-Ridge J., 2016. Tracking microbial interactions with NanoSIMS. Curr Opin Biotechnol, 41: 114-121.

imzML: Imaging Mass Spectrometry Markup Language: A common data format for mass spectrometry imaging.

Science.gov (United States)

Römpp, Andreas; Schramm, Thorsten; Hester, Alfons; Klinkert, Ivo; Both, Jean-Pierre; Heeren, Ron M A; Stöckli, Markus; Spengler, Bernhard

2011-01-01

Imaging mass spectrometry is the method of scanning a sample of interest and generating an "image" of the intensity distribution of a specific analyte. The data sets consist of a large number of mass spectra which are usually acquired with identical settings. Existing data formats are not sufficient to describe an MS imaging experiment completely. The data format imzML was developed to allow the flexible and efficient exchange of MS imaging data between different instruments and data analysis software.For this purpose, the MS imaging data is divided in two separate files. The mass spectral data is stored in a binary file to ensure efficient storage. All metadata (e.g., instrumental parameters, sample details) are stored in an XML file which is based on the standard data format mzML developed by HUPO-PSI. The original mzML controlled vocabulary was extended to include specific parameters of imaging mass spectrometry (such as x/y position and spatial resolution). The two files (XML and binary) are connected by offset values in the XML file and are unambiguously linked by a universally unique identifier. The resulting datasets are comparable in size to the raw data and the separate metadata file allows flexible handling of large datasets.Several imaging MS software tools already support imzML. This allows choosing from a (growing) number of processing tools. One is no longer limited to proprietary software, but is able to use the processing software which is best suited for a specific question or application. On the other hand, measurements from different instruments can be compared within one software application using identical settings for data processing. All necessary information for evaluating and implementing imzML can be found at http://www.imzML.org .

Application of SIMS to the analysis of environmental samples

International Nuclear Information System (INIS)

Seyama, Haruhiko

2003-01-01

As an example of surface analysis of environmental samples, SIMS was applied to airborne particulates, fish otoliths (a calcareous ear-stone) and biotites (a rock-forming aluminosilicate mineral). Airborne particulates deposited on leaf surface were analyzed directly by fast atom bombardment (FAB)-SIMS using an O 2 primary neutral beam. Some metal elements, such as Pb, of aerosol origin could be detected. Local areas of a thin section of an otolith were analyzed by FAB-SIMS. Line scans and images of secondary ions revealed seasonal periodicity in Sr, Na and K concentrations in the otolith that corresponded to the annual band structure. Surface alteration of acid-treated and naturally weathered biotites was studied by SIMS depth profiling using an O - primary ion. The depth profile of the acid-treated biotite showed the formation of an altered surface layer rich in Si. In contrast a thick altered surface layer was not observed and Al was held on the surface under natural weathering

SimPhospho: a software tool enabling confident phosphosite assignment.

Science.gov (United States)

Suni, Veronika; Suomi, Tomi; Tsubosaka, Tomoya; Imanishi, Susumu Y; Elo, Laura L; Corthals, Garry L

2018-03-27

Mass spectrometry combined with enrichment strategies for phosphorylated peptides has been successfully employed for two decades to identify sites of phosphorylation. However, unambiguous phosphosite assignment is considered challenging. Given that site-specific phosphorylation events function as different molecular switches, validation of phosphorylation sites is of utmost importance. In our earlier study we developed a method based on simulated phosphopeptide spectral libraries, which enables highly sensitive and accurate phosphosite assignments. To promote more widespread use of this method, we here introduce a software implementation with improved usability and performance. We present SimPhospho, a fast and user-friendly tool for accurate simulation of phosphopeptide tandem mass spectra. Simulated phosphopeptide spectral libraries are used to validate and supplement database search results, with a goal to improve reliable phosphoproteome identification and reporting. The presented program can be easily used together with the Trans-Proteomic Pipeline and integrated in a phosphoproteomics data analysis workflow. SimPhospho is available for Windows, Linux and Mac operating systems at https://sourceforge.net/projects/simphospho/. It is open source and implemented in C ++. A user's manual with detailed description of data analysis using SimPhospho as well as test data can be found as supplementary material of this article. Supplementary data are available at https://www.btk.fi/research/ computational-biomedicine/software/.

Automated, parallel mass spectrometry imaging and structural identification of lipids

DEFF Research Database (Denmark)

Ellis, Shane R.; Paine, Martin R.L.; Eijkel, Gert B.

2018-01-01

We report a method that enables automated data-dependent acquisition of lipid tandem mass spectrometry data in parallel with a high-resolution mass spectrometry imaging experiment. The method does not increase the total image acquisition time and is combined with automatic structural assignments....... This lipidome-per-pixel approach automatically identified and validated 104 unique molecular lipids and their spatial locations from rat cerebellar tissue....

Ultra-low energy Ar+ beam applied for SIMS depth profile analysis of layered nanostructures

International Nuclear Information System (INIS)

Konarski, P.; Mierzejewska, A.; Iwanejko, I.

2001-01-01

Secondary ion mass spectrometry (SIMS) depth profile analyses of flat layered nanostructures: 10 nm Ta 2 O 3 /Ta and 20 nm (10 x B 4 C/Mo)/Si as well as microparticles of core (illite) - shell (rutile) structure, performed with the use of ultra-low energy ion beam (180-880 eV, Ar + ), are presented. The profiles were obtained using 'mesa' scanning technique and also sample rotation. Depth profile resolution below 1 nanometer was obtained for flat nanostructures. Presented experimental results are compared with Monte Carlo sputtering simulations of analysed structures. A method of finding beam energy, optimal for the best resolution SIMS depth profile analysis, is suggested. (author)

A comparative ToF-SIMS and GC–MS analysis of phototrophic communities collected from an alkaline silica-depositing hot spring

Energy Technology Data Exchange (ETDEWEB)

Siljeström, S.; Parenteau, M. N.; Jahnke, L. L.; Cady, S. L.

2017-07-01

One of few techniques that is able to spatially resolve chemical data, including organic molecules, to morphological features in modern and ancient geological samples, is time-of-flight secondary ion mass spectrometry (ToF-SIMS). The ability to connect chemical data to morphology is key for interpreting the biogenicity of preserved remains in ancient samples. However, due to the lack of reference data for geologically relevant samples and the ease with which samples can be contaminated, ToF-SIMS data may be difficult to interpret. In this project, we aimed to build a ToF-SIMS spectral database by performing parallel ToF-SIMS and gas chromatography–mass spectrometry (GC–MS) analyses of extant photosynthetic microbial communities collected from an alkaline silica-depositing hot spring in Yellowstone National Park, USA. We built the library by analyzing samples of increasing complexity: pure lipid standards commonly found in thermophilic phototrophs, solvent extracts of specific lipid fractions, total lipid extracts, pure cultures of dominant phototrophic community members, and unsilicified phototrophic streamer communities. The results showed that important lipids and pigments originating from phototrophs were detected by ToF-SIMS (e.g., wax esters, monogalactosyldiacylglycerol, digalactosyldiacylglycerol, sufloquinovosyldiaglycerol, alkanes, etc.) in the streamer lipid extracts. Many of the lipids were also detected in situ in the unsilicified streamer, and could even be spatially resolved to individual cells within the streamer community. Together with the ToF-SIMS database, this mapping ability will be used to further explore other microbial mats and their fossilized counterparts in the geological record. This is likely to expand the geochemical understanding of these types of samples.

Compositional changes of human hair melanin resulting from bleach treatment investigated by nanoscale secondary ion mass spectrometry.

Science.gov (United States)

Kojima, Toru; Yamada, Hiromi; Isobe, Mitsuru; Yamamoto, Toshihiko; Takeuchi, Miyuki; Aoki, Dan; Matsushita, Yasuyuki; Fukushima, Kazuhiko

2014-11-01

It is important to understand the influence of bleach treatment on human hair because it is one of the most important chemical treatments in hair cosmetic processes. A comparison of the elemental composition of melanin between virgin hair and bleached hair would provide important information about the structural changes of melanin. To investigate the elemental composition of melanin granules in virgin black hair and bleached hair, these hair cross-sections are analyzed by using a nanoscale secondary ion mass spectrometry (NanoSIMS). The virgin black hair and bleached hair samples were embedded in resin and smooth hair cross-sections were obtained using an ultramicrotome. NanoSIMS measurements were performed using a Cs(+) primary ion beam to detect negative secondary ions. More intensive (16) O(-) ions were detected from the melanin granules of bleached hair than from those of virgin black hair in NanoSIMS (16) O(-) ion image. In addition, it was indicated that (16) O(-) ion intensity and (16) O(-) /(12) C(14) N(-) ion intensity ratio of melanin granules in bleached hair were higher than those in virgin black hair. Nanoscale secondary ion mass spectrometry analysis of the cross-sections of virgin black hair and bleached hair indicated that the oxygen content in melanin granules was increased by bleach treatment. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Self Focusing SIMS: Probing thin film composition in very confined volumes

International Nuclear Information System (INIS)

Franquet, Alexis; Douhard, Bastien; Melkonyan, Davit; Favia, Paola; Conard, Thierry; Vandervorst, Wilfried

2016-01-01

Graphical abstract: - Highlights: • SiGe layers were grown in trenches of various widths (down to 20 nm) on Si substrate and surrounded by SiO 2 films. • Standard SIMS analysis to probe the composition in narrow trenches fails at dimensions less than a micron. • Self Focusing SIMS able to probe thin film composition in very confined volumes (dimension < 20 nm). - Abstract: The continued downscaling of micro and nanoelectronics devices has increased the importance of novel materials and their interfaces very strongly thereby necessitating the availability of adequate metrology and very tight process control as well. For instance, the introduction of materials like SiGe or III-V compounds leads to the need for the determination of the exact composition and thickness of the resulting thin films. Concurrent with this trend, one is faced with layer growth concepts such as aspect ratio trapping, which exploit the reduced dimensionality of the devices. As this leads to films with very different characteristics as compared to their blanket counterparts, characterization now has to be performed on thin films grown in very confined volumes (with dimensions ranging down to less than 10–20 nm) and standard analysis methods like X-Ray Photoelectron Spectroscopy, Secondary Ion Mass Spectrometry (SIMS) and Rutherford Backscattering Spectrometry, no longer seem applicable due to a lack of spatial resolution. On the other hand, techniques with appropriate spatial resolution like Atom Probe Tomography or Transmission Electron Microscopy are time consuming and suffer from a lack of sensitivity due to their highly localized analysis volume. In this paper, a novel concept termed Self Focusing SIMS, is presented which overcomes the spatial resolution limitations of SIMS without sacrificing the sensitivity. The concept is based on determining the composition of a specific compound using cluster ions which contain the constituents of the compound. Their formation mechanism implies

TOF-SIMS studies of yttria-stabilised zirconia

DEFF Research Database (Denmark)

Hansen, Karin Vels; Norrman, Kion; Mogensen, Mogens Bjerg

2006-01-01

The surface of an as-polished and an as-sintered yttria-stabilised zirconia pellet was analysed with XPS and TOF-SIMS (depth profiling and imaging) in order to study the distribution of impurities. The polished sample was slightly contaminated with Na, K, Mg and Ca. The sintered sample showed...

A new application of SIMS to the analysis of nitrogen in mica minerals: tobelite

International Nuclear Information System (INIS)

Ottolini, L P; Scordari, F; Mesto, E

2014-01-01

Muscovite, KAl 2 [AlSi 3 O 10 ](OH) 2 , is a common rock-forming mineral in igneous and metamorphic-rocks, sediments, hydrothermal alteration and ore deposits. The site between two adjacent T-O-T (tetrahedral-octahedral-tetrahedral) layers is shared between K and NH4 in all proportions leading to the building of the a mmonium micas . In this work three tobelite crystals were investigated in terms of major and minor constituents by electron probe microanalysis (EPMA) and in terms of nitrogen, for the first time at authors' knowledge, by secondary ion mass spectrometry (SIMS). The objective was that to gain information on the presence and amount of NH4 in this matrix. The lack of standards did not allow us to provide quantitative results at the ion microprobe. Nevertheless, the SIMS data agree qualitatively with constraints resulting from EPMA analyses and charge-balance crystal chemical considerations. The results of this study emphasize the capabilities of SIMS in the in-situ analysis of N and point out the possibility to develop reference materials (standards) for quantitative SIMS analysis of nitrogen in mica

Film thickness determining method of the silicon isotope superlattices by SIMS

International Nuclear Information System (INIS)

Takano, Akio; Shimizu, Yasuo; Itoh, Kohei M.

2008-01-01

It is becoming important to evaluate silicon self-diffusion with progress of a silicon semiconductor industry. In order to evaluate the self-diffusion of silicon, silicon isotope superlattices (SLs) is the only marker. For this reason, it is important to correctly evaluate a film thickness and a depth distribution of isotope SLs by secondary ion mass spectrometry (SIMS). As for film thickness, it is difficult to estimate the thicknesses correctly if the cycles of SLs are short. In this work, first, we report the determination of the film thickness for short-period SLs using mixing roughness-information (MRI) analysis to SIMS profile. Next, the uncertainty of the conventional method to determine the film thicknesses of SLs is determined. It was found that the conventional methods cannot correctly determine film thickness of short-period-isotope SLs where film thickness differs for every layer

Thermal ionisation mass spectrometry (TIMS): what, how and why?

International Nuclear Information System (INIS)

Aggarwal, S.K.

2002-01-01

Thermal ionisation mass spectrometry (TIMS) is one of the oldest mass spectrometric techniques, which has been used for determining the isotopic composition and concentration of different elements using isotope dilution. In spite of the introduction of many other inorganic mass spectrometric techniques like spark source mass spectrometry (SSMS), glow discharge mass spectrometry (GDMS), inductively coupled plasma-mass spectrometry (ICP-MS), secondary ion mass spectrometry (SIMS), the TIMS technique plays the role of a definitive analytical methodology and still occupies a unique position in terms of its capabilities with respect to precision and accuracy as well as sensitivity

Subcellular SIMS imaging of gadolinium isotopes in human glioblastoma cells treated with a gadolinium containing MRI agent

Science.gov (United States)

Smith, Duane R.; Lorey, Daniel R.; Chandra, Subhash

2004-06-01

Neutron capture therapy is an experimental binary radiotherapeutic modality for the treatment of brain tumors such as glioblastoma multiforme. Recently, neutron capture therapy with gadolinium-157 has gained attention, and techniques for studying the subcellular distribution of gadolinium-157 are needed. In this preliminary study, we have been able to image the subcellular distribution of gadolinium-157, as well as the other six naturally abundant isotopes of gadolinium, with SIMS ion microscopy. T98G human glioblastoma cells were treated for 24 h with 25 mg/ml of the metal ion complex diethylenetriaminepentaacetic acid Gd(III) dihydrogen salt hydrate (Gd-DTPA). Gd-DTPA is a contrast enhancing agent used for MRI of brain tumors, blood-brain barrier impairment, diseases of the central nervous system, etc. A highly heterogeneous subcellular distribution was observed for gadolinium-157. The nuclei in each cell were distinctly lower in gadolinium-157 than in the cytoplasm. Even within the cytoplasm the gadolinium-157 was heterogeneously distributed. The other six naturally abundant isotopes of gadolinium were imaged from the same cells and exhibited a subcellular distribution consistent with that observed for gadolinium-157. These observations indicate that SIMS ion microscopy may be a viable approach for subcellular studies of gadolinium containing neutron capture therapy drugs and may even play a major role in the development and validation of new gadolinium contrast enhancing agents for diagnostic MRI applications.

Surface studies on uranium monocarbide using XPS and SIMS

International Nuclear Information System (INIS)

Asuvathraman, R.

1995-01-01

The air-exposed surfaces of sintered and arc-melted UC samples were examined by XPS and SIMS. XPS results indicate that the surface is covered with a very thin layer of UO 2 mixed with free carbon, which would have formed along with the oxide during the reaction between UC and oxygen or moisture. From the SIMS depth profile of oxygen, the thickness of the oxide layer is found to be approximately 10 nm. The SIMS oxygen images of the surface as a function of etching time reveal that the surface of UC consists of a top layer of adsorbed moisture/oxygen; this contamination layer is followed by a layer containing uranium oxide, uranium hydroxide and free carbon and then grain boundary oxide and finally bulk UC. The behaviour of sintered and arc-melted samples is similar. ((orig.))

Mass Spectrometry Imaging under Ambient Conditions

Science.gov (United States)

Wu, Chunping; Dill, Allison L.; Eberlin, Livia S.; Cooks, R. Graham; Ifa, Demian R.

2012-01-01

Mass spectrometry imaging (MSI) has emerged as an important tool in the last decade and it is beginning to show potential to provide new information in many fields owing to its unique ability to acquire molecularly specific images and to provide multiplexed information, without the need for labeling or staining. In MSI, the chemical identity of molecules present on a surface is investigated as a function of spatial distribution. In addition to now standard methods involving MSI in vacuum, recently developed ambient ionization techniques allow MSI to be performed under atmospheric pressure on untreated samples outside the mass spectrometer. Here we review recent developments and applications of MSI emphasizing the ambient ionization techniques of desorption electrospray ionization (DESI), laser ablation electrospray ionization (LAESI), probe electrospray ionization (PESI), desorption atmospheric pressure photoionization (DAPPI), femtosecond laser desorption ionization (fs-LDI), laser electrospray mass spectrometry (LEMS), infrared laser ablation metastable-induced chemical ionization (IR-LAMICI), liquid microjunction surface sampling probe mass spectrometry (LMJ-SSP MS), nanospray desorption electrospray ionization (nano-DESI), and plasma sources such as the low temperature plasma (LTP) probe and laser ablation coupled to flowing atmospheric-pressure afterglow (LA-FAPA). Included are discussions of some of the features of ambient MSI including the ability to implement chemical reactions with the goal of providing high abundance ions characteristic of specific compounds of interest and the use of tandem mass spectrometry to either map the distribution of targeted molecules with high specificity or to provide additional MS information in the structural identification of compounds. We also describe the role of bioinformatics in acquiring and interpreting the chemical and spatial information obtained through MSI, especially in biological applications for tissue

Myofiber metabolic type determination by mass spectrometry imaging

OpenAIRE

Théron, Laetitia; Vénien, Annie; Pujos-Guillot, Estelle; Astruc, Thierry; Chambon, Christophe

2017-01-01

In muscle imaging, myofiber type determination is of great importance to better understand biological mechanisms related to skeletal muscle changes associated with pathologies. However, reference methods (histo-enzymology and immunohistochemistry) require serial-cross sections, and several days from the sampling to the results of image analysis. In this work, a strategy based on MALDI-Mass Spectrometry Imaging was developed as an alternative to the classical methods for myofiber metabolic typ...

KEY COMPARISONS: Final report: SIM regional comparison of ac-dc voltage transfer difference (SIM.EM.K6a, SIM.EM-K9 and SIM.EM-K11)

Science.gov (United States)

Campos, Sara; Filipski, Piotr; Izquierdo, Daniel; Afonso, Edson; Landim, Régis P.; Di Lillo, Lucas; Lipe, Thomas

2009-01-01

Three comparisons of ac-dc voltage transfer difference held from January to December 2004 are reported. Six NMIs in the SIM region took part: NRC (Canada), NIST (United States of America), CENAM (Mexico), INTI (Argentina), UTE (Uruguay) and INMETRO (Brazil). The comparisons were proposed to assess the measurement capabilities in ac-dc voltage transfer difference of the NMIs in the SIM region. The test points were selected to link the results with the equivalent CCEM Key Comparisons, through three NMIs participating in both SIM and CCEM key comparisons. Additionally, a SIM.EM-Supplementary comparison was proposed, in support of the SIM NMIs' power/energy meter calibration capabilities. One technical protocol and one travelling standard were used, to economize on time and resources. The report shows the degree of equivalence in the SIM region and also the degree of equivalence with the corresponding CCEM reference value. The results of all participants support the values and uncertainties of the applicable CMC entries for ac-dc voltage transfer difference in the Key Comparison Database held at the BIPM. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCEM, according to the provisions of the CIPM Mutual Recognition Arrangement (MRA).

SIMS studies of oxide growth on beta-NiAl

Science.gov (United States)

Mitchell, D. F.; Prescott, R.; Graham, M. J.; Doychak, J.

1992-01-01

This paper reports on a study of the growth of aluminum oxide on beta-NiAl at temperatures up to 1200 C. The scales have been formed in two-stage experiments using O2-16 and O2-18 gases, and the various isotopic species have been located by direct imaging using SIMS. Supplementary information on oxide morphologies and structures has been obtained by SEM. SIMS images and depth profiles indicate where oxidation has taken place predominantly by cation or anion diffusion at different stages of the growth process. The way in which the presence of small amounts of reactive elements can affect scale growth is also considered. These results help to provide an improved understanding of the mechanism of alumina scale formation, which is of benefit in the development of oxidation-resistant alloys and intermetallics for service at high temperatures.

SIMS chemical and isotopic analysis of impact features from LDEF experiments AO187-1 and AO187-2

Science.gov (United States)

Stadermann, Frank J.; Amari, Sachiko; Foote, John; Swan, Pat; Walker, Robert M.; Zinner, Ernst

1995-01-01

Previous secondary ion mass spectrometry (SIMS) studies of extended impact features from LDEF capture cell experiment AO187-2 showed that it is possible to distinguish natural and man-made particle impacts based on the chemical composition of projectile residues. The same measurement technique has now been applied to specially prepared gold target impacts from experiment AO187-1 in order to identify the origins of projectiles that left deposits too thin to be analyzed by conventional energy-dispersive x-ray (EDX) spectroscopy. The results indicate that SIMS may be the method of choice for the analysis of impact deposits on a variety of sample surfaces. SIMS was also used to determine the isotopic compositions of impact residues from several natural projectiles. Within the precision of the measurements all analyzed residues show isotopically normal compositions.

Analysis of trace elements by means of accelerator secondary ion mass spectrometry

International Nuclear Information System (INIS)

Ender, R.M.

1997-01-01

The analysis of material composition and trace element concentration is of increasing interest primarily in semiconductor technology but also in metallurgy, geology, biology and medicine. At present, Secondary Ion Mass Spectrometry (SIMS) is in many respects the best technique to provide 3-dimensional information on the distribution of trace elements with concentrations below 1 ppm. However, due to the presence of molecular ions the detectability of many trace elements it restricted because of molecular mass interferences. In addition, detectors used in SIMS have a background counting rate of 0.1-1 Hz, which further limits trace element analysis. In Accelerator Mass Spectrometry (AMS) long-lived radionuclides are detected free of molecular interferences and detector background at isotopic ratios as low as 10 -15 . Moreover, isobaric interferences can be reduced as well. In order to benefit from these advantages a combination of SIMS and AMS (Accelerator SIMS) has been proposed almost 20 years ago, but no facility has ever been fully developed. It has been the aim of this work to add a new sputtering chamber for AMS measurements of ultrapure semiconductor material to the existing PSI/ETH AMS facility. To fulfill the requirements of material analysis, an UHV chamber with special precautions against contamination has been built and adapted to the existing AMS setup. For sputtering, a commercial Cs gun with an ExB filter and a 1 o beam bend for neutral particle suppression is used to obtain a pure Cs ion beam. The gun is equipped with different apertures for varying the diameter of the beam spot. With the integrated scanning unit the 10 keV Cs beam can be rastered over approximately 1 mm 2 . This allows different applications such as bulk analysis, depth profiling and imaging. The secondary ion extraction is matched to the ion optical and geometrical requirements of the existing accelerator mass spectrometer. (author) figs., tabs., 67 refs

Investigation of the Ionization Mechanism of NAD+/NADH-Modified Gold Electrodes in ToF-SIMS Analysis.

Science.gov (United States)

Hua, Xin; Zhao, Li-Jun; Long, Yi-Tao

2018-06-04

Analysis of nicotinamide adenine dinucleotide (NAD + /NADH)-modified electrodes is important for in vitro monitoring of key biological processes. In this work, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to analyze NAD + /NADH-modified gold electrodes. Interestingly, no obvious characteristic peaks of nicotinamide fragment could be observed in the mass spectra of NAD + /NADH in their neutral sodium pyrophosphate form. However, after acidification, the characteristic peaks for both NAD + and NADH were detected. This was due to the suppression effect of inner pyrophosphoric salts in both neutral molecules. Besides, it was proved that the suppression by inner salt was intramolecular. No obvious suppression was found between neighboring molecules. These results demonstrated the suppression effect of inner salts in ToF-SIMS analysis, providing useful evidence for the study of ToF-SIMS ionization mechanism of organic molecule-modified electrodes. Graphical Abstract ᅟ.

Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis.

Science.gov (United States)

Zhou, Yufan; Yao, Juan; Ding, Yuanzhao; Yu, Jiachao; Hua, Xin; Evans, James E; Yu, Xiaofei; Lao, David B; Heldebrant, David J; Nune, Satish K; Cao, Bin; Bowden, Mark E; Yu, Xiao-Ying; Wang, Xue-Lin; Zhu, Zihua

2016-12-01

In situ liquid secondary ion mass spectrometry (SIMS) enabled by system for analysis at the liquid vacuum interface (SALVI) has proven to be a promising new tool to provide molecular information at solid-liquid and liquid-vacuum interfaces. However, the initial data showed that useful signals in positive ion spectra are too weak to be meaningful in most cases. In addition, it is difficult to obtain strong negative molecular ion signals when m/z>200. These two drawbacks have been the biggest obstacle towards practical use of this new analytical approach. In this study, we report that strong and reliable positive and negative molecular signals are achievable after optimizing the SIMS experimental conditions. Four model systems, including a 1,8-diazabicycloundec-7-ene (DBU)-base switchable ionic liquid, a live Shewanella oneidensis biofilm, a hydrated mammalian epithelia cell, and an electrolyte popularly used in Li ion batteries were studied. A signal enhancement of about two orders of magnitude was obtained in comparison with non-optimized conditions. Therefore, molecular ion signal intensity has become very acceptable for use of in situ liquid SIMS to study solid-liquid and liquid-vacuum interfaces. Graphical Abstract ᅟ.

Application of secondary ion mass spectrometry for the characterization of commercial high performance materials

International Nuclear Information System (INIS)

Gritsch, M.

2000-09-01

The industry today offers an uncounted number of high performance materials, that have to meet highest standards. Commercial high performance materials, though often sold in large quantities, still require ongoing research and development to keep up to date with increasing needs and decreasing tolerances. Furthermore, a variety of materials is on the market that are not fully understood in their microstructure, in the way they react under application conditions, and in which mechanisms are responsible for their degradation. Secondary Ion Mass Spectrometry (SIMS) is an analytical method that is now in commercial use for over 30 years. Its main advantages are the very high detection sensitivity (down to ppb), the ability to measure all elements with isotopic sensitivity, the ability of gaining laterally resolved images, and the inherent capability of depth-profiling. These features make it an ideal tool for a wide field of applications within advanced material science. The present work gives an introduction into the principles of SIMS and shows the successful application for the characterization of commercially used high performance materials. Finally, a selected collection of my publications in reviewed journals will illustrate the state of the art in applied materials research and development with dynamic SIMS. All publications focus on the application of dynamic SIMS to analytical questions that stem from questions arising during the production and improvement of high-performance materials. (author)

Secondary ion mass spectroscopy (SIMS)

International Nuclear Information System (INIS)

Naik, P.K.

1975-01-01

Secondary Ion Mass Spectrometry (SIMS) which is primarily a method for investigating the chemical composition of the uppermost atomic layer of solid surfaces is explained. In this method, the specimen is bombarded with a primary positive ion beam of small current density monolayer. Positive and negative ions sputtered from the specimen are mass analysed to give the surface chemical composition. The analytical system which consists of a primary ion source, a target manipulator and a mass spectrometer housed in an ultrahigh vacuum system is described. This method can also be used for profile measurements in thin films by using higher current densities of the primary ions. Fields of application such as surface reactions, semiconductors, thin films emission processes, chemistry, metallurgy are touched upon. Various aspects of this method such as the sputtering process, instrumentation, and applications are discussed. (K.B.)

NanoSIMS analysis of Bacillus spores for forensics

Energy Technology Data Exchange (ETDEWEB)

Weber, P K; Davisson, M L; Velsko, S P

2010-02-23

The threat associated with the potential use of radiological, nuclear, chemical and biological materials in terrorist acts has resulted in new fields of forensic science requiring the application of state-of-the-science analytical techniques. Since the anthrax letter attacks in the United States in the fall of 2001, there has been increased interest in physical and chemical characterization of bacterial spores. While molecular methods are powerful tools for identifying genetic differences, other methods may be able to differentiate genetically identical samples based on physical and chemical properties, as well as provide complimentary information, such as methods of production and approximate date of production. Microanalysis has the potential to contribute significantly to microbial forensics. Bacillus spores are highly structured, consisting of a core, cortex, coat, and in some species, an exosporium. This structure provides a template for constraining elemental abundance differences at the nanometer scale. The primary controls on the distribution of major elements in spores are likely structural and physiological. For example, P and Ca are known to be abundant in the spore core because that is where P-rich nucleic acids and Cadipicolinic acid are located, respectively. Trace elements are known to bind to the spore coat but the controls on these elements are less well understood. Elemental distributions and abundances may be directly related to spore production, purification and stabilization methodologies, which are of particular interest for forensic investigation. To this end, we are developing a high-resolution secondary ion mass spectrometry method using a Cameca NanoSIMS 50 to study the distribution and abundance of trace elements in bacterial spores. In this presentation we will review and compare methods for preparing and analyzing samples, as well as review results on the distribution and abundance of elements in bacterial spores. We use NanoSIMS to

Optimized conditions for selective gold flotation by ToF-SIMS and ToF-LIMS

Science.gov (United States)

Chryssoulis, S. L.; Dimov, S. S.

2004-06-01

This work describes a comprehensive characterization of the factors controlling the floatability of free gold from flotation test using reagents (collectors) at plant concentration levels. A relationship between the collectors loadings on gold particles and their surface composition has been established. The findings of this study show that silver activates gold flotation and there is a strong correlation between the surface concentration of silver and the loading of certain collectors. The organic surface analysis was done by ToF-SIMS while the inorganic surface analysis was carried out by time-of-flight laser ionization mass spectrometry (ToF-LIMS). The developed testing protocol based on ToF-LIMS and ToF-SIMS complementary surface analysis allows for optimization of the flotation scheme and hence improved gold recovery.

Mass Spectrometry Imaging of Drugs of Abuse in Hair.

Science.gov (United States)

Flinders, Bryn; Cuypers, Eva; Porta, Tiffany; Varesio, Emmanuel; Hopfgartner, Gérard; Heeren, Ron M A

2017-01-01

Hair testing is a powerful tool routinely used for the detection of drugs of abuse. The analysis of hair is highly advantageous as it can provide prolonged drug detectability versus that in biological fluids and chronological information about drug intake based on the average growth of hair. However, current methodology requires large amounts of hair samples and involves complex time-consuming sample preparation followed by gas or liquid chromatography coupled with mass spectrometry. Mass spectrometry imaging is increasingly being used for the analysis of single hair samples, as it provides more accurate and visual chronological information in single hair samples.Here, two methods for the preparation of single hair samples for mass spectrometry imaging are presented.The first uses an in-house built cutting apparatus to prepare longitudinal sections, the second is a method for embedding and cryo-sectioning hair samples in order to prepare cross-sections all along the hair sample.

Efficient isotope ratio analysis of uranium particles in swipe samples by total-reflection x-ray fluorescence spectrometry and secondary ion mass spectrometry

International Nuclear Information System (INIS)

Esaka, Fumitaka; Watanabe, Kazuo; Fukuyama, Hiroyasu; Onodera, Takashi; Esaka, Konomi T.; Magara, Masaaki; Sakurai, Satoshi; Usuda, Shigekazu

2004-01-01

A new particle recovery method and a sensitive screening method were developed for subsequent isotope ratio analysis of uranium particles in safeguards swipe samples. The particles in the swipe sample were recovered onto a carrier by means of vacuum suction-impact collection method. When grease coating was applied to the carrier, the recovery efficiency was improved to 48±9%, which is superior to that of conventionally-used ultrasoneration method. Prior to isotope ratio analysis with secondary ion mass spectrometry (SIMS), total reflection X-ray fluorescence spectrometry (TXRF) was applied to screen the sample for the presence of uranium particles. By the use of Si carriers in TXRF analysis, the detection limit of 22 pg was achieved for uranium. By combining these methods with SIMS, the isotope ratios of 235 U/ 238 U for individual uranium particles were efficiently determined. (author)

Simulation of multi-photon emission isotopes using time-resolved SimSET multiple photon history generator

Energy Technology Data Exchange (ETDEWEB)

Chiang, Chih-Chieh; Lin, Hsin-Hon; Lin, Chang-Shiun; Chuang, Keh-Shih [Department of Biomedical Engineering and Environmental Sciences, National Tsing-HuaUniversity, Hsinchu, Taiwan (China); Jan, Meei-Ling [Health Physics Division, Institute of Nuclear Energy Research, Atomic Energy Council, Taoyuan, Taiwan (China)

2015-07-01

Abstract-Multiple-photon emitters, such as In-111 or Se-75, have enormous potential in the field of nuclear medicine imaging. For example, Se-75 can be used to investigate the bile acid malabsorption and measure the bile acid pool loss. The simulation system for emission tomography (SimSET) is a well-known Monte Carlo simulation (MCS) code in nuclear medicine for its high computational efficiency. However, current SimSET cannot simulate these isotopes due to the lack of modeling of complex decay scheme and the time-dependent decay process. To extend the versatility of SimSET for simulation of those multi-photon emission isotopes, a time-resolved multiple photon history generator based on SimSET codes is developed in present study. For developing the time-resolved SimSET (trSimSET) with radionuclide decay process, the new MCS model introduce new features, including decay time information and photon time-of-flight information, into this new code. The half-life of energy states were tabulated from the Evaluated Nuclear Structure Data File (ENSDF) database. The MCS results indicate that the overall percent difference is less than 8.5% for all simulation trials as compared to GATE. To sum up, we demonstrated that time-resolved SimSET multiple photon history generator can have comparable accuracy with GATE and keeping better computational efficiency. The new MCS code is very useful to study the multi-photon imaging of novel isotopes that needs the simulation of lifetime and the time-of-fight measurements. (authors)

SIMS as a new methodology to depth profile helium in as-implanted and annealed pure bcc metals?

Energy Technology Data Exchange (ETDEWEB)

Gorondy-Novak, S. [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France); Jomard, F. [Groupe d' Etude de la Matière Condensée, CNRS, UVSQ, 45 avenue des Etats-Unis, 78035 Versailles cedex (France); Prima, F. [PSL Research University, Chimie ParisTech – CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Lefaix-Jeuland, H., E-mail: helene.lefaix@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France)

2017-05-01

Reliable He profiles are highly desirable for better understanding helium behavior in materials for future nuclear applications. Recently, Secondary Ions Mass Spectrometry (SIMS) allowed the characterization of helium distribution in as-implanted metallic systems. The Cs{sup +} primary ion beam coupled with CsHe{sup +} molecular detector appeared to be a promising technique which overcomes the very high He ionization potential. In this study, {sup 4}He depth profiles in pure body centered cubic (bcc) metals (V, Fe, Ta, Nb and Mo) as-implanted and annealed, were obtained by SIMS. All as-implanted samples exhibited a projected range of around 200 nm, in agreement with SRIM theoretical calculations. After annealing treatment, SIMS measurements evidenced the evolution of helium depth profile with temperature. The latter SIMS results were compared to the helium bubble distribution obtained by Transmission Electron Microscopy (TEM). This study confirmed the great potential of this experimental procedure as a He-depth profiling technique in bcc metals. Indeed, the methodology described in this work could be extended to other materials including metallic and non-metallic compounds. Nevertheless, the quantification of helium concentration after annealing treatment by SIMS remains uncertain probably due to the non-uniform ionization efficiency in samples containing large bubbles.

Development of nanotopography during SIMS characterization of thin films of Ge{sub 1−x}Sn{sub x} alloy

Energy Technology Data Exchange (ETDEWEB)

Secchi, M., E-mail: secchi@fbk.eu [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Department of Physics, University of Trento, Via Sommarive 14, 38123 Trento (Italy); Demenev, E. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Department of Molecular Science and Nanosystems, Ca’Foscari University, Dorsoduro 2137, 30123 Venice (Italy); Colaux, J.L. [Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 7XH, Surrey, England (United Kingdom); Giubertoni, D.; Dell’Anna, R.; Iacob, E. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy); Gwilliam, R.M.; Jeynes, C. [Ion Beam Centre, Advanced Technology Institute, University of Surrey, Guildford GU2 7XH, Surrey, England (United Kingdom); Bersani, M. [Center for Materials and Microsystems, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Povo, TN (Italy)

2015-11-30

Highlights: • SIMS protocol to measure high Sn concentration in GeSn alloy is proposed. • Cs{sup +} as incidence beam, collecting positive ions MCs{sup +} was the chosen configuration. • Applied sputtering conditions induced an early formation of surface topography. • Unusual dot and ripple evolution at oblique incidence angle on Ge were studied. • Two different mechanisms seem to be involved: ripple formation and nanovoids in Ge. - Abstract: This work presents a study of application of secondary ion mass spectrometry (SIMS) to measure tin concentration in Ge{sub 1−x}Sn{sub x} alloy with x higher than solid solubility ∼1%, i.e. well above the diluted regime where SIMS measurements usually provide the most reliable quantitative results. SIMS analysis was performed on Sn{sup +} ion implanted Ge films, epitaxially deposited on Si, and on chemical vapor deposition deposited Ge{sub 0.93}Sn{sub 0.07} alloy. Three SIMS conditions were investigated, varying primary beam ion species and secondary ion polarity keeping 1 keV impact energy. Best depth profile accuracy, best agreement with the fluences measured by Rutherford backscattering spectrometry, good detection limit (∼1 × 10{sup 17} at/cm{sup 3}) and depth resolution (∼2 nm/decade) are achieved in Cs{sup +}/SnCs{sup +} configuration. However, applied sputtering conditions (Cs{sup +} 1 keV, 64° incidence vs. normal) induced an early formation of surface topography on the crater bottom resulting in significant variation of sputtering yield. Atomic force microscopy shows a peculiar topography developed on Ge: for oblique incidence, a topography consisting in a sequence of dots and ripples was observed on the crater bottom. This behavior is unusual for grazing incidence and has been observed to increase with the Cs{sup +} fluence. Rotating sample during sputtering prevents this ripple formation and consequently improves the depth accuracy.

Ga+ TOF-SIMS lineshape analysis for resolution enhancement of MALDI MS spectra of a peptide mixture

International Nuclear Information System (INIS)

Malyarenko, D.I.; Chen, H.; Wilkerson, A.L.; Tracy, E.R.; Cooke, W.E.; Manos, D.M.; Sasinowski, M.; Semmes, O.J.

2004-01-01

The use of mass spectrometry to obtain molecular profiles indicative of alteration of concentrations of peptides in body fluids is currently the subject of intense investigation. For surface-based time-of-flight mass spectrometry the reliability and specificity of such profiling methods depend both on the resolution of the measuring instrument and on the preparation of samples. The present work is a part of a program to use Ga + beam TOF-SIMS alone, and as an adjunct to MALDI, in the development of reliable protein and peptide markers for diseases. Here, we describe techniques to prepare samples of relatively high-mass peptides, which serve as calibration standards and proxies for biomarkers. These are: Arg8-vasopressin, human angiotensin II, and somatostatin. Their TOF-SIMS spectra show repeatable characteristic features, with mass resolution exceeding 2000, including parent peaks and chemical adducts. The lineshape analysis for high-resolution parent peaks is shown to be useful for filter construction and deconvolution of inferior resolution SELDI-TOF spectra of calibration peptide mixture

Desorption and ionization processes in laser mass spectrometry

International Nuclear Information System (INIS)

Peyl, G.J.Q. van der.

1984-01-01

In this thesis results are reported from a study on the desorption- and ionization process initiated by infra-red laser irradiation (LDMS) or ion bombardment (SIMS) of thin organic sample layers. The study is especially focused on the formation of quasimolecular ions under these conditions. Results of these investigations can be used for a better optimization of the LDMS and SIMS techniques in organic mass spectrometry. First, an overview is given of laser desorption mass spectrometry. Next, the coupling of the laser energy into the organic sample layer is investigated. It is concluded that the laser energy is primarily absorbed by the substrate material and not by the organic overlayer. The formation of quasi-molecular ions, either in the gas phase or in the substrate surface is investigated. The final section reports kinetic energy distributions for ions sputtered from organic solids and liquids. (Auth.)

Determination of furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) in some wines from Italian native grapes by Gas-Chromatography-SIM/MASS spectrometry.

Science.gov (United States)

Genovese, Alessandro; Piombino, Paola; Lisanti, Maria Tiziana; Moio, Luigi

2005-06-01

Gas Chromatography-Mass Spectrometry (GC-MS) analysis by Selective Ion Monitoring (SIM) was applied to quantify 4-Hydroxy-2,5-dimethyl-3(2H)-furanone (HDMF) in both red and white wines obtained from some Italian cultivar of Vitis vinifera. Wines were extracted by liquid-liquid extraction performed with 1,1,2-trichlorotrifluoroethane (Freon 113). The ion m/z 128 was used for quantification while the ion m/z 129 as qualifier. Precision, linearity and accuracy of the method resulted satisfactory. Results showed a significant variation in the concentration of furaneol in wine with grape variety. Generally, HDMF concentrations in white wines were lower than in red wines. Among white wines, Chardonnay resulted characterized by the highest concentration of HDMF. Among red wines the highest concentrations of HDMF were detected in Primitivo and Refosco varieties.

SIMS studies of low-K materials

International Nuclear Information System (INIS)

Lin Xuefeng; Smith, Stephen P.

2006-01-01

We report progress in conducting quantitative SIMS analyses of low-K materials. Electron-beam (e-beam) pre-irradiation of SIMS measurement sites was used to study the e-beam-induced effects on SIMS depth profiling of a porous organosilicate low-K material. Pre-irradiation of the sample surface using the e-beam causes a reduction in the thickness of the low-K film. SIMS profiling was used to sputter to identifiable marker positions within the pre-irradiated film. Physical measurement of the thickness of the remaining film was used to show that the e-beam-induced reduction in thickness occurs uniformly throughout the pre-irradiated film. Exposure of the film to the e-beam prior to SIMS analysis also resulted in minor changes in the composition of the film. However, pre-irradiation of the film is not part of the normal SIMS measurement procedure. We conclude that when the e-beam irradiation is used only for charge compensation during SIMS depth profiling, the SIMS analysis of the low-K material will not be significantly affected

Advantages of TOF-SIMS analysis of hydroxyapatite and fluorapatite in comparison with XRD, HR-TEM and FT-IR.

Science.gov (United States)

Okazaki, Masayuki; Hirata, Isao; Matsumoto, Takuya; Takahashi, Junzo

2005-12-01

The chemical analysis of hydroxyapatite and fluorapatite was carried out using time-of-flight secondary ion mass spectrometry (TOF-SIMS). Hydroxyapatite and fluorapatite were synthesized at 80 +/- 1 degrees C and pH 7.4 +/- 0.2. Fluorapatite was better crystallized, with its (300) reflection shifted to a slightly higher angle. High-resolution transmission electron microscopy clearly revealed a typical, regular hexagonal cross section perpendicular to the c-axis for fluorapatite and a flattened hexagonal cross section for hydroxyapatite. FT-IR spectra of fluorapatite confirmed the absence of OH absorption peak--which was seen in hydroxyapatite at about 3570 cm(-1). TOF-SIMS mass spectra showed a peak at 40 amu due to calcium. In addition, a peak at 19 amu due to fluorine could be clearly seen, although the intensities of PO, PO2, and PO3 were very low. It was confirmed that TOF-SIMS clearly showed the differences between positive and negative mass spectra of hydroxyapatite and fluorapatite, especially for F-. We concluded that TOF-SIMS exhibited distinct advantages compared with other methods of analysis.

Characterization of plasma-functionalized surfaces by means of Tof-SIMS and multivariate analysis methods; Charakterisierung von plasmafunktionalisierten Oberflaechen mittels ToF-SIMS und multivariaten Analysemethoden

Energy Technology Data Exchange (ETDEWEB)

Gradowski, M. von

2006-11-13

The basic principles and opportunities of surface characterisation of selected functionalised samples via ToF-SIMS (time-of-flight secondary ion mass spectrometry) are presented. One major focus of the project was the investigation of non-cohesive surface layers which could exhibit either domain like structure or well defined single functionalised surfaces. By means of ToF-SIMS with the ability of displaying the lateral distribution of surface fragments information on the structure and surface density of specific fragments on the investigated film can be obtained. The combination of the ToF-SIMS experiment with a multivariate algorithm (partial least squares, PLS) provides an interesting opportunity to quantitatively determine surface properties such as elemental and molecular concentrations. Due to the fact that the ToF-SIMS spectrum consist of a huge amount of intensities, a single one-dimensional correlation (e.g. CF{sub 3} fragment intensity <-{yields} CF{sub 3} concentration) would disregard the rest of the spectral information. The large number of fragment intensities in the spectrum is representative for the chemical structure of the analysed surface. Therefore, it is crucial to consider this total information for the quantification of surface properties (element concentration, water contact angle etc.). Furthermore, this method allows the determination of surface properties with a lateral resolution of a few microns only. This can be used for chemically structured surfaces which for many applications show micrometer sized surface structures. Finally, a successful application of the multivariate models is presented for samples from the biological and medical area. Human fibroblasts and pancreas cells have been cultivated on plasma functionalised surfaces in order to study the influence of the functionalisation on the cell growth. The samples have been covered by TEM grids with meshes in the {mu}m range before the plasma treatment to generate structured

ToF-SIMS images and spectra of biomimetic calcium silicate-based cements after storage in solutions simulating the effects of human biological fluids

Science.gov (United States)

Torrisi, A.; Torrisi, V.; Tuccitto, N.; Gandolfi, M. G.; Prati, C.; Licciardello, A.

2010-01-01

ToF-SIMS images were obtained from a section of a tooth, obturated by means of a new calcium-silicate based cement (wTCF) after storage for 1 month in a saline solutions (DPBS), in order to simulate the body fluid effects on the obturation. Afterwards, ToF-SIMS spectra were obtained from model samples, prepared by using the same cement paste, after storage for 1 month and 8 months in two different saline solutions (DPBS and HBSS). ToF-SIMS spectra were also obtained from fluorine-free cement (wTC) samples after storage in HBSS for 1 month and 8 months and used for comparison. It was found that the composition of both the saline solution and the cement influenced the composition of the surface of disks and that longer is the storage greater are the differences. Segregation phenomena occur both on the cement obturation of the tooth and on the surface of the disks prepared by using the same cement. Indirect evidences of formation of new crystalline phases are supplied.

Molecular imaging of in vivo calcium ion expression in area postrema of total sleep deprived rats: Implications for cardiovascular regulation by TOF-SIMS analysis

Science.gov (United States)

Mai, Fu-Der; Chen, Li-You; Ling, Yong-Chien; Chen, Bo-Jung; Wu, Un-In; Chang, Hung-Ming

2010-05-01

Excessive calcium influx in chemosensitive neurons of area postrema (AP) is detrimental for sympathetic activation and participates in the disruption of cardiovascular activities. Since total sleep deprivation (TSD) is a stressful condition known to harm the cardiovascular function, the present study is aimed to determine whether the in vivo calcium expression in AP would significantly alter following TSD by the use of time-of-flight secondary ion mass spectrometry (TOF-SIMS) and calretinin (a specific calcium sensor protein in AP neurons) immunohistochemistry. The results indicated that in normal rats, the calcium intensity was estimated to be 0.5 × 10 5 at m/ z 40.08. However, following TSD, the intensity for calcium ions was greatly increased to 1.2 × 10 5. Molecular imaging revealed that after TSD, various strongly expressed calcium signals were distributed throughout AP with clear identified profiles instead of randomly scattered within this region in normal rats. Immunohistochemical staining corresponded well with ionic image in which a majority of calcium-enriched gathering co-localized with calretinin positive neurons. The functional significance of TSD-induced calcium augmentation was demonstrated by increased heart rate and mean arterial pressure, clinical markers for cardiovascular dysfunction. Considering AP-mediated sympathetic activation is important for cardiovascular regulation, exaggerated calcium influx in AP would render this neurocircuitry more vulnerable to over-excitation, which might serve as the underlying mechanism for the development of TSD-relevant cardiovascular deficiency.

Up-regulation of Na + expression in the area postrema of total sleep deprived rats by TOF-SIMS analysis

Science.gov (United States)

Mai, Fu-Der; Chen, Bo-Jung; Ling, Yong-Chien; Wu, Un-In; Huang, Yi-Lun; Chang, Hung-Ming

2008-12-01

Area postrema (AP) is a circumventricular organ plays an important role in sodium homeostasis and cardiovascular regulation. Since sleep deficiency will cause cardiovascular dysfunction, the present study aims to determine whether sodium level would significantly alter in AP following total sleep deprivation (TSD). Sodium level was investigated in vivo by time-of-flight secondary ion mass spectrometry (TOF-SIMS). Clinical manifestation of cardiovascular function was demonstrated by mean arterial pressure (MAP) values. Results indicated that in normal rats, TOF-SIMS spectrum revealed a major peak of sodium ion counting as 5.61 × 10 5 at m/ z 23. The sodium ions were homogeneous distributed in AP without specific localization. However, following TSD, the sodium intensity was relatively increased (6.73 × 10 5) and the signal for sodium image was strongly expressed throughout AP with definite spatial distribution. MAP of TSD rats is 138 ± 5 mmHg, which is significantly higher than that of normal ones (121 ± 3 mmHg). Regarding AP is an important area for sodium sensation and development of hypernatremic related sympatho-excitation; up-regulation of sodium expression following TSD suggests that high sodium level might over-activate AP, through complex neuronal networks involving in sympathetic regulation, which could lead to the formation of TSD relevant cardiovascular diseases.

Imaging AMS

Energy Technology Data Exchange (ETDEWEB)

Freeman, S.P.H.T. [Univ. of Oxford (United Kingdom)]|[Lawrence Livermore National Lab., CA (United States); Ramsey, C.B.; Hedges, R.E.M. [Univ. of Oxford (United Kingdom)

1993-12-01

The benefits of simultaneous high effective mass resolution and large spectrometer acceptance that accelerator mass spectrometry has afforded the bulk analysis of material samples by secondary ion mass spectrometry may also be applied to imaging SIMS. The authors are exploring imaging AMS with the addition to the Oxford {sup 14}C-AMS system of a scanning secondary ion source. It employs a sub micron probe and a separate Cs flood to further increase the useful ion yield. The source has been accommodated on the system by directly injecting sputtered ions into the accelerator without mass analysis. They are detected with a range of devices including new high-bandwidth detectors. Qualitative mass spectra may be easily generated by varying only the post-accelerator analysis magnet. Selected ion signals may be used for imaging. In developing the instrument for bioscience research the authors are establishing its capability for measuring the lighter elements prevalent in biological tissue. Importantly, the machine can map the distributions of radiocarbon labeled compounds with an efficiency of about 1{per_thousand}. A background due to misidentification of non-{sup 14}C ions as a result of the reduced ion mass filtering is too small to hinder high magnification microscopy.

SIMS applications workshop. Proceedings

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-04-01

The first ANSTO/AINSE SIMS Workshop drew together a mixture of Surface Analysis experts and Surface Analysis users with the concept that SIMS analysis has to be enfolded within the spectrum of surface analysis techniques and that the user should select the technique most applicable to the problem. With this concept in mind the program was structured as sessions on SIMS Facilities; Applications to Mineral Surfaces; Applications to Biological Systems, Applications to Surfaces as Semi- conductors, Catalysts and Surface Coatings; and Applications to Ceramics

Intracellular Drug Uptake-A Comparison of Single Cell Measurements Using ToF-SIMS Imaging and Quantification from Cell Populations with LC/MS/MS.

Science.gov (United States)

Newman, Carla F; Havelund, Rasmus; Passarelli, Melissa K; Marshall, Peter S; Francis, Ian; West, Andy; Alexander, Morgan R; Gilmore, Ian S; Dollery, Colin T

2017-11-21

ToF-SIMS is a label-free imaging method that has been shown to enable imaging of amiodarone in single rat macrophage (NR8383) cells. In this study, we show that the method extends to three other cell lines relevant to drug discovery: human embryonic kidney (HEK293), cervical cancer (HeLa), and liver cancer (HepG2). There is significant interest in the variation of drug uptake at the single cell level, and we use ToF-SIMS to show that there is great diversity between individual cells and when comparing each of the cell types. These single cell measurements are compared to quantitative measurements of cell-associated amiodarone for the population using LC/MS/MS and cell counting with flow cytometry. NR8383 and HepG2 cells uptake the greatest amount of amiodarone with an average of 2.38 and 2.60 pg per cell, respectively, and HeLa and Hek 293 have a significantly lower amount of amiodarone at 0.43 and 0.36 pg per cell, respectively. The amount of cell-associated drug for the ensemble population measurement (LC/MS/MS) is compared with the ToF-SIMS single cell data: a similar amount of drug was detected per cell for the NR8383, and HepG2 cells at a greater level than that for the HEK293 cells. However, the two techniques did not agree for the HeLa cells, and we postulate potential reasons for this.

Imaging of plant materials using indirect desorption electrospray ionization mass spectrometry

DEFF Research Database (Denmark)

Janfelt, Christian

2015-01-01

Indirect desorption electrospray ionization mass spectrometry (DESI-MS) imaging is a method for imaging distributions of metabolites in plant materials, in particular leaves and petals. The challenge in direct imaging of such plant materials with DESI-MS is particularly the protective layer of cu...... of interest from parts of their matrix while preserving the spatial information in the two dimensions. The imprint can then easily be imaged by DESI-MS. The method delivers simple and robust mass spectrometry imaging of plant material with very high success ratios....... of cuticular wax present in leaves and petals. The cuticle protects the plant from drying out, but also makes it difficult for the DESI sprayer to reach the analytes of interest inside the plant material. A solution to this problem is to imprint the plant material onto a surface, thus releasing the analytes...

Direct molecular analysis of whole-body animal tissue sections by MALDI imaging mass spectrometry.

Science.gov (United States)

Reyzer, Michelle L; Chaurand, Pierre; Angel, Peggi M; Caprioli, Richard M

2010-01-01

The determination of the localization of various compounds in a whole animal is valuable for many applications, including pharmaceutical absorption, distribution, metabolism, and excretion (ADME) studies and biomarker discovery. Imaging mass spectrometry is a powerful tool for localizing compounds of biological interest with molecular specificity and relatively high resolution. Utilizing imaging mass spectrometry for whole-body animal sections offers considerable analytical advantages compared to traditional methods, such as whole-body autoradiography, but the experiment is not straightforward. This chapter addresses the advantages and unique challenges that the application of imaging mass spectrometry to whole-body animal sections entails, including discussions of sample preparation, matrix application, signal normalization, and image generation. Lipid and protein images obtained from whole-body tissue sections of mouse pups are presented along with detailed protocols for the experiments.

CalSimHydro Tool - A Web-based interactive tool for the CalSim 3.0 Hydrology Prepropessor

Science.gov (United States)

Li, P.; Stough, T.; Vu, Q.; Granger, S. L.; Jones, D. J.; Ferreira, I.; Chen, Z.

2011-12-01

CalSimHydro, the CalSim 3.0 Hydrology Preprocessor, is an application designed to automate the various steps in the computation of hydrologic inputs for CalSim 3.0, a water resources planning model developed jointly by California State Department of Water Resources and United States Bureau of Reclamation, Mid-Pacific Region. CalSimHydro consists of a five-step FORTRAN based program that runs the individual models in succession passing information from one model to the next and aggregating data as required by each model. The final product of CalSimHydro is an updated CalSim 3.0 state variable (SV) DSS input file. CalSimHydro consists of (1) a Rainfall-Runoff Model to compute monthly infiltration, (2) a Soil moisture and demand calculator (IDC) that estimates surface runoff, deep percolation, and water demands for natural vegetation cover and various crops other than rice, (3) a Rice Water Use Model to compute the water demands, deep percolation, irrigation return flow, and runoff from precipitation for the rice fields, (4) a Refuge Water Use Model that simulates the ponding operations for managed wetlands, and (5) a Data Aggregation and Transfer Module to aggregate the outputs from the above modules and transfer them to the CalSim SV input file. In this presentation, we describe a web-based user interface for CalSimHydro using Google Earth Plug-In. The CalSimHydro tool allows users to - interact with geo-referenced layers of the Water Budget Areas (WBA) and Demand Units (DU) displayed over the Sacramento Valley, - view the input parameters of the hydrology preprocessor for a selected WBA or DU in a time series plot or a tabular form, - edit the values of the input parameters in the table or by downloading a spreadsheet of the selected parameter in a selected time range, - run the CalSimHydro modules in the backend server and notify the user when the job is done, - visualize the model output and compare it with a base run result, - download the output SV file to be

Investigating the capability of ToF-SIMS to determine the oxidation state of Ce

Science.gov (United States)

Seed Ahmed, H. A. A.; Swart, H. C.; Kroon, R. E.

2018-04-01

The capability of time of flight secondary ion mass spectrometry (ToF-SIMS) to determine the oxidation state of Ce ions doped in a phosphor was investigated. Two samples of SiO2:Ce (4 mol%) with known Ce3+/Ce4+ relative concentrations were subjected to ToF-SIMS measurements. The spectra were very similar and no significant differences in the relative peak intensities were observed that would readily allow one to distinguish Ce3+ from Ce4+. Although ToF-SIMS was therefore not useful to distinguish the charge state of Ce ions doped in this phosphor material, the idea in principle was also tested on two other samples, namely CeF3 and CeF4 These contain Ce as part of the host (i.e. much higher concentration) and are fluorides, which is significant because ToF-SIMS has previously been reported to be able to distinguish Eu2+ from Eu3+ in Eu doped Sr5(PO4)3F phosphor. The spectrum of CeF4 contained a small peak related to Ce4+ which was not observed in the CeF3 spectrum, yet the peak related to the Ce3+ ions was found to be much more intense in the spectrum of CeF4 than CeF3, showing that the ToF-SIMS signals cannot be directly interpreted as retaining the charge state of the ions in the original material. Nevertheless, the significant differences in the Ce-related peaks in the ToF-SIMS spectra from CeF3 and CeF4 show that the charge state of Ce may be distinguished. This study shows that while in principle ToF-SIMS may be used to distinguish the charge state of Ce ions, this depends on the sample and it would not be easy to interpret the spectra without a standard or reference.

Molecular imaging of lipids in cells and tissues

Science.gov (United States)

Borner, Katrin; Malmberg, Per; Mansson, Jan-Eric; Nygren, Hakan

2007-02-01

The distribution pattern of lipid species in biological tissues was analyzed with imaging mass spectrometry (TOF-SIMS; time-of-flight secondary ion mass spectrometry). The first application shows distribution of a glycosphingolipid, the galactosylceramide-sulfate (sulfatide) with different hydrocarbon chain lengths and the fatty acids palmitate and oleate in rat cerebellum. Sulfatides were seen localized in regions suggested as paranodal areas of rat cerebellar white matter as well as in the granular layer, with highest concentrations at the borders of the white matter. Different distribution patterns could be shown for the fatty acid C16:0 palmitate and C18:1 oleate in rat cerebellum, which seem to origin partly from the hydrocarbon chains of phosphatidylcholine. Results were shown for two different tissue preparation methods, which were plunge-freezing and cryostat sectioning as well as high-pressure freezing, freeze-fracturing and freeze-drying. The second application shows TOF-SIMS analysis on a biological trial of choleratoxin treatment in mouse intestine. The effect of cholera toxin on lipids in the intestinal epithelium was shown by comparing control and cholera toxin treated mouse intestine samples. A significant increase of the cholesterol concentration was seen after treatment. Cholesterol was mainly localized to the brush border of enterocytes of the intestinal villi, which could be explained by the presence of cholesterol-rich lipid rafts present on the microvilli or by relations to cholesterol uptake. After cholera toxin exposure, cholesterol was seen increased in the nuclei of enterocytes and apparently in the interstitium of the villi. We find that imaging TOF-SIMS is a powerful tool for studies of lipid distributions in cells and tissues, enabling the elucidation of their role in cell function and biology.

Comparison of Gas Chromatography-Mass Spectrometry and Gas Chromatography-Tandem Mass Spectrometry with Electron Ionization and Negative-Ion Chemical Ionization for Analyses of Pesticides at Trace Levels in Atmospheric Samples

Directory of Open Access Journals (Sweden)

Renata Raina

2008-01-01

Full Text Available A comparison of detection limits of gas chromatography-mass spectrometry (GC-MS in selected ion monitoring (SIM with gas chromatography-tandem mass spectrometry (GC-MS/MS in selected reaction monitoring (SRM mode with both electron ionization (EI and negative-ion chemical ionization (NCI are presented for over 50 pesticides ranging from organochlorines (OCs, organophosphorus pesticides (OPs and pre-emergent herbicides used in the Canadian prairies (triallate, trifluralin, ethalfluralin. The developed GC-EI/SIM, GC-NCI/SIM, and GC-NCI/SRM are suitable for the determination of pesticides in air sample extracts at concentrations <100 pg µL -1 (< 100 pg m -3 in air. No one method could be used to analyze the range of pre-emergent herbicides, OPs, and OCs investigated. In general GC-NCI/SIM provided the lowest method detection limits (MDLs commonly 2.5-10 pg µL -1 along with best confirmation (<25% RSD of ion ratio, while GC-NCI/SRM is recommended for use where added selectivity or confirmation is required (such as parathion-ethyl, tokuthion, carbofenothion. GC-EI/SRM at concentration < 100 pg µL -1 was not suitable for most pesticides. GC-EI/SIM was more prone to interference issues than NCI methods, but gave good sensitivity (MDLs 1-10 pg µL -1 for pesticides with poor NCI response (OPs: sulfotep, phorate, aspon, ethion, and OCs: alachlor, aldrin, perthane, and DDE, DDD, DDT.

Multilayer analysis using SIMS: interpretation of profiles at interfaces

International Nuclear Information System (INIS)

Aucouturier, M.; Grattepain, C.; Tromson-Carli, A.; Barbe, M.; Cohen-Solal, G.; Marfaing, Y.; Chevrier, F.; Gall, H. le; Imhoff, D.

1993-01-01

Secondary ion mass spectrometry (SIMS) is a well adapted analytical method for the chemical characterization of concentration profiles in layered or multilayered materials, particularly concerning the more or less abrupt interfaces bounding those layers. It is known that the fiability and accuracy of the interface characterization may be affected by methodological factors, which alter the depth resolution such as: macroscopical or microscopical initial roughness of the substrate and/or of the layers, ion-induced roughening, effects of differential sputtering of the various elements, transitory stage of the primary ion beam implantation, ion beam induced accelerated diffusion, balistic mixing or segregation; etc.. This communication describes several examples of SIMS analysis performed on metal multilayers (Co/Cu) and on epitaxial semiconductor layers (CdTe/GaAs), focussing the interest on the particular analytical problems raised by the initial roughness and the ion induced roughening effect. The interpretation of the measured profiles, the influence of analytical parameters (such as the nature of the primary ion beam, sputtering conditions, detected ion species), and the limitations of profilometry roughness measurements, are discussed. Solutions are proposed in order to improve the depth resolution of interface characterization, including a tentative modelization of roughness effects. (orig.)

Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS)

International Nuclear Information System (INIS)

Mondt, R. de; Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Vaeck, L. van; Gijbels, R.

2006-01-01

Metal-assisted (MetA) SIMS using the deposition of a thin Au or Ag layer on non-conducting samples prior to analysis has been advocated as a means to improve the secondary ion (S.I.) yields of organic analytes. This study focuses on the influence of time and temperature on the yield enhancement in MetA-SIMS using thick layers of poly(vinylbutyral-co-vinylalcohol-co-vinylacetate) (PVB) containing dihydroxybenzophenone (DHBPh) or a cationic carbocyanine dye (CBC) and spin-coated layers of the cationic dye on Si. Pristine samples as well as Au- and Ag-coated ones were kept between -8 deg. C and 80 deg. C and analysed with S-SIMS at intervals of a few days over a period of 1 month. The yield enhancement was found to depend strongly on the kind of evaporated metal, the storage temperature and time between coating and analysis

Analysis of antioxidants in insulation cladding of copper wire: a comparison of different mass spectrometric techniques (ESI-IT, MALDI-RTOF and RTOF-SIMS).

Science.gov (United States)

Schnöller, Johannes; Pittenauer, Ernst; Hutter, Herbert; Allmaier, Günter

2009-12-01

Commercial copper wire and its polymer insulation cladding was investigated for the presence of three synthetic antioxidants (ADK STAB AO412S, Irganox 1010 and Irganox MD 1024) by three different mass spectrometric techniques including electrospray ionization-ion trap-mass spectrometry (ESI-IT-MS), matrix-assisted laser desorption/ionization reflectron time-of-flight (TOF) mass spectrometry (MALDI-RTOF-MS) and reflectron TOF secondary ion mass spectrometry (RTOF-SIMS). The samples were analyzed either directly without any treatment (RTOF-SIMS) or after a simple liquid/liquid extraction step (ESI-IT-MS, MALDI-RTOF-MS and RTOF-SIMS). Direct analysis of the copper wire itself or of the insulation cladding by RTOF-SIMS allowed the detection of at least two of the three antioxidants but at rather low sensitivity as molecular radical cations and with fairly strong fragmentation (due to the highly energetic ion beam of the primary ion gun). ESI-IT- and MALDI-RTOF-MS-generated abundant protonated and/or cationized molecules (ammoniated or sodiated) from the liquid/liquid extract. Only ESI-IT-MS allowed simultaneous detection of all three analytes in the extract of insulation claddings. The latter two so-called 'soft' desorption/ionization techniques exhibited intense fragmentation only by applying low-energy collision-induced dissociation (CID) tandem MS on a multistage ion trap-instrument and high-energy CID on a tandem TOF-instrument (TOF/RTOF), respectively. Strong differences in the fragmentation behavior of the three analytes could be observed between the different CID spectra obtained from either the IT-instrument (collision energy in the very low eV range) or the TOF/RTOF-instrument (collision energy 20 keV), but both delivered important structural information. Copyright 2009 John Wiley & Sons, Ltd.

Dynamic Secondary Ion Mass Spectrometry | Materials Science | NREL

Science.gov (United States)

Ion Mass Spectrometry (SIMS) uses a continuous, focused beam of primary ions to remove material from the surface of a sample by sputtering. The fraction of sputtered material that is ionized is extracted Identifies all elements or isotopes present in a material, from hydrogen to uranium. Different primary-ion

On the SIMS Ionization Probability of Organic Molecules.

Science.gov (United States)

Popczun, Nicholas J; Breuer, Lars; Wucher, Andreas; Winograd, Nicholas

2017-06-01

The prospect of improved secondary ion yields for secondary ion mass spectrometry (SIMS) experiments drives innovation of new primary ion sources, instrumentation, and post-ionization techniques. The largest factor affecting secondary ion efficiency is believed to be the poor ionization probability (α + ) of sputtered material, a value rarely measured directly, but estimated to be in some cases as low as 10 -5 . Our lab has developed a method for the direct determination of α + in a SIMS experiment using laser post-ionization (LPI) to detect neutral molecular species in the sputtered plume for an organic compound. Here, we apply this method to coronene (C 24 H 12 ), a polyaromatic hydrocarbon that exhibits strong molecular signal during gas-phase photoionization. A two-dimensional spatial distribution of sputtered neutral molecules is measured and presented. It is shown that the ionization probability of molecular coronene desorbed from a clean film under bombardment with 40 keV C 60 cluster projectiles is of the order of 10 -3 , with some remaining uncertainty arising from laser-induced fragmentation and possible differences in the emission velocity distributions of neutral and ionized molecules. In general, this work establishes a method to estimate the ionization efficiency of molecular species sputtered during a single bombardment event. Graphical Abstract GRAPHICAL ABSTRACT TEXT HERE] -->.

Chern–Simons theory in SIM(1) superspace

International Nuclear Information System (INIS)

Vohánka, Jiří; Faizal, Mir

2015-01-01

In this paper, we will analyze a three-dimensional supersymmetric Chern–Simons theory in SIM(1) superspace formalism. The breaking of the Lorentz symmetry down to the SIM(1) symmetry breaks half the supersymmetry of the Lorentz invariant theory. So, the supersymmetry of the Lorentz invariant Chern–Simons theory with N=1 supersymmetry will break down to N=1/2 supersymmetry, when the Lorentz symmetry is broken down to the SIM(1) symmetry. First, we will write the Chern–Simons action using SIM(1) projections of N=1 superfields. However, as the SIM(1) transformations of these projections are very complicated, we will define SIM(1) superfields which transform simply under SIM(1) transformations. We will then express the Chern–Simons action using these SIM(1) superfields. Furthermore, we will analyze the gauge symmetry of this Chern–Simons theory. This is the first time that a Chern–Simons theory with N=1/2 supersymmetry will be constructed on a manifold without a boundary

Quantitating subcellular metabolism with multi-isotope imaging mass spectrometry

OpenAIRE

Steinhauser, Matthew L.; Bailey, Andrew; Senyo, Samuel E.; Guillermier, Christelle; Perlstein, Todd S.; Gould, Alex P.; Lee, Richard T.; Lechene, Claude P.

2012-01-01

Mass spectrometry with stable isotope labels has been seminal in discovering the dynamic state of living matter 1,2 but is limited to bulk tissues or cells. We developed multi-isotope imaging mass spectrometry (MIMS) that allowed us to view and measure stable isotope incorporation with sub-micron resolution 3,4 . Here we apply MIMS to diverse organisms, including Drosophila, mice, and humans. We test the “immortal strand hypothesis,” which predicts that during asymmetric stem cell division ch...

Compressed sensing in imaging mass spectrometry

International Nuclear Information System (INIS)

Bartels, Andreas; Dülk, Patrick; Trede, Dennis; Alexandrov, Theodore; Maaß, Peter

2013-01-01

Imaging mass spectrometry (IMS) is a technique of analytical chemistry for spatially resolved, label-free and multipurpose analysis of biological samples that is able to detect the spatial distribution of hundreds of molecules in one experiment. The hyperspectral IMS data is typically generated by a mass spectrometer analyzing the surface of the sample. In this paper, we propose a compressed sensing approach to IMS which potentially allows for faster data acquisition by collecting only a part of the pixels in the hyperspectral image and reconstructing the full image from this data. We present an integrative approach to perform both peak-picking spectra and denoising m/z-images simultaneously, whereas the state of the art data analysis methods solve these problems separately. We provide a proof of the robustness of the recovery of both the spectra and individual channels of the hyperspectral image and propose an algorithm to solve our optimization problem which is based on proximal mappings. The paper concludes with the numerical reconstruction results for an IMS dataset of a rat brain coronal section. (paper)

Automated, feature-based image alignment for high-resolution imaging mass spectrometry of large biological samples

NARCIS (Netherlands)

Broersen, A.; Liere, van R.; Altelaar, A.F.M.; Heeren, R.M.A.; McDonnell, L.A.

2008-01-01

High-resolution imaging mass spectrometry of large biological samples is the goal of several research groups. In mosaic imaging, the most common method, the large sample is divided into a mosaic of small areas that are then analyzed with high resolution. Here we present an automated alignment

High-resolution sub-cellular imaging by correlative NanoSIMS and electron microscopy of amiodarone internalisation by lung macrophages as evidence for drug-induced phospholipidosis.

Science.gov (United States)

Jiang, Haibo; Passarelli, Melissa K; Munro, Peter M G; Kilburn, Matt R; West, Andrew; Dollery, Colin T; Gilmore, Ian S; Rakowska, Paulina D

2017-01-26

Correlative NanoSIMS and EM imaging of amiodarone-treated macrophages shows the internalisation of the drug at a sub-cellular level and reveals its accumulation within the lysosomes, providing direct evidence for amiodarone-induced phospholipidosis. Chemical fixation using tannic acid effectively seals cellular membranes aiding intracellular retention of diffusible drugs.

NanoSIMS Analyses of Mo Indicate Nitrogenase Activity and Help Solve a N and C Fixation Puzzle in a Marine Cyanobacterium

Science.gov (United States)

Pett-Ridge, J.; Weber, P. K.; Finzi, J.; Hutcheon, I. D.; Capone, D. G.

2006-12-01

Diazotrophic cyanobacteria are capable of both CO2 and N2 fixation, yet must separate these two functions because the nitrogenase enzymes used in N2 fixation are strongly inhibited by O2 produced during photosynthesis. Some lineages, such as Anabaena, use specialized cells (heterocysts) to maintain functional segregation. However the mechanism of this segregation is poorly understood in Trichodesmium, a critical component of marine primary production in the tropical and subtropical North Atlantic. While some Trichodesmium studies suggest a temporal segregation of the nitrogen and carbon fixing processes, others indicate nitrogen fixation is spatially isolated in differentiated cells called diazocytes. In order to isolate the intracellular location of N fixation in both species, we used a combination of TEM, SEM and NanoSIMS analysis to map the distribution of C, N and Mo (a critical nitrogenase co-factor) isotopes in intact cells. NanoSIMS is a powerful surface analysis tool which combines nanometer-scale imaging resolution with the high sensitivity of mass spectrometry. Using cells grown in a 13CO^2 and 15N2 enriched atmosphere, our analyses indicate that in Anabaena, heterocysts are consistently enriched in Mo, and Mo accumulation suggests active N fixation (as opposed to N storage). In the non- heterocystous Trichodesmium, Mo is concentrated in sub-regions of individual cells, and is not associated with regions of N storage (cyanophycin granules). We suggest that NanoSIMS mapping of metal enzyme co- factors is a unique method of identifying physiological and morphological characteristics within individual bacterial cells. This combination of NanoSIMS analysis and high resolution microscopy allows isotopic analysis to be linked to morphological features and holds great promise for fine-scale studies of bacteria metabolism.

Isotope analysis of micro metal particles by adopting laser-ablation mass spectrometry

International Nuclear Information System (INIS)

Song, Kyu Seok; Ha, Young Kyung; Han, Sun Ho; Park, Yong Joon; Kim, Won Ho

2005-01-01

The isotope analysis of microparticles in environmental samples as well as laboratory samples is an important task. A special concern is necessary in particle analysis of swipe samples. Micro particles are normally analyzed either by dissolving particles in the solvents and adopting conventional analytical methods or direct analysis method such as a laser-ablation ICP mass spectrometry (LA-ICP-MS), SIMS, and SNMS (sputtered neutral mass spectrometry). But the LA-ICPMS uses large amount of samples because normally laser beam is tightly focused on the target particle for the complete ablation. The SIMS and SNMS utilize ion beams for the generation of sample ions from the particle. But the number of ions generated by an ion beam is less than 5% of the total generated particles in SIMS. The SNMS is also an excellent analytical technique for particle analysis, however, ion beam and frequency tunable laser system are required for the analysis. Recently a direct analysis of elements as well as isotopes by using laser-ablation is recognized one of the most efficient detection technology for particle samples. The laser-ablation mass spectrometry requires only one laser source without frequency tuneability with no sample pretreatment. Therefore this technique is one of the simplest analysis techniques for solid samples as well as particles. In this study as a part of the development of the new isotope analysis techniques for particles samples, a direct laser-ablation is adopted with mass spectrometry. Zinc and gadolinium were chosen as target samples, since these elements have isotopes with minor abundance (0.62% for Zn, and 0.2% for Gd). The preliminary result indicates that isotopes of these two elements are analyzed within 10% of natural abundance with good mass resolution by using direct laser-ablation mass spectrometry

Aroma composition of red wines by different extraction methods and Gas Chromatography-SIM/MASS spectrometry analysis.

Science.gov (United States)

Genovese, Alessandro; Dimaggio, Rosa; Lisanti, Maria Tiziana; Piombino, Paola; Moio, Luigi

2005-06-01

One hundred and one volatile compounds, reported in literature as powerful odorants of wine, were quantified by Gas Chromatography-Selective Ion Monitoring/Mass Spectrometry (GC-SIM/MS) in Primitivo, Aglianico, Merlot and Cabernet Sauvignon red wines. Wine samples were extracted by 3 different extraction methods: 1) separation of the alcoholic fraction from the aqueous phase by salting-out and subsequent extraction by liquid-liquid micro-extraction with 1,1,2-trichlorotrifluoroethane (Freon 113); 2) extraction by liquid-liquid micro-extraction with dichloromethane; 3) solid phase extraction (SPE cartridge: 800 mg of LiChrolut EN resin) with pentane-dichloromethane (20:1) and dichloromethane. The selection of the ion fragments used for quantification was directly performed on a red wine sample. For each compound the area of the corresponding peak was normalized respect to the peak of the internal standard and then interpolated in a calibration curve obtained analysing a model wine solution (water, ethanol, tartaric acid and known amounts of analytes and of internal standard). The methods showed a good linearity: r2>0.990, except for farnesol (isomer a and c), octanal, decanal, furaneol and phenylacetic acid with 0.966 furaneol and sotolon. The Aglianico wines were characterised by the major fermentation compounds (esters, fatty acids and 2-phenylethanol), beta-damascenone, beta-ionone and linalool. The Primitivo wines were characterized by furaneol, methoxypyrazine, gamma-nonalactone and acetaldehyde, while Cabernet Sauvignon and Merlot wines principally by cask derivates (vanillin, (Z) 3-methyl-gamma-octalactone [(Z) wiskylactone], maltol and eugenol), some aldehydes and 3-isopropyl-2-methoxypyrazine.

Imaging and mapping of mouse bone using MALDI-imaging mass spectrometry

Directory of Open Access Journals (Sweden)

Yoko Fujino

2016-12-01

Full Text Available Matrix-assisted laser desorption/ionization-imaging mass spectrometry (MALDI-IMS is an advanced method used globally to analyze the distribution of biomolecules on tissue cryosections without any probes. In bones, however, hydroxyapatite crystals make it difficult to determine the distribution of biomolecules using MALDI-IMS. Additionally, there is limited information regarding the use of this method to analyze bone tissues. To determine whether MALDI-IMS analysis of bone tissues can facilitate comprehensive mapping of biomolecules in mouse bone, we first dissected femurs and tibiae from 8-week-old male mice and characterized the quality of multiple fixation and decalcification methods for preparation of the samples. Cryosections were mounted on indium tin oxide-coated glass slides, dried, and then a matrix solution was sprayed on the tissue surface. Images were acquired using an iMScope at a mass-to-charge range of 100–1000. Hematoxylin-eosin, Alcian blue, Azan, and periodic acid-Schiff staining of adjacent sections was used to evaluate histological and histochemical features. Among the various fixation and decalcification conditions, sections from trichloroacetic acid-treated samples were most suitable to examine both histology and comprehensive MS images. However, histotypic MS signals were detected in all sections. In addition to the MS images, phosphocholine was identified as a candidate metabolite. These results indicate successful detection of biomolecules in bone using MALDI-IMS. Although analytical procedures and compositional adjustment regarding the performance of the device still require further development, IMS appears to be a powerful tool to determine the distribution of biomolecules in bone tissues. Keywords: Matrix-assisted laser desorption/ionization-imaging mass spectrometry, Tissue cryosection, Bone, Fixation, Decalcification

Parallel detection, quantification, and depth profiling of peptides with dynamic-secondary ion mass spectrometry (D-SIMS) ionized by C{sub 60}{sup +}-Ar{sup +} co-sputtering

Energy Technology Data Exchange (ETDEWEB)

Chang, Chi-Jen [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Chang, Hsun-Yun; You, Yun-Wen; Liao, Hua-Yang [Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan (China); Kuo, Yu-Ting; Kao, Wei-Lun; Yen, Guo-Ji; Tsai, Meng-Hung [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Shyue, Jing-Jong, E-mail: shyue@gate.sinica.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 106, Taiwan (China); Research Center for Applied Sciences, Academia Sinica, Taipei 115, Taiwan (China)

2012-03-09

Highlights: Black-Right-Pointing-Pointer Multiple peptides are detected and quantified at the same time without labeling. Black-Right-Pointing-Pointer C{sub 60}{sup +} ion is responsible for generating molecular-specific ions at high mass. Black-Right-Pointing-Pointer The co-sputtering yielded more steady depth profile and more well defined interface. Black-Right-Pointing-Pointer The fluence of auxiliary Ar{sup +} does not affect the quantification curve. Black-Right-Pointing-Pointer The damage from Ar{sup +} is masked by high sputtering yield of C{sub 60}{sup +}. - Abstract: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) using pulsed C{sub 60}{sup +} primary ions is a promising technique for analyzing biological specimens with high surface sensitivities. With molecular secondary ions of high masses, multiple molecules can be identified simultaneously without prior separation or isotope labeling. Previous reports using the C{sub 60}{sup +} primary ion have been based on static-SIMS, which makes depth profiling complicated. Therefore, a dynamic-SIMS technique is reported here. Mixed peptides in the cryoprotectant trehalose were used as a model for evaluating the parameters that lead to the parallel detection and quantification of biomaterials. Trehalose was mixed separately with different concentrations of peptides. The peptide secondary ion intensities (normalized with respect to those of trehalose) were directly proportional to their concentration in the matrix (0.01-2.5 mol%). Quantification curves for each peptide were generated by plotting the percentage of peptides in trehalose versus the normalized SIMS intensities. Using these curves, the parallel detection, identification, and quantification of multiple peptides was achieved. Low energy Ar{sup +} was used to co-sputter and ionize the peptide-doped trehalose sample to suppress the carbon deposition associated with C{sub 60}{sup +} bombardment, which suppressed the ion intensities during the depth

Aldehydes react with scribed silicon to form alkyl monolayers Characterization by ToF-SIMS suggests an even-odd effect

International Nuclear Information System (INIS)

Lua, Y.-Y.; Fillmore, W. Jonathan J.; Linford, Matthew R.

2004-01-01

Alkyl monolayers are formed when silicon is chemomechanically scribed in the presence of aldehydes (from butanal to nonanal). X-ray photoelectron spectroscopy (XPS), wetting, and time-of-flight secondary ion mass spectrometry (ToF-SIMS) suggest increasingly thick and hydrophobic monolayers with increasing aldehyde chain length. Superimposed on the general trend of stronger ToF-SIMS signals for hydrocarbon fragments from longer aldehyde precursors is an even-odd effect. This effect is most pronounced for smaller (one- and two-carbon) hydrocarbon fragments and for monolayers prepared with shorter aldehyde precursors. This is the first time than an even-odd effect has been demonstrated for monolayers on scribed silicon

Aldehydes react with scribed silicon to form alkyl monolayers Characterization by ToF-SIMS suggests an even-odd effect

Energy Technology Data Exchange (ETDEWEB)

Lua, Y.-Y.; Fillmore, W. Jonathan J.; Linford, Matthew R

2004-06-15

Alkyl monolayers are formed when silicon is chemomechanically scribed in the presence of aldehydes (from butanal to nonanal). X-ray photoelectron spectroscopy (XPS), wetting, and time-of-flight secondary ion mass spectrometry (ToF-SIMS) suggest increasingly thick and hydrophobic monolayers with increasing aldehyde chain length. Superimposed on the general trend of stronger ToF-SIMS signals for hydrocarbon fragments from longer aldehyde precursors is an even-odd effect. This effect is most pronounced for smaller (one- and two-carbon) hydrocarbon fragments and for monolayers prepared with shorter aldehyde precursors. This is the first time than an even-odd effect has been demonstrated for monolayers on scribed silicon.

Sequencing Information Management System (SIMS). Final report

Energy Technology Data Exchange (ETDEWEB)

Fields, C.

1996-02-15

A feasibility study to develop a requirements analysis and functional specification for a data management system for large-scale DNA sequencing laboratories resulted in a functional specification for a Sequencing Information Management System (SIMS). This document reports the results of this feasibility study, and includes a functional specification for a SIMS relational schema. The SIMS is an integrated information management system that supports data acquisition, management, analysis, and distribution for DNA sequencing laboratories. The SIMS provides ad hoc query access to information on the sequencing process and its results, and partially automates the transfer of data between laboratory instruments, analysis programs, technical personnel, and managers. The SIMS user interfaces are designed for use by laboratory technicians, laboratory managers, and scientists. The SIMS is designed to run in a heterogeneous, multiplatform environment in a client/server mode. The SIMS communicates with external computational and data resources via the internet.

Molecular mass spectrometry imaging in biomedical and life science research

Czech Academy of Sciences Publication Activity Database

Pól, Jaroslav; Strohalm, Martin; Havlíček, Vladimír; Volný, Michael

2010-01-01

Roč. 134, č. 5 (2010), s. 423-443 ISSN 0948-6143 R&D Projects: GA MŠk LC545; GA ČR GPP206/10/P018 Institutional research plan: CEZ:AV0Z50200510 Keywords : Mass spectrometry * Chemical imaging * Molecular imaging Subject RIV: EE - Microbiology, Virology Impact factor: 4.727, year: 2010

BioFET-SIM

DEFF Research Database (Denmark)

Hediger, M. R.; Martinez, K. L.; Nygård, J.

2013-01-01

Biosensors based on nanowire field effect transistor (FET) have received much attention in recent years as a way to achieve ultra-sensitive and label-free sensing of molecules of biological interest. The BioFET-SIM computer model permits the analysis and interpretation of experimental sensor...... signals through its web-based interface www.biofetsim.org. The model also allows for predictions of the effects of changes in the experimental setup on the sensor signal. After an introduction to nanowire-based FET biosensors, this chapter reviews the theoretical basis of BioFET-SIM models describing both...... single and multiple charges on the analyte. Afterwards the usage of the interface and its relative command line version is briefly shown. Finally, possible applications of the BioFET-SIM model are presented. Among the possible uses of the interface, the effects on the predicted signal of pH, buffer ionic...

siMS Score: Simple Method for Quantifying Metabolic Syndrome.

Science.gov (United States)

Soldatovic, Ivan; Vukovic, Rade; Culafic, Djordje; Gajic, Milan; Dimitrijevic-Sreckovic, Vesna

2016-01-01

To evaluate siMS score and siMS risk score, novel continuous metabolic syndrome scores as methods for quantification of metabolic status and risk. Developed siMS score was calculated using formula: siMS score = 2*Waist/Height + Gly/5.6 + Tg/1.7 + TAsystolic/130-HDL/1.02 or 1.28 (for male or female subjects, respectively). siMS risk score was calculated using formula: siMS risk score = siMS score * age/45 or 50 (for male or female subjects, respectively) * family history of cardio/cerebro-vascular events (event = 1.2, no event = 1). A sample of 528 obese and non-obese participants was used to validate siMS score and siMS risk score. Scores calculated as sum of z-scores (each component of metabolic syndrome regressed with age and gender) and sum of scores derived from principal component analysis (PCA) were used for evaluation of siMS score. Variants were made by replacing glucose with HOMA in calculations. Framingham score was used for evaluation of siMS risk score. Correlation between siMS score with sum of z-scores and weighted sum of factors of PCA was high (r = 0.866 and r = 0.822, respectively). Correlation between siMS risk score and log transformed Framingham score was medium to high for age groups 18+,30+ and 35+ (0.835, 0.707 and 0.667, respectively). siMS score and siMS risk score showed high correlation with more complex scores. Demonstrated accuracy together with superior simplicity and the ability to evaluate and follow-up individual patients makes siMS and siMS risk scores very convenient for use in clinical practice and research as well.

Quantitative analysis of Si1-xGex alloy films by SIMS and XPS depth profiling using a reference material

Science.gov (United States)

Oh, Won Jin; Jang, Jong Shik; Lee, Youn Seoung; Kim, Ansoon; Kim, Kyung Joong

2018-02-01

Quantitative analysis methods of multi-element alloy films were compared. The atomic fractions of Si1-xGex alloy films were measured by depth profiling analysis with secondary ion mass spectrometry (SIMS) and X-ray Photoelectron Spectroscopy (XPS). Intensity-to-composition conversion factor (ICF) was used as a mean to convert the intensities to compositions instead of the relative sensitivity factors. The ICFs were determined from a reference Si1-xGex alloy film by the conventional method, average intensity (AI) method and total number counting (TNC) method. In the case of SIMS, although the atomic fractions measured by oxygen ion beams were not quantitative due to severe matrix effect, the results by cesium ion beam were very quantitative. The quantitative analysis results by SIMS using MCs2+ ions are comparable to the results by XPS. In the case of XPS, the measurement uncertainty was highly improved by the AI method and TNC method.

Small sample analysis using sputter atomization/resonance ionization mass spectrometry

International Nuclear Information System (INIS)

Christie, W.H.; Goeringer, D.E.

1986-01-01

We have used secondary ion mass spectrometry (SIMS) to investigate the emission of ions via argon sputtering from U metal, UO 2 , and U 3 O 8 samples. We have also used laser resonance ionization techniques to study argon-sputtered neutral atoms and molecules emitted from these same samples. For the case of U metal, a significant enhancement in detection sensitivity for U is obtained via SA/RIMS. For U in the fully oxidized form (U 3 O 8 ), SA/RIMS offers no improvement in U detection sensitivity over conventional SIMS when sputtering with argon. 9 refs., 1 fig., 2 tabs

Sample Preparation for Mass Spectrometry Imaging of Plant Tissues: A Review

Science.gov (United States)

Dong, Yonghui; Li, Bin; Malitsky, Sergey; Rogachev, Ilana; Aharoni, Asaph; Kaftan, Filip; Svatoš, Aleš; Franceschi, Pietro

2016-01-01

Mass spectrometry imaging (MSI) is a mass spectrometry based molecular ion imaging technique. It provides the means for ascertaining the spatial distribution of a large variety of analytes directly on tissue sample surfaces without any labeling or staining agents. These advantages make it an attractive molecular histology tool in medical, pharmaceutical, and biological research. Likewise, MSI has started gaining popularity in plant sciences; yet, information regarding sample preparation methods for plant tissues is still limited. Sample preparation is a crucial step that is directly associated with the quality and authenticity of the imaging results, it therefore demands in-depth studies based on the characteristics of plant samples. In this review, a sample preparation pipeline is discussed in detail and illustrated through selected practical examples. In particular, special concerns regarding sample preparation for plant imaging are critically evaluated. Finally, the applications of MSI techniques in plants are reviewed according to different classes of plant metabolites. PMID:26904042

Sample Preparation for Mass Spectrometry Imaging of Plant Tissues: A Review.

Science.gov (United States)

Dong, Yonghui; Li, Bin; Malitsky, Sergey; Rogachev, Ilana; Aharoni, Asaph; Kaftan, Filip; Svatoš, Aleš; Franceschi, Pietro

2016-01-01

Mass spectrometry imaging (MSI) is a mass spectrometry based molecular ion imaging technique. It provides the means for ascertaining the spatial distribution of a large variety of analytes directly on tissue sample surfaces without any labeling or staining agents. These advantages make it an attractive molecular histology tool in medical, pharmaceutical, and biological research. Likewise, MSI has started gaining popularity in plant sciences; yet, information regarding sample preparation methods for plant tissues is still limited. Sample preparation is a crucial step that is directly associated with the quality and authenticity of the imaging results, it therefore demands in-depth studies based on the characteristics of plant samples. In this review, a sample preparation pipeline is discussed in detail and illustrated through selected practical examples. In particular, special concerns regarding sample preparation for plant imaging are critically evaluated. Finally, the applications of MSI techniques in plants are reviewed according to different classes of plant metabolites.

Depth-profile analysis of thermoelectric layers on Si wafers by pulsed r.f. glow discharge time-of-flight mass spectrometry

International Nuclear Information System (INIS)

Reinsberg, K.-G.; Schumacher, C.; Tempez, A.; Nielsch, K.; Broekaert, J.A.C.

2012-01-01

In this work the depth-profile analysis of thermoelectric layers deposited on Au and Cr covered Si wafers with the aid of pulsed radiofrequency glow discharge time-of-flight mass spectrometry (pulsed RF-GD-TOFMS also called plasma profiling TOFMS (PP-TOFMS™)) is described. For thermoelectric materials the depth resolutions obtained with both PP-TOFMS and secondary ion mass spectrometry (SIMS) are shown to be well comparable and in the order of the roughness of the corresponding layers (between 20 and 3700 nm). With both methods a direct solid analysis without any preparation steps is possible. In addition, the analysis of the samples with PP-TOFMS proved to be faster by a factor of 26 compared to SIMS, as sputtering rates were found to be 80 nm s −1 and 3 nm s −1 , respectively. For the analyzed samples the results of PP-TOFMS and SIMS show that a homogeneous deposition was obtained. Quantitative results for all samples could also be obtained directly by PP-TOFMS when the stoichiometry of one sample was determined beforehand for instance by inductively coupled plasma optical emission spectrometry (ICP-OES) and scanning electron microscopy energy dispersive X-ray fluorescence spectrometry (SEM-EDX). For Bi 2 Te 3 the standard deviation for the main component concentrations within one sample then is found to be between 1.1% and 1.9% and it is 3.6% from sample to sample. For Sb 2 Te 3 the values within one sample are from 1.7% to 4.2% and from sample to sample 5.3%, respectively. - Highlights: ► Depth resolution in sub micrometer size by glow discharge mass spectrometry. ► Bi and Sb telluride layers composition with GD-TOF-MS, ICP-OES and SEM-EDX agree. ► Homogeneities of layers measured with GD-TOF-MS and SIMS agree.

siMS Score: Simple Method for Quantifying Metabolic Syndrome

OpenAIRE

Soldatovic, Ivan; Vukovic, Rade; Culafic, Djordje; Gajic, Milan; Dimitrijevic-Sreckovic, Vesna

2016-01-01

Objective To evaluate siMS score and siMS risk score, novel continuous metabolic syndrome scores as methods for quantification of metabolic status and risk. Materials and Methods Developed siMS score was calculated using formula: siMS score = 2*Waist/Height + Gly/5.6 + Tg/1.7 + TAsystolic/130?HDL/1.02 or 1.28 (for male or female subjects, respectively). siMS risk score was calculated using formula: siMS risk score = siMS score * age/45 or 50 (for male or female subjects, respectively) * famil...

Interrogating Host-virus Interactions and Elemental Transfer Using NanoSIMS

Science.gov (United States)

Pasulka, A.; Thamatrakoln, K.; Poulos, B.; Bidle, K. D.; Sullivan, M. B.; Orphan, V. J.

2016-02-01

Marine viruses (bacteriophage and eukaryotic viruses) impact microbial food webs by influencing microbial community structure, carbon and nutrient flow, and serving as agents of gene transfer. While the collective impact of viral activity has become more apparent over the last decade, there is a growing need for single-cell and single-virus level measurements of the associated carbon and nitrogen transfer, which ultimately shape the biogeochemical impact of viruses in the upper ocean. Stable isotopes have been used extensively for understanding trophic relationships and elemental cycling in marine food webs. While single-cell isotope approaches such as nanoscale secondary ion mass spectrometry (nanoSIMS) have been more readily used to study trophic interactions between microorganisms, isotopic enrichment in viruses has not been described. Here we used nanoSIMS to quantify the transfer of stable isotopes (13C and 15N) from host to individual viral particles in two distinct unicellular algal-virus model systems. These model systems represent a eukaryotic phytoplankton (Emiliania huxleyi strain CCMP374) and its 200nm coccolithovirus (EhV207), as well as a cyanobacterial phytoplankton (Synechococcus WH8101) and its 80nm virus (Syn1). Host cells were grown on labeled media for multiple generations, subjected to viral infection, and then viruses were harvested after lysis. In both cases, nanoSIMS measurements were able to detect 13C and 15N in the resulting viral particles significantly above the background noise. The isotopic enrichment in the viral particles mirrored that of the host. Through use of these laboratory model systems, we quantified the sensitivity (ion counts), spatial resolution, and reproducibility, including sources of methodological and biological variability, in stable isotope incorporation into viral particles. Our findings suggest that nanoSIMS can be successfully employed to directly probe virus-host interactions at the resolution of individual

Symposium on fast atom and ion induced mass spectrometry of nonvolatile organic solids

International Nuclear Information System (INIS)

McNeal, C.J.

1982-01-01

The mechanisms of molecular and fragment ion production and the various parameters affecting ion yields were discussed by 6 invited speakers from Europe, Canada, and the US at this symposium. The work reported was almost equally divided between that using low-energy (keV) primary ion (or atom) beams, e.g. fast atom bombardment mass spectrometry (FABMS) and secondary ion mass spectrometry (SIMS) and that using high energy (MeV) particles, e.g. heavy ion induced mass spectrometry (HIIDMS) and 252 Cf-plasma desorption mass spectrometry ( 252 Cf-PDMS). Both theoretical foundations and observed experimental results for both techniques are included

Sims, Christopher Albert (born 1942)

NARCIS (Netherlands)

Boumans, M.; Durlauf, S.N.; Blume, L.E.

2012-01-01

Christopher Sims is one of the leaders in time-series econometrics and empirical macroeconomics and is well known for introducing the VAR approach to econometrics and macroeconomic modelling. Sims' main contribution to empirical macroeconomics was to show how macro-econometric modeling should be

Application of SIMS nano-analysis to the development of new metallurgical solutions

International Nuclear Information System (INIS)

Valle, N.; Drillet, J.; Perlade, A.; Migeon, H.-N.

2008-01-01

One of the reasons for brittleness of Fe-Al-Mn-C alloys developed at ArcelorMittal is the content of carbon in ferrite. The carbon in solid solution is detrimental to ductility because the C atoms are assumed to reduce the mobility of the edge dislocations. This dislocation pinning produces a twinning mechanism and leads to fracture. In order to reduce the brittleness of these materials which is due to the reduction of the carbon in solid solution in the ferrite, experimental measurements of the low carbon level (below 0.05 wt%) was done using secondary ion mass spectrometry (SIMS). To this end, the carbon distribution has been investigated on a Fe-Al-Mn-C grade after different thermal treatments (water quench and slow cooling rate). This paper shows that the SIMS nano-analysis is a well-suited tool to analyse the carbon in solid solution in the ferrite. On the basis of these analyses, it is possible to define thermal treatment conditions necessary to improve the ductility of the material

SimCADO: an instrument data simulator package for MICADO at the E-ELT

NARCIS (Netherlands)

Leschinski, K.; Czoske, O.; Köhler, R.; Mach, M.; Zeilinger, W.; Verdoes Kleijn, G.; Alves, J.; Kausch, W.; Przybilla, N.

2016-01-01

MICADO will be the first-light wide-field imager for the European Extremely Large Telescope (E-ELT) and will provide diffraction limited imaging (7mas at 1.2mm) over a 53 arc-second field of view. In order to support various consortium activities we have developed a first version of SimCADO: an

Mass Spectrometry Imaging for the Classification of Tumor Tissue

NARCIS (Netherlands)

Mascini, N.E.

2016-01-01

Mass spectrometry imaging (MSI) can detect and identify many different molecules without the need for labeling. In addition, it can provide their spatial distributions as ‘molecular maps’. These features make MSI well suited for studying the molecular makeup of tumor tissue. Currently, there is an

Improvement of the Correlative AFM and ToF-SIMS Approach Using an Empirical Sputter Model for 3D Chemical Characterization.

Science.gov (United States)

Terlier, T; Lee, J; Lee, K; Lee, Y

2018-02-06

Technological progress has spurred the development of increasingly sophisticated analytical devices. The full characterization of structures in terms of sample volume and composition is now highly complex. Here, a highly improved solution for 3D characterization of samples, based on an advanced method for 3D data correction, is proposed. Traditionally, secondary ion mass spectrometry (SIMS) provides the chemical distribution of sample surfaces. Combining successive sputtering with 2D surface projections enables a 3D volume rendering to be generated. However, surface topography can distort the volume rendering by necessitating the projection of a nonflat surface onto a planar image. Moreover, the sputtering is highly dependent on the probed material. Local variation of composition affects the sputter yield and the beam-induced roughness, which in turn alters the 3D render. To circumvent these drawbacks, the correlation of atomic force microscopy (AFM) with SIMS has been proposed in previous studies as a solution for the 3D chemical characterization. To extend the applicability of this approach, we have developed a methodology using AFM-time-of-flight (ToF)-SIMS combined with an empirical sputter model, "dynamic-model-based volume correction", to universally correct 3D structures. First, the simulation of 3D structures highlighted the great advantages of this new approach compared with classical methods. Then, we explored the applicability of this new correction to two types of samples, a patterned metallic multilayer and a diblock copolymer film presenting surface asperities. In both cases, the dynamic-model-based volume correction produced an accurate 3D reconstruction of the sample volume and composition. The combination of AFM-SIMS with the dynamic-model-based volume correction improves the understanding of the surface characteristics. Beyond the useful 3D chemical information provided by dynamic-model-based volume correction, the approach permits us to enhance

Characterizing the lipid and metabolite changes associated with placental function and pregnancy complications using ion mobility spectrometry-mass spectrometry and mass spectrometry imaging

Energy Technology Data Exchange (ETDEWEB)

Burnum-Johnson, Kristin E.; Baker, Erin S.; Metz, Thomas O.

2017-12-01

Successful pregnancy is dependent upon discrete biological events, which include embryo implantation, decidualization, and placentation. Problems associated with each of these events can cause infertility or conditions such as preeclampsia. A greater understanding of the molecular changes associated with these complex processes is necessary to aid in identifying treatments for each condition. Previous nuclear magnetic resonance spectroscopy and mass spectrometry studies have been used to identify metabolites and lipids associated with pregnancy-related complications. However, due to limitations associated with conventional implementations of both techniques, novel technology developments are needed to more fully understand the initiation and development of pregnancy related problems at the molecular level. In this perspective, we describe current analytical techniques for metabolomic and lipidomic characterization of pregnancy complications and discuss the potential for new technologies such as ion mobility spectrometry-mass spectrometry and mass spectrometry imaging to contribute to a better understanding of the molecular changes that affect the placenta and pregnancy outcomes.

Bio-SimVerb and Bio-SimLex: wide-coverage evaluation sets of word similarity in biomedicine.

Science.gov (United States)

Chiu, Billy; Pyysalo, Sampo; Vulić, Ivan; Korhonen, Anna

2018-02-05

Word representations support a variety of Natural Language Processing (NLP) tasks. The quality of these representations is typically assessed by comparing the distances in the induced vector spaces against human similarity judgements. Whereas comprehensive evaluation resources have recently been developed for the general domain, similar resources for biomedicine currently suffer from the lack of coverage, both in terms of word types included and with respect to the semantic distinctions. Notably, verbs have been excluded, although they are essential for the interpretation of biomedical language. Further, current resources do not discern between semantic similarity and semantic relatedness, although this has been proven as an important predictor of the usefulness of word representations and their performance in downstream applications. We present two novel comprehensive resources targeting the evaluation of word representations in biomedicine. These resources, Bio-SimVerb and Bio-SimLex, address the previously mentioned problems, and can be used for evaluations of verb and noun representations respectively. In our experiments, we have computed the Pearson's correlation between performances on intrinsic and extrinsic tasks using twelve popular state-of-the-art representation models (e.g. word2vec models). The intrinsic-extrinsic correlations using our datasets are notably higher than with previous intrinsic evaluation benchmarks such as UMNSRS and MayoSRS. In addition, when evaluating representation models for their abilities to capture verb and noun semantics individually, we show a considerable variation between performances across all models. Bio-SimVerb and Bio-SimLex enable intrinsic evaluation of word representations. This evaluation can serve as a predictor of performance on various downstream tasks in the biomedical domain. The results on Bio-SimVerb and Bio-SimLex using standard word representation models highlight the importance of developing dedicated

Surface analysis of lipids by mass spectrometry: more than just imaging.

Science.gov (United States)

Ellis, Shane R; Brown, Simon H; In Het Panhuis, Marc; Blanksby, Stephen J; Mitchell, Todd W

2013-10-01

Mass spectrometry is now an indispensable tool for lipid analysis and is arguably the driving force in the renaissance of lipid research. In its various forms, mass spectrometry is uniquely capable of resolving the extensive compositional and structural diversity of lipids in biological systems. Furthermore, it provides the ability to accurately quantify molecular-level changes in lipid populations associated with changes in metabolism and environment; bringing lipid science to the "omics" age. The recent explosion of mass spectrometry-based surface analysis techniques is fuelling further expansion of the lipidomics field. This is evidenced by the numerous papers published on the subject of mass spectrometric imaging of lipids in recent years. While imaging mass spectrometry provides new and exciting possibilities, it is but one of the many opportunities direct surface analysis offers the lipid researcher. In this review we describe the current state-of-the-art in the direct surface analysis of lipids with a focus on tissue sections, intact cells and thin-layer chromatography substrates. The suitability of these different approaches towards analysis of the major lipid classes along with their current and potential applications in the field of lipid analysis are evaluated. Copyright © 2013 Elsevier Ltd. All rights reserved.

Surface analytical investigation of diamond coatings and nucleation processes by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Steiner, R.

1993-10-01

Imaging SIMS for the investigation of substrate surfaces: the influence of the substrate surface on diamond nucleation is a major topic in the investigation of the chemical vapour deposition (CVD) of diamond. It is well known that the nucleation density can be enhanced by scratching the substrate surface with abrasive powders. Diamond can nucleate at scratches or at residues of the polishing material. In the present work the surface of refractory metals (Mo, Nb, Ta, W) polished with silicon carbide and diamond powder is studied by imaging (2- or 3-D) secondary ion mass spectrometry (SIMS). In first experiments the distribution of SiC and/or diamond residues after polishing was determined. The reaction of diamond with the substrate during heating to deposition temperatures was investigated. Investigation of WC/Co hardmetal substrates: it is well known that Co contained in the binder phase of the hard metal inhibits a strong adhesion between the diamond film and the substrate, which is need for an application as cutting tool. Several attempts to improve the adhesion have been reported up to now. In this work a pre-treatment procedure leading to the formation of Co compounds (borides and silicides) which are stable under diamond deposition conditions were investigated. Furthermore, the application of intermediate sputter layers consisting of chromium and titanium were studied. Investigation of P-doped diamond coatings: in the quaternary phase diagram C-P-B-N exist some phases with diamond structure and superhard phases (e.g BP, c-BN). Also a hypothetical superhard phase of the composition C 3 N 4 is predicted. A scientific objective is the synthesis of such phases by chemical vapour deposition. An increase of the phosphorus concentration effects a distinct change in the morphology of the deposited coatings. A major advantage of SIMS is that the concentration profiles can be measured through the whole film, due to the sputter removal of the sample, and the interface

A novel PFIB sample preparation protocol for correlative 3D X-ray CNT and FIB-TOF-SIMS tomography

Energy Technology Data Exchange (ETDEWEB)

Priebe, Agnieszka, E-mail: agnieszka.priebe@gmail.com [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Audoit, Guillaume; Barnes, Jean-Paul [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France)

2017-02-15

We present a novel sample preparation method that allows correlative 3D X-ray Computed Nano-Tomography (CNT) and Focused Ion Beam Time-Of-Flight Secondary Ion Mass Spectrometry (FIB-TOF-SIMS) tomography to be performed on the same sample. In addition, our invention ensures that samples stay unmodified structurally and chemically between the subsequent experiments. The main principle is based on modifying the topography of the X-ray CNT experimental setup before FIB-TOF-SIMS measurements by incorporating a square washer around the sample. This affects the distribution of extraction field lines and therefore influences the trajectories of secondary ions that are now guided more efficiently towards the detector. As the result, secondary ion detection is significantly improved and higher, i.e. statistically better, signals are obtained. - Highlights: • Novel sample preparation for correlative 3D X-ray CNT and FIB-TOF-SIMS is presented. • Two experiments are conducted on exactly the same sample without any modifications. • Introduction of a square washer around the sample leads to increased ion detection.

Multielement analysis of interplanetary dust particles using TOF-SIMS

Science.gov (United States)

Stephan, T.; Kloeck, W.; Jessberger, E. K.; Rulle, H.; Zehnpfenning, J.

1993-01-01

Sections of three stratospheric particles (U2015G1, W7029*A27, and L2005P9) were analyzed with TOF-SIMS (Time Of Flight-Secondary Ion Mass Spectrometry) continuing our efforts to investigate the element distribution in interplanetary dust particles (IDP's) with high lateral resolution (approximately 0.2 micron), to examine possible atmospheric contamination effects, and to further explore the abilities of this technique for element analysis of small samples. The samples, previously investigated with SXRF (synchrotron X-ray fluorescence analysis), are highly enriched in Br (Br/Fe: 59 x CI, 9.2 x CI, and 116 x CI, respectively). U2015G1 is the IDP with the by far highest Zn/Fe-ratio (81 x CI) ever reported in chondritic particles.

Biomarker discovery in high grade sarcomas by mass spectrometry imaging

OpenAIRE

Lou, S.

2017-01-01

This thesis demonstrates a detailed biomarker discovery Mass Spectrometry Imaging workflow for histologically heterogeneous high grade sarcomas. Panels of protein and metabolite signatures were discovered either distinguishing different histological subtypes or stratifying high risk patients with poor survival.

Reference Materials for Trace Element Microanalysis of Carbonates by SIMS and other Mass Spectrometric Techniques

Science.gov (United States)

Layne, G. D.

2009-12-01

Today, many areas of geochemical research utilize microanalytical determinations of trace elements in carbonate minerals. In particular, there has been an explosion in the application of Secondary Ion Mass Spectrometry (SIMS) to studies of marine biomineralization. SIMS provides highly precise determinations of Mg and Sr at the concentration levels normally encountered in corals, mollusks or fish otoliths. It is also a highly effective means for determining a wide range of other trace elements at ppm levels (e.g., Na, Fe, Mn, Ba, REE, Pb, Th, and U) in a variety of naturally occurring calcite and aragonite matrices - and so is potentially valuable in studies of diagenesis, hydrothermal fluids and carbonatitic magmas. For SIMS, modest time per spot (often sputtered ion yields of most elements with the major element composition of the sample matrix, accuracy of SIMS depends intimately on matrix-matched solid reference materials. Despite its rapidly increasing use for trace element analyses of carbonates, there remains a dearth of certified reference materials suitable for calibrating SIMS. The pressed powders used by some analysts to calibrate LA-ICP-MS do not perform well for SIMS - they are not perfectly dense or homogeneous to the desired level at the micron scale of sampling. Further, they often prove incompatible with the sample high vacuum compatibility requirement for stable SIMS analysis (10-8 to 10-9 torr). Some naturally occurring calcite has apparent utility as a reference material. For example, equigranular calcite from some zones of carbonatite intrusions (sovites) and recrystallized calcites from highly metamorphosed metallic ore deposits. Most calcite marbles, though possibly appropriate as Sr standards, show substantial inhomogeneity in Mg, Mn and Ba. Some hydrothermal “Iceland Spar” calcite may prove useful as a reference for extremely low concentrations of Mg, Sr and Ba. The best carbonatitic calcites currently in use appear homogeneous to

Ion bombardment techniques - recent developments in SIMS

International Nuclear Information System (INIS)

Konarski, P.; Miśnik, M.

2013-01-01

We present a short review of cluster ion bombardment technique recently applied in SIMS. Many advantages of using cluster ion beams are specified over monoatomic ion species. Cluster ions open really new perspectives especially in organic based structures analysis. Nevertheless cluster ions are not the perfect solution and still new ideas of ion erosion in SIMS are needed. Another issue discussed is 'storing matter' technique applied for quantitative analysis in SIMS. Simple idea of sputter deposition of eroded material onto rotating substrate and then analysing the stored material allows to avoid strong matrix effects in SIMS. Presented are the results performed in Tele and Radio Research Institute, Warszawa, Poland. These are the first results of ‘storing matter’ technique performed in one analytical chamber of SIMS instrument. (authors)

microMS: A Python Platform for Image-Guided Mass Spectrometry Profiling

Science.gov (United States)

Comi, Troy J.; Neumann, Elizabeth K.; Do, Thanh D.; Sweedler, Jonathan V.

2017-09-01

Image-guided mass spectrometry (MS) profiling provides a facile framework for analyzing samples ranging from single cells to tissue sections. The fundamental workflow utilizes a whole-slide microscopy image to select targets of interest, determine their spatial locations, and subsequently perform MS analysis at those locations. Improving upon prior reported methodology, a software package was developed for working with microscopy images. microMS, for microscopy-guided mass spectrometry, allows the user to select and profile diverse samples using a variety of target patterns and mass analyzers. Written in Python, the program provides an intuitive graphical user interface to simplify image-guided MS for novice users. The class hierarchy of instrument interactions permits integration of new MS systems while retaining the feature-rich image analysis framework. microMS is a versatile platform for performing targeted profiling experiments using a series of mass spectrometers. The flexibility in mass analyzers greatly simplifies serial analyses of the same targets by different instruments. The current capabilities of microMS are presented, and its application for off-line analysis of single cells on three distinct instruments is demonstrated. The software has been made freely available for research purposes. [Figure not available: see fulltext.

Quantitative evaluation of boron neutron capture therapy (BNCT) drugs for boron delivery and retention at subcellular scale resolution in human glioblastoma cells with imaging secondary ion mass spectrometry (SIMS)

Science.gov (United States)

Chandra, S.; Ahmad, T.; Barth, R. F.; Kabalka, G. W.

2014-01-01

Boron neutron capture therapy (BNCT) of cancer depends on the selective delivery of a sufficient number of boron-10 (10B) atoms to individual tumor cells. Cell killing results from the 10B (n, α)7Li neutron capture and fission reactions that occur if a sufficient number of 10B atoms are localized in the tumor cells. Intranuclear 10B localization enhances the efficiency of cell killing via damage to the DNA. The net cellular content of 10B atoms reflects both bound and free pools of boron in individual tumor cells. The assessment of these pools, delivered by a boron delivery agent, currently cannot be made at subcellular scale resolution by clinically applicable techniques such as PET and MRI. In this study, secondary ion mass spectrometry (SIMS) based imaging instrument, a CAMECA IMS 3f ion microscope, capable of 500 nm spatial resolution was employed. Cryogenically prepared cultured human T98G glioblastoma cells were evaluated for boron uptake and retention of two delivery agents. The first, L-p-boronophenylalanine (BPA), has been used clinically for BNCT of high grade gliomas, recurrent tumors of the head and neck region and melanomas. The second, a boron analogue of an unnatural amino acid, 1-amino-3-borono-cyclopentanecarboxylic acid (cis-ABCPC), has been studied in rodent glioma and melanoma models by quantification of boron in the nucleus and cytoplasm of individual tumor cells. The bound and free pools of boron were assessed by exposure of cells to boron-free nutrient medium. Both BPA and cis-ABCPC delivered almost 70% of the pool of boron in the free or loosely bound form to the nucleus and cytoplasm of human glioblastoma cells. This free pool of boron could be easily mobilized out of the cell and was in some sort of equilibrium with extracellular boron. In the case of BPA, the intracellular free pool of boron also was affected by the presence of phenylalanine in the nutrient medium. This suggests that it might be advantageous if patients were placed on a

SIMS depth profiling of working environment nanoparticles

Science.gov (United States)

Konarski, P.; Iwanejko, I.; Mierzejewska, A.

2003-01-01

Morphology of working environment nanoparticles was analyzed using sample rotation technique in secondary ion mass spectrometry (SIMS). The particles were collected with nine-stage vacuum impactor during gas tungsten arc welding (GTAW) process of stainless steel and shielded metal arc welding (SMAW) of mild steel. Ion erosion of 300-400 nm diameter nanoparticles attached to indium substrate was performed with 2 keV, 100 μm diameter, Ar + ion beam at 45° ion incidence and 1 rpm sample rotation. The results show that both types of particles have core-shell morphology. A layer of fluorine, chlorine and carbon containing compounds covers stainless steel welding fume particles. The cores of these particles are enriched in iron, manganese and chromium. Outer shell of mild steel welding fume particles is enriched in carbon, potassium, chlorine and fluorine, while the deeper layers of these nanoparticles are richer in main steel components.

SIMS depth profiling of working environment nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Konarski, P.; Iwanejko, I.; Mierzejewska, A

2003-01-15

Morphology of working environment nanoparticles was analyzed using sample rotation technique in secondary ion mass spectrometry (SIMS). The particles were collected with nine-stage vacuum impactor during gas tungsten arc welding (GTAW) process of stainless steel and shielded metal arc welding (SMAW) of mild steel. Ion erosion of 300-400 nm diameter nanoparticles attached to indium substrate was performed with 2 keV, 100 {mu}m diameter, Ar{sup +} ion beam at 45 deg. ion incidence and 1 rpm sample rotation. The results show that both types of particles have core-shell morphology. A layer of fluorine, chlorine and carbon containing compounds covers stainless steel welding fume particles. The cores of these particles are enriched in iron, manganese and chromium. Outer shell of mild steel welding fume particles is enriched in carbon, potassium, chlorine and fluorine, while the deeper layers of these nanoparticles are richer in main steel components.

[Determination of acetanilide herbicide residues in tea by gas chromatography-mass spectrometry with two different ionization techniques].

Science.gov (United States)

Shen, Weijian; Xu, Jinzhong; Yang, Wenquan; Shen, Chongyu; Zhao, Zengyun; Ding, Tao; Wu, Bin

2007-09-01

An analytical method of solid phase extraction-gas chromatography-mass spectrometry with two different ionization techniques was established for simultaneous determination of 12 acetanilide herbicide residues in tea-leaves. Herbicides were extracted from tea-leaf samples with ethyl acetate. The extract was cleaned-up on an active carbon SPE column connected to a Florisil SPE column. Analytical screening was determined by the technique of gas chromatography (GC)-mass spectrometry (MS) in the selected ion monitoring (SIM) mode with either electron impact ionization (EI) or negative chemical ionization (NCI). It is reliable and stable that the recoveries of all herbicides were in the range from 50% to 110% at three spiked levels, 10 microg/kg, 20 microg/kg and 40 microg/kg, and the relative standard deviations (RSDs) were no more than 10.9%. The two different ionization techniques are complementary as more ion fragmentation information can be obtained from the EI mode while more molecular ion information from the NCI mode. By comparison of the two techniques, the selectivity of NCI-SIM was much better than that of EI-SIM method. The sensitivities of the both techniques were high, the limit of quantitative (LOQ) for each herbicide was no more than 2.0 microg/kg, and the limit of detection (LOD) with NCI-SIM technique was much lower than that of EI-SIM when analyzing herbicides with several halogen atoms in the molecule.

Analysis of hydrogen isotopes in materials by secondary ion mass spectrometry and nuclear microanalysis

International Nuclear Information System (INIS)

Ross, G.G.

1994-01-01

Only two techniques are really appropriate for the depth profiling of hydrogen isotopes: nuclear microanalysis (NMA) and secondary ion mass spectrometry (SIMS). The intent of this paper is to give an up to date review of both techniques and to show how they can be used in conjunction. Both techniques (SIMS and NMA) will be described briefly. NMA will divided into two different categories: nuclear reaction analysis (NRA) and elastic recoil detection (ERD). Both techniques (SIMS and NMA) will be discussed in terms of sensitivity, resolution, probing depth, quantitative measurement, generality and selectivity, beam induced effects and surface roughness effects. The principal advantages and disadvantages of each of these techniques will be specified, supporting the contention that SIMS and NMA are complementary and should be used in conjunction. Finally, some examples of, and perspectives for, the complementary use of both techniques will be presented. (Author)

ToF-SIMS analysis of a polymer microarray composed of poly(meth)acrylates with C6 derivative pendant groups.

Science.gov (United States)

Hook, Andrew L; Scurr, David J

2016-04-01

Surface analysis plays a key role in understanding the function of materials, particularly in biological environments. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) provides highly surface sensitive chemical information that can readily be acquired over large areas and has, thus, become an important surface analysis tool. However, the information-rich nature of ToF-SIMS complicates the interpretation and comparison of spectra, particularly in cases where multicomponent samples are being assessed. In this study, a method is presented to assess the chemical variance across 16 poly(meth)acrylates. Materials are selected to contain C 6 pendant groups, and ten replicates of each are printed as a polymer microarray. SIMS spectra are acquired for each material with the most intense and unique ions assessed for each material to identify the predominant and distinctive fragmentation pathways within the materials studied. Differentiating acrylate/methacrylate pairs is readily achieved using secondary ions derived from both the polymer backbone and pendant groups. Principal component analysis (PCA) is performed on the SIMS spectra of the 16 polymers, whereby the resulting principal components are able to distinguish phenyl from benzyl groups, mono-functional from multi-functional monomers and acrylates from methacrylates. The principal components are applied to copolymer series to assess the predictive capabilities of the PCA. Beyond being able to predict the copolymer ratio, in some cases, the SIMS analysis is able to provide insight into the molecular sequence of a copolymer. The insight gained in this study will be beneficial for developing structure-function relationships based upon ToF-SIMS data of polymer libraries. © 2016 The Authors Surface and Interface Analysis Published by John Wiley & Sons Ltd.

Monte Carlo simulation and scatter correction of the GE Advance PET scanner with SimSET and Geant4

International Nuclear Information System (INIS)

Barret, Olivier; Carpenter, T Adrian; Clark, John C; Ansorge, Richard E; Fryer, Tim D

2005-01-01

For Monte Carlo simulations to be used as an alternative solution to perform scatter correction, accurate modelling of the scanner as well as speed is paramount. General-purpose Monte Carlo packages (Geant4, EGS, MCNP) allow a detailed description of the scanner but are not efficient at simulating voxel-based geometries (patient images). On the other hand, dedicated codes (SimSET, PETSIM) will perform well for voxel-based objects but will be poor in their capacity of simulating complex geometries such as a PET scanner. The approach adopted in this work was to couple a dedicated code (SimSET) with a general-purpose package (Geant4) to have the efficiency of the former and the capabilities of the latter. The combined SimSET+Geant4 code (SimG4) was assessed on the GE Advance PET scanner and compared to the use of SimSET only. A better description of the resolution and sensitivity of the scanner and of the scatter fraction was obtained with SimG4. The accuracy of scatter correction performed with SimG4 and SimSET was also assessed from data acquired with the 20 cm NEMA phantom. SimG4 was found to outperform SimSET and to give slightly better results than the GE scatter correction methods installed on the Advance scanner (curve fitting and scatter modelling for the 300-650 keV and 375-650 keV energy windows, respectively). In the presence of a hot source close to the edge of the field of view (as found in oxygen scans), the GE curve-fitting method was found to fail whereas SimG4 maintained its performance

Study on the surface chemical properties of UV excimer laser irradiated polyamide by XPS, ToF-SIMS and CFM

International Nuclear Information System (INIS)

Yip, Joanne; Chan, Kwong; Sin, Kwan Moon; Lau, Kai Shui

2002-01-01

Polyamide (nylon 6) was irradiated by a pulsed ultraviolet (UV) excimer laser with a fluence below its ablation threshold. Chemical modifications on laser treated nylon were studied by X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (Tof-SIMS) and chemical force microscopy (CFM). XPS study provides information about changes in chemical composition and the chemical-state of atom types on the fiber surface. The high sensitivity of ToF-SIMS to the topmost layers was used to detect crosslinking after the laser treatment. Gold-coated AFM tips modified with -COOH terminated self-assembled alkanethiol monolayers (SAMs) were used to measure adhesion forces on the untreated and laser treated samples. XPS results revealed that the irradiated samples have higher oxygen content than prior to laser irradiation. Tof-SIMS analysis illustrated that carbonyl groups in nylon 6 decrease significantly but hydroxyl groups increase after low-fluence laser irradiation. The adhesion force measurements by CFM showed spatial distribution of hydroxyl groups on nylon 6 after the laser treatment

Integrating Metagenomics and NanoSIMS to Investigate the Evolution and Ecophysiology of Magnetotactic Bacteria

Science.gov (United States)

Lin, W.; Zhang, W.; He, M.; Pan, Y.

2017-12-01

Magnetotactic bacteria (MTB) synthesize intracellular nano-sized magnetite (Fe3O4) and/or greigite (Fe3S4) crystals, called magnetosomes, which impart a permanent magnetic dipole moment to the cell causing it to align along the geomagnetic field lines as it swims. MTB play essential roles in global cycling of Fe, S, N and C, and represent an excellent model system not just for the investigation of the mechanisms of microbial engines that drive Earth's biogeochemical cycles but also for magnetotaxis and microbial biomineralization. Most of the previous studies on MTB were based on 16S rRNA gene-targeting analyses, which are powerful approaches to characterize the diversity, ecology and biogeography of MTB in nature. However, these approaches are somewhat limited in the physiological detail they can provide. In the present study, we have combined the genome-resolved metagenomics and nanoscale secondary ion mass spectrometry (NanoSIMS) analyses to study the genomic information, biomineralization mechanism and metabolic potential of environmental MTB. Two nearly complete genomes from uncultivated MTB belonging to the Nitrospirae phylum were reconstructed and their proposed metabolisms were further investigated and confirmed through NanoSIMS analyses. These results improve our understanding about the ecophysiology and evolution of MTB and their environmental function. The development of metagenomics-NanoSIMS integrated approach will provide a powerful tool for the research of geomicrobiology and environmental microbiology.

Laser activation-modification of semiconductor surfaces (LAMSS) of 1-alkenes on silicon: A ToF-SIMS, chemometrics, and AFM analysis

International Nuclear Information System (INIS)

Pei Lei; Jiang Guilin; Davis, Robert C.; Shaver, Jeremy M.; Smentkowski, Vincent S.; Asplund, Matthew C.; Linford, Matthew R.

2007-01-01

Laser-activation-modification of semiconductor surfaces (LAMSS) was carried out on silicon with a series of 1-alkenes. These laser spots were studied by time of flight secondary ion mass spectrometry (ToF-SIMS). The resulting spectra were analyzed using the multivariate curve resolution (MCR) method within the Automated eXpert Spectral Image Analysis (AXSIA) toolkit, and also by MCR and cluster analysis using commercially available toolboxes for Matlab: the PLS T oolbox and the MIA T oolbox, respectively. AXSIA based MCR generally finds three components for the spectral images: one for the background and two for the laser-activated spots, for both the positive and negative ion images. The negative ion component spectra from the spots show increased carbon and hydrogen signals compared to oxygen. They also show reduced chlorine and fluorine (contamination) peaks. In order to compare AXSIA-MCR results from different images, the AXSIA component spectra of different spots were further analyzed by principal components analysis (PCA). PCA of all of the negative ion components shows that component 1 is chemically distinct from components 2 and 3. PCA of all of the positive ion components yields the same result. The loadings plots of this PCA analysis confirm that component 1 generally contains fragments expected from the substrate, while components 2 and 3 contain fragments expected from an overlayer composed of alkyl chains in the spots. A comparison of the two MCR analyses suggests that roughly the same information can be obtained from AXSIA, which is not commercially available, and the PLS T oolbox. Cluster analysis of the data also clearly separates the spots from the backgrounds. A key finding from these analyses is that the degree of surface functionalization in a LAMSS spot appears to decrease radially from the center of the spot. Finally, a comparison of atomic force microscopy (AFM) of the spots versus the AXSIA analysis of the ToF-SIMS data produced another

Laser activation-modification of semiconductor surfaces (LAMSS) of 1-alkenes on silicon: A ToF-SIMS, chemometrics, and AFM analysis

Energy Technology Data Exchange (ETDEWEB)

Pei Lei [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Jiang Guilin [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Department of Bioengineering, University of Washington, Seattle, WA (United States); Davis, Robert C. [Department of Physics and Astronomy, Brigham Young University, Provo, UT 84602 (United States); Shaver, Jeremy M. [Eigenvector Research Inc., Wenatchee, WA 98801 (United States); Smentkowski, Vincent S. [GE Global Research, 1 Research Circle, Niskayuna, NY (United States); Asplund, Matthew C. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States); Linford, Matthew R. [Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602 (United States)]. E-mail: mrlinford@chem.byu.edu

2007-04-15

Laser-activation-modification of semiconductor surfaces (LAMSS) was carried out on silicon with a series of 1-alkenes. These laser spots were studied by time of flight secondary ion mass spectrometry (ToF-SIMS). The resulting spectra were analyzed using the multivariate curve resolution (MCR) method within the Automated eXpert Spectral Image Analysis (AXSIA) toolkit, and also by MCR and cluster analysis using commercially available toolboxes for Matlab: the PLS{sub T}oolbox and the MIA{sub T}oolbox, respectively. AXSIA based MCR generally finds three components for the spectral images: one for the background and two for the laser-activated spots, for both the positive and negative ion images. The negative ion component spectra from the spots show increased carbon and hydrogen signals compared to oxygen. They also show reduced chlorine and fluorine (contamination) peaks. In order to compare AXSIA-MCR results from different images, the AXSIA component spectra of different spots were further analyzed by principal components analysis (PCA). PCA of all of the negative ion components shows that component 1 is chemically distinct from components 2 and 3. PCA of all of the positive ion components yields the same result. The loadings plots of this PCA analysis confirm that component 1 generally contains fragments expected from the substrate, while components 2 and 3 contain fragments expected from an overlayer composed of alkyl chains in the spots. A comparison of the two MCR analyses suggests that roughly the same information can be obtained from AXSIA, which is not commercially available, and the PLS{sub T}oolbox. Cluster analysis of the data also clearly separates the spots from the backgrounds. A key finding from these analyses is that the degree of surface functionalization in a LAMSS spot appears to decrease radially from the center of the spot. Finally, a comparison of atomic force microscopy (AFM) of the spots versus the AXSIA analysis of the ToF-SIMS data produced

ToF-SIMS analysis of poly(L-lysine)-graft-poly(2-methyl-2-oxazoline) ultrathin adlayers.

Science.gov (United States)

Pidhatika, Bidhari; Chen, Yin; Coullerez, Geraldine; Al-Bataineh, Sameer; Textor, Marcus

2014-02-01

Understanding of the interfacial chemistry of ultrathin polymeric adlayers is fundamentally important in the context of establishing quantitative design rules for the fabrication of nonfouling surfaces in various applications such as biomaterials and medical devices. In this study, seven poly(L-lysine)-graft-poly(2-methyl-2-oxazoline) (PLL-PMOXA) copolymers with grafting density (number of PMOXA chains per lysine residue) 0.09, 0.14, 0.19, 0.33, 0.43, 0.56, and 0.77, respectively, were synthesized and characterized by means of nuclear magnetic resonance spectroscopy (NMR). The copolymers were then adsorbed on Nb2O5 surfaces. Optical waveguide lightmode spectroscopy method was used to monitor the surface adsorption in situ of these copolymers and provide information on adlayer masses that were then converted into PLL and PMOXA surface densities. To investigate the relationship between copolymer bulk architecture (as shown by NMR data) and surface coverage as well as surface architecture, time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis was performed. Furthermore, ToF-SIMS method combined with principal component analysis (PCA) was used to verify the protein resistant properties of PLL-PMOXA adlayers, by thorough characterization before and after adlayer exposure to human serum. ToF-SIMS analysis revealed that the chemical composition as well as the architecture of the different PLL-PMOXA adlayers indeed reflects the copolymer bulk composition. ToF-SIMS results also indicated a heterogeneous surface coverage of PLL-PMOXA adlayers with high grafting densities higher than 0.33. In the case of protein resistant surface, PCA results showed clear differences between protein resistant and nonprotein-resistant surfaces. Therefore, ToF-SIMS results combined with PCA confirmed that the PLL-PMOXA adlayer with brush architecture resists protein adsorption. However, low increases of some amino acid signals in ToF-SIMS spectra were detected after the adlayer has

Profiling the metabolic signals involved in chemical communication between microbes using imaging mass spectrometry.

Science.gov (United States)

Stasulli, Nikolas M; Shank, Elizabeth A

2016-11-01

The ability of microbes to secrete bioactive chemical signals into their environment has been known for over a century. However, it is only in the last decade that imaging mass spectrometry has provided us with the ability to directly visualize the spatial distributions of these microbial metabolites. This technology involves collecting mass spectra from multiple discrete locations across a biological sample, yielding chemical ‘maps’ that simultaneously reveal the distributions of hundreds of metabolites in two dimensions. Advances in microbial imaging mass spectrometry summarized here have included the identification of novel strain- or coculture-specific compounds, the visualization of biotransformation events (where one metabolite is converted into another by a neighboring microbe), and the implementation of a method to reconstruct the 3D subsurface distributions of metabolites, among others. Here we review the recent literature and discuss how imaging mass spectrometry has spurred novel insights regarding the chemical consequences of microbial interactions.

Accurate depth profiling for ultra-shallow implants using backside-SIMS

International Nuclear Information System (INIS)

Hongo, Chie; Tomita, Mitsuhiro; Takenaka, Miyuki

2004-01-01

We studied methods for accurate depth profiling for ultra-shallow implants using backside-SIMS. For the measurement of ultra-shallow profiles, the effects of surface transient and atomic mixing are not negligible. Therefore, we applied backside-SIMS to analyze ultra-shallow doping in order to exclude these effects. Backside-SIMS profiles show a sharper ion implantation tail than surface-side-SIMS profiles. In addition, the primary ion energy dependence becomes weaker when backside-SIMS is used [Surf. Interf. Anal. 29 (2000) 362; Appl. Surf. Sci. 203-204 (2003) 264; J. Vac. Sci. Technol. B 21 (2003) 1422]. However, the peak concentration of the backside sample was lower than that of the surface-side sample. Therefore, the sample flatness was estimated using the SIMS response function. Furthermore, SIMS profiles were simulated using SIMS response functions. This simulation shows how the sample flatness affects the SIMS profile

Evaluation of process influences on surface chemistry of epoxy acrylate based solder mask via XPS, ToF-SIMS and contact angle measurement

Energy Technology Data Exchange (ETDEWEB)

Hofmeister, Caroline, E-mail: caroline.hofmeister@de.bosch.com [Robert Bosch GmbH, Postfach 30 02 40, 70442 Stuttgart (Germany); Fraunhofer Institute for Manufacturing Technology and Advanced Materials IFAM, Wiener Str. 12, 28359 Bremen (Germany); Maaß, Sebastian [Robert Bosch GmbH, Postfach 30 02 40, 70442 Stuttgart (Germany); Fladung, Thorsten; Mayer, Bernd [Fraunhofer Institute for Manufacturing Technology and Advanced Materials IFAM, Wiener Str. 12, 28359 Bremen (Germany)

2017-01-01

Epoxy acrylate based solder mask formulations were conditioned by different printed circuit board (PCB) manufacturing and PCB assembly process stages. Depending on these different influences the chemistry of the solder mask surface was investigated regarding adhesion to possible adhesion partners. The combination of X-ray photoelectron spectrometry (XPS), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and the contact angle method, for surface energy determination, provided a detailed understanding of the surface near region up to the topmost monolayer, which forms the contact zone in which adhesion takes place. The combination of ToF-SIMS and XPS provided molecular information of surface components comprising quantitative information. The influences of all process steps, like UV, chemical and thermal treatment, on the chemical surface composition and appearance were identified. Based on the results a chemical surface model could be created regarding the different adhesion mechanisms. It has been shown that an enrichment of siloxanes at the surface is generated by different mechanisms that were distinguished based on ToF-SIMS. Even though an oxidation process in the surface near region (10 nm) was indicated by XPS, no increase of the surface polar groups and thus no polarity increase could be observed within the first monolayer. A surface model derived from the analysis results shows generation and occupation of free sites at the surface through all stages of the process. An occupation of free sites by siloxanes from additives in the solder mask formulation results in a siloxane dominated topmost monolayer. - Highlights: • A surface model describing the process influences is proposed. • Detailed siloxane reaction analysis was possible with ToF-SIMS. • Photo-chemical, chemical and thermal surface modification occur during PCB manufacturing.

uleSIMS characterization of silver reference surfaces

Science.gov (United States)

Palitsin, V. V.; Dowsett, M. G.; Mata, B. Guzmán de la; Oloff, I. W.; Gibbons, R.

2006-07-01

Ultra low energy SIMS (uleSIMS) is a high sensitivity analytical technique that is normally used for ultra shallow profiling at a depth resolution of up to1 nm. This work describes the use of uleSIMS as both a spectroscopic and depth-profiling tool for the characterization of the early stages of corrosion formed on reference surfaces of silver. These samples are being developed to help with the characterization of tarnished surfaces in a cultural heritage context, and uleSIMS enables the tarnishing to be studied from its very earliest stages due to its high sensitivity (ppm-ppb) and surface specificity. We show that, uleSIMS can be used effectively to study the surface chemistry and aid the development of reference surfaces themselves. In particular, handling contaminants, surface dust, and residues from polishing are relatively easy to identify allowing them to be separated from the parts of the mass spectrum specific to the early stages of corrosion.

Depth-profile analysis of thermoelectric layers on Si wafers by pulsed r.f. glow discharge time-of-flight mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Reinsberg, K.-G. [Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg (Germany); Schumacher, C. [Institute for Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg (Germany); Tempez, A. [HORIBA Jobin Yvon, 16-18 rue du Canal, F-91160 Longjumeau (France); Nielsch, K. [Institute for Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg (Germany); Broekaert, J.A.C., E-mail: jose.broekaert@chemie.uni-hamburg.de [Institute for Inorganic and Applied Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg (Germany)

2012-10-15

In this work the depth-profile analysis of thermoelectric layers deposited on Au and Cr covered Si wafers with the aid of pulsed radiofrequency glow discharge time-of-flight mass spectrometry (pulsed RF-GD-TOFMS also called plasma profiling TOFMS (PP-TOFMS Trade-Mark-Sign )) is described. For thermoelectric materials the depth resolutions obtained with both PP-TOFMS and secondary ion mass spectrometry (SIMS) are shown to be well comparable and in the order of the roughness of the corresponding layers (between 20 and 3700 nm). With both methods a direct solid analysis without any preparation steps is possible. In addition, the analysis of the samples with PP-TOFMS proved to be faster by a factor of 26 compared to SIMS, as sputtering rates were found to be 80 nm s{sup -1} and 3 nm s{sup -1}, respectively. For the analyzed samples the results of PP-TOFMS and SIMS show that a homogeneous deposition was obtained. Quantitative results for all samples could also be obtained directly by PP-TOFMS when the stoichiometry of one sample was determined beforehand for instance by inductively coupled plasma optical emission spectrometry (ICP-OES) and scanning electron microscopy energy dispersive X-ray fluorescence spectrometry (SEM-EDX). For Bi{sub 2}Te{sub 3} the standard deviation for the main component concentrations within one sample then is found to be between 1.1% and 1.9% and it is 3.6% from sample to sample. For Sb{sub 2}Te{sub 3} the values within one sample are from 1.7% to 4.2% and from sample to sample 5.3%, respectively. - Highlights: Black-Right-Pointing-Pointer Depth resolution in sub micrometer size by glow discharge mass spectrometry. Black-Right-Pointing-Pointer Bi and Sb telluride layers composition with GD-TOF-MS, ICP-OES and SEM-EDX agree. Black-Right-Pointing-Pointer Homogeneities of layers measured with GD-TOF-MS and SIMS agree.

TOF-SIMS analysis of adipose tissue from patients with chronic kidney disease

Science.gov (United States)

Sjövall, Peter; Johansson, Björn; Belazi, Dalila; Stenvinkel, Peter; Lindholm, Bengt; Lausmaa, Jukka; Schalling, Martin

2008-12-01

In this work, time-of-flight secondary ion mass spectrometry (TOF-SIMS) was used for detecting systematic variations in the spatial and compositional distributions of lipids in human tissue samples. Freeze-dried sections of subcutaneous adipose tissue from six chronic kidney disease (CKD) patients and six control subjects were analysed by TOF-SIMS using 25 keV Bi 3+ primary ions. Principal component analysis of signal intensities from different fatty acids, diacylglycerol and triacylglycerol ions showed evidence for systematic variations in the lipid distributions between different samples. The main observed difference in the spectra was a concerted variation in the signal intensities from the saturated lipids relative to the unsaturated lipids, while variations in the fatty acid chain lengths were considerably weaker. Furthermore, the three samples showing the lowest degree of saturation came from CKD patients, while three of the four samples with the highest degree of saturation were from control subjects, indicating that low saturation levels in the glycerol lipid distribution may be more frequent in patients with CKD. Systematic differences in the spatial distributions between saturated and unsaturated glycerol lipids were observed in several analysed areas.

Verification of the sputter-generated 32SFn- (n = 1-6) anions by accelerator mass spectrometry

Science.gov (United States)

Mane, R. G.; Surendran, P.; Kumar, Sanjay; Nair, J. P.; Yadav, M. L.; Hemalatha, M.; Thomas, R. G.; Mahata, K.; Kailas, S.; Gupta, A. K.

2016-01-01

Recently, we have performed systematic Secondary Ion Mass Spectrometry (SIMS) measurements at our ion source test set up and have demonstrated that gas phase 32SFn- (n = 1-6) anions for all size 'n' can be readily generated from a variety of surfaces undergoing Cs+ ion sputtering in the presence of high purity SF6 gas by employing the gas spray-cesium sputter technique. In our SIMS measurements, the isotopic yield ratio 34SFn-/32SFn- (n = 1-6) was found to be close to its natural abundance but not for all size 'n'. In order to gain further insight into the constituents of these molecular anions, ultra sensitive Accelerator Mass Spectrometry (AMS) measurements were conducted with the most abundant 32SFn- (n = 1-6) anions, at BARC-TIFR 14 UD Pelletron accelerator. The results from these measurements are discussed in this paper.

Analyse par ToF-SIMS de matériaux organiques pour les applications en électronique organique

OpenAIRE

Terlier , Tanguy

2015-01-01

During the last decade, organic electronics have developed rapidly. However, the production of organic electronic devices is still impeded because of various technological barriers. Such systems have specific analytical needs and time-of-flight secondary ion mass spectrometry (ToF-SIMS) is per se highly relevant, particularly when considering the use of a new type of ion source based on argon clusters (Arn +). The main objective of this work was therefore to understand the ion-matter interact...

Deep learning for tumor classification in imaging mass spectrometry.

Science.gov (United States)

Behrmann, Jens; Etmann, Christian; Boskamp, Tobias; Casadonte, Rita; Kriegsmann, Jörg; Maaß, Peter

2018-04-01

Tumor classification using imaging mass spectrometry (IMS) data has a high potential for future applications in pathology. Due to the complexity and size of the data, automated feature extraction and classification steps are required to fully process the data. Since mass spectra exhibit certain structural similarities to image data, deep learning may offer a promising strategy for classification of IMS data as it has been successfully applied to image classification. Methodologically, we propose an adapted architecture based on deep convolutional networks to handle the characteristics of mass spectrometry data, as well as a strategy to interpret the learned model in the spectral domain based on a sensitivity analysis. The proposed methods are evaluated on two algorithmically challenging tumor classification tasks and compared to a baseline approach. Competitiveness of the proposed methods is shown on both tasks by studying the performance via cross-validation. Moreover, the learned models are analyzed by the proposed sensitivity analysis revealing biologically plausible effects as well as confounding factors of the considered tasks. Thus, this study may serve as a starting point for further development of deep learning approaches in IMS classification tasks. https://gitlab.informatik.uni-bremen.de/digipath/Deep_Learning_for_Tumor_Classification_in_IMS. jbehrmann@uni-bremen.de or christianetmann@uni-bremen.de. Supplementary data are available at Bioinformatics online.

Identification of Biomarkers of Necrosis in Xenografts Using Imaging Mass Spectrometry.

Science.gov (United States)

Fernández, Roberto; Garate, Jone; Lage, Sergio; Terés, Silvia; Higuera, Mónica; Bestard-Escalas, Joan; López, Daniel H; Guardiola-Serrano, Francisca; Escribá, Pablo V; Barceló-Coblijn, Gwendolyn; Fernández, José A

2016-02-01

Xenografts are commonly used to test the effect of new drugs on human cancer. However, because of their heterogeneity, analysis of the results is often controversial. Part of the problem originates in the existence of tumor cells at different metabolic stages: from metastatic to necrotic cells, as it happens in real tumors. Imaging mass spectrometry is an excellent solution for the analysis of the results as it yields detailed information not only on the composition of the tissue but also on the distribution of the biomolecules within the tissue. Here, we use imaging mass spectrometry to determine the distribution of phosphatidylcholine (PC), phosphatidylethanolamine (PE), and their plasmanyl- and plasmenylether derivatives (PC-P/O and PE-P/O) in xenografts of five different tumor cell lines: A-549, NCI-H1975, BX-PC3, HT29, and U-87 MG. The results demonstrate that the necrotic areas showed a higher abundance of Na(+) adducts and of PC-P/O species, whereas a large abundance of PE-P/O species was found in all the xenografts. Thus, the PC/PC-ether and Na(+)/K(+) ratios may highlight the necrotic areas while an increase on the number of PE-ether species may be pointing to the existence of viable tumor tissues. Furthermore, the existence of important changes in the concentration of Na(+) and K(+) adducts between different tissues has to be taken into account while interpreting the imaging mass spectrometry results. Graphical Abstract ᅟ.

Mass spectrometry imaging of biomarker lipids for phagocytosis and signalling during focal cerebral ischaemia

DEFF Research Database (Denmark)

Nielsen, Mette M B; Lambertsen, Kate L; Clausen, Bettina H

2016-01-01

biomarker CD11b, and probably with cholesteryl ester. Mass spectrometry imaging can visualize spatiotemporal changes in the lipidome during the progression and resolution of focal cerebral inflammation and suggests that BMP(22:6/22:6) and N-acyl-phosphatidylethanolamines can be used as biomarkers......Focal cerebral ischaemia has an initial phase of inflammation and tissue injury followed by a later phase of resolution and repair. Mass spectrometry imaging (desorption electrospray ionization and matrix assisted laser desorption ionization) was applied on brain sections from mice 2 h, 24 h, 5d, 7...

Natural products in Glycyrrhiza glabra (licorice) rhizome imaged at the cellular level by atmospheric pressure matrix-assisted laser desorption/ionization tandem mass spectrometry imaging

DEFF Research Database (Denmark)

Li, Bin; Bhandari, Dhaka Ram; Janfelt, Christian

2014-01-01

The rhizome of Glycyrrhiza glabra (licorice) was analyzed by high-resolution mass spectrometry imaging and tandem mass spectrometry imaging. An atmospheric pressure matrix-assisted laser desorption/ionization imaging ion source was combined with an orbital trapping mass spectrometer in order to o...... and saponins in legume species, combing the spatially resolved chemical information with morphological details at the microscopic level. Furthermore, the technique offers a scheme capable of high-throughput profiling of metabolites in plant tissues....

Determination of B and Li in nuclear materials by secondary-ion mass spectrometry

International Nuclear Information System (INIS)

Eby, R.E.; Christie, W.H.

1981-01-01

Secondary ion mass spectrometry (SIMS) was used to perform mass and isotopic analysis for B and Li in samples that are not readily amenable to more conventional mass spectrometric techniques (e.g., surface ionization, electron impact, etc.). In this paper three specific applications of SIMS analysis to nuclear materials are discussed: first, the quantitative determination of B and its isotopic composition in borosilicate glasses; second, the determination of the isotopic composition of B and Li in irradiated nuclear-grade aluminum oxide/boron carbide composite pellets, and, lastly, the quantitative and isotopic determination of B and Li in highly radioactive solutions of unknown composition

Analysis of hopanes and steranes in single oil-bearing fluid inclusions using time-of-flight secondary ion mass spectrometry (ToF-SIMS).

Science.gov (United States)

Siljeström, S; Lausmaa, J; Sjövall, P; Broman, C; Thiel, V; Hode, T

2010-01-01

Steranes and hopanes are organic biomarkers used as indicators for the first appearance of eukaryotes and cyanobacteria on Earth. Oil-bearing fluid inclusions may provide a contamination-free source of Precambrian biomarkers, as the oil has been secluded from the environment since the formation of the inclusion. However, analysis of biomarkers in single oil-bearing fluid inclusions, which is often necessary due to the presence of different generations of inclusions, has not been possible due to the small size of most inclusions. Here, we have used time-of-flight secondary ion mass spectrometry (ToF-SIMS) to monitor in real time the opening of individual inclusions trapped in hydrothermal veins of fluorite and calcite and containing oil from Ordovician source rocks. Opening of the inclusions was performed by using a focused C(60)(+) ion beam and the in situ content was precisely analysed for C(27)-C(29) steranes and C(29)-C(32) hopanes using Bi(3)(+) as primary ions. The capacity to unambiguously detect these biomarkers in the picoliter amount of crude oil from a single, normal-sized (15-30 mum in diameter) inclusion makes the approach promising in the search of organic biomarkers for life's early evolution on Earth.

Organic secondary ion mass spectrometry: sensitivity enhancement by gold deposition.

Science.gov (United States)

Delcorte, A; Médard, N; Bertrand, P

2002-10-01

Hydrocarbon oligomers, high-molecular-weight polymers, and polymer additives have been covered with 2-60 nmol of gold/cm2 in order to enhance the ionization efficiency for static secondary ion mass spectrometry (s-SIMS) measurements. Au-cationized molecules (up to -3,000 Da) and fragments (up to the trimer) are observed in the positive mass spectra of metallized polystyrene (PS) oligomer films. Beyond 3,000 Da, the entanglement of polymer chains prevents the ejection of intact molecules from a "thick" organic film. This mass limit can be overcome by embedding the polymer chains in a low-molecular-weight matix. The diffusion of organic molecules over the metal surfaces is also demonstrated for short PS oligomers. In the case of high-molecular-weight polymers (polyethylene, polypropylene, PS) and polymer additives (Irganox 1010, Irgafos 168), the metallization procedure induces a dramatic increase of the fingerprint fragment ion yields as well as the formation of new Aucationized species that can be used for chemical diagnostics. In comparison with the deposition of submonolayers of organic molecules on metallic surfaces, metal evaporation onto organic samples provides a comparable sensitivity enhancement. The distinct advantage of the metal evaporation procedure is that it can be used for any kind of organic sample, irrespective of thickness, opening new perspectives for "real world" sample analysis and chemical imaging by s-SIMS.

Characterization of gate oxynitrides by means of time of flight secondary ion mass spectrometry and x-ray photoelectron spectroscopy. Quantification of nitrogen

International Nuclear Information System (INIS)

Ferrari, S.; Perego, M.; Fanciulli, M.

2002-01-01

We present a methodology for the quantitative estimation of nitrogen in ultrathin oxynitrides by means of time of flight secondary ion mass spectrometry (TOF-SIMS) and x-ray photoelectron spectroscopy (XPS). We consider an innovative approach to TOF-SIMS depth profiling, by elemental distribution of single species as sum of peaks containing such species. This approach is very efficient in overcoming matrix effect arising when quantifying elements were distributed in silicon and silicon oxide. We use XPS to calibrate TOF-SIMS and to obtain quantitative information on nitrogen distribution in oxynitride thin layers. In the method we propose we process TOF-SIMS and XPS data simultaneously to obtain a quantitative depth profile

Cosensitized Porphyrin System for High-Performance Solar Cells with TOF-SIMS Analysis.

Science.gov (United States)

Wu, Wenjun; Xiang, Huaide; Fan, Wei; Wang, Jinglin; Wang, Haifeng; Hua, Xin; Wang, Zhaohui; Long, Yitao; Tian, He; Zhu, Wei-Hong

2017-05-17

To date, development of organic sensitizers has been predominately focused on light harvesting, highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels, and the electron transferring process. In contrast, their adsorption mode as well as the dynamic loading behavior onto nanoporous TiO 2 is rarely considered. Herein, we have employed the time-of-flight secondary ion mass spectrometry (TOF-SIMS) to gain insight into the competitive dye adsorption mode and kinetics in the cosensitized porphyrin system. Using novel porphyrin dye FW-1 and D-A-π-A featured dye WS-5, the different bond-breaking mode in TOF-SIMS and dynamic dye-loading amount during the coadsorption process are well-compared with two different anchoring groups, such as benzoic acid and cyanoacrylic acid. With the bombardment mode in TOF-SIMS spectra, we have speculated that the cyano group grafts onto nanoporous TiO 2 as tridentate binding for the common anchoring unit of cyanoacrylic acid and confirmed it through extensive first-principles density functional theory calculation by anchoring either the carboxyl or cyano group, which shows that the cyano group can efficiently participate in the adsorption of the WS-5 molecule onto the TiO 2 nanocrystal. The grafting reinforcement interaction between the cyano group and TiO 2 in WS-5 can well-explain the rapid adsorption characteristics. A strong coordinate bond between the lone pair of electrons on the nitrogen or oxygen atom and the Lewis acid sites of TiO 2 can increase electron injection efficiencies with respect to those from the bond between the benzoic acid group and the Brønsted acid sites of the TiO 2 surface. Upon optimization of the coadsorption process with dye WS-5, the photoelectric conversion efficiency based on porphyrin dye FW-1 is increased from 6.14 to 9.72%. The study on the adsorption dynamics of organic sensitizers with TOF-SIMS analysis might provide a new venue for improvement of cosensitized solar

Using matrix peaks to map topography: Increased mass resolution and enhanced sensitivity in chemical imaging

NARCIS (Netherlands)

McDonnell, Liam A.; Mize, Todd H.; Luxembourg, Stefan L.; Koster, Sander; Eijkel, Gert B.; Verpoorte, Elisabeth; De Rooij, Nico F.; Heeren, Ron M. A.

2003-01-01

It is well known in secondary ion mass spectrometry (SIMS) that sample topography leads to decreased mass resolution. Specifically, the ion's time of flight is dependent on where it was generated. Here, using matrix-enhanced SIMS, it is demonstrated that, in addition to increasing the yield of

Determination of 4-Methylimidazole in Ammonia Caramel Using Gas Chromatography–Tandem Mass Spectrometry (GC-MS/MS

Directory of Open Access Journals (Sweden)

Martyna N. Wieczorek

2018-01-01

Full Text Available One of Maillard reaction products formed in the production of ammonia caramel is 4(5-methylimidazole (4-MeI classified as carcinogen. A method of 4-MeI determination based on ion-pair extraction and derivatisation with isobutyl chloroformate with subsequent gas chromatography-tandem mass spectrometry analysis was proposed. Tandem mass spectrometry was applied to reduce the influence of matrix and increase the selectivity and sensitivity of the method. Triple quadrupole GC-MS system was used for this study. The collision energies were optimized for MRM mode. The detection (LOD and quantification limits (LOQ of the elaborated method were 17 and 37.8 μg kg−1, respectively, repeatability was <15% RSD for analyzed caramel samples, and the recovery for 4-MeI was 101%. Comparison of MS/MS with SIM detection on the same instrument proved almost 30 times lower LODs achieved by tandem mass spectrometry compared to SIM. Described method can be routinely used for monitoring 4-MeI as a quality and safety marker in the production of ammonia caramel.

Chemical and structural analysis of the bone-implant interface by TOF-SIMS, SEM, FIB and TEM: Experimental study in animal

International Nuclear Information System (INIS)

Palmquist, Anders; Emanuelsson, Lena; Sjövall, Peter

2012-01-01

Although bone-anchored implants are widely used in reconstructive medicine, the mechanism of osseointegration is still not fully understood. Novel analytical tools are needed to further understand this process, where both the chemical and structural aspects of the bone-implant interface are important. The aim of this study was to evaluate the advantages of combining time-of-flight secondary ion mass spectroscopy (TOF-SIMS) with optical (LM), scanning (SEM) and transmission electron microscopy (TEM) techniques for studying the bone-implant interface of bone-anchored implants. Laser-modified titanium implants with surrounded bone retrieved after 8 weeks healing in rabbit were dehydrated and resin embedded. Three types of sample preparation were studied to evaluate the information gained by combining TOF-SIMS, SEM, FIB and TEM. The results show that imaging TOF-SIMS can provide detailed chemical information, which in combination with structural information from microscopy methods provide a more complete characterization of anatomical structures at the bone-implant interface. By investigating various sample preparation techniques, it is shown that grinded cross section samples can be used for chemical imaging using TOF-SIMS, if careful consideration of potential preparation artifacts is taken into account. TOF-SIMS analysis of FIB-prepared bone/implant cross section samples show distinct areas corresponding to bone tissue and implant with a sharp interface, although without chemical information about the organic components.

Ultrasensitive probing of the protein resistance of PEG surfaces by secondary ion mass spectrometry

DEFF Research Database (Denmark)

Kingshott, P.; McArthur, S.; Thissen, H.

2002-01-01

The highly sensitive surface analytical techniques X-ray photoelectron spectroscopy (XPS) and time-of-flight static secondary ion mass spectrometry (ToF-SIMS) were used to test the resistance of poly(ethylene glycol) (PEG) coatings towards adsorption of lysozyme (LYS) and fibronectin (FN). PEG co...

Overview of Single-Molecule Speckle (SiMS) Microscopy and Its Electroporation-Based Version with Efficient Labeling and Improved Spatiotemporal Resolution

Science.gov (United States)

Yamashiro, Sawako; Watanabe, Naoki

2017-01-01

Live-cell single-molecule imaging was introduced more than a decade ago, and has provided critical information on remodeling of the actin cytoskeleton, the motion of plasma membrane proteins, and dynamics of molecular motor proteins. Actin remodeling has been the best target for this approach because actin and its associated proteins stop diffusing when assembled, allowing visualization of single-molecules of fluorescently-labeled proteins in a state specific manner. The approach based on this simple principle is called Single-Molecule Speckle (SiMS) microscopy. For instance, spatiotemporal regulation of actin polymerization and lifetime distribution of actin filaments can be monitored directly by tracking actin SiMS. In combination with fluorescently labeled probes of various actin regulators, SiMS microscopy has contributed to clarifying the processes underlying recycling, motion and remodeling of the live-cell actin network. Recently, we introduced an electroporation-based method called eSiMS microscopy, with high efficiency, easiness and improved spatiotemporal precision. In this review, we describe the application of live-cell single-molecule imaging to cellular actin dynamics and discuss the advantages of eSiMS microscopy over previous SiMS microscopy. PMID:28684722

Overview of Single-Molecule Speckle (SiMS) Microscopy and Its Electroporation-Based Version with Efficient Labeling and Improved Spatiotemporal Resolution.

Science.gov (United States)

Yamashiro, Sawako; Watanabe, Naoki

2017-07-06

Live-cell single-molecule imaging was introduced more than a decade ago, and has provided critical information on remodeling of the actin cytoskeleton, the motion of plasma membrane proteins, and dynamics of molecular motor proteins. Actin remodeling has been the best target for this approach because actin and its associated proteins stop diffusing when assembled, allowing visualization of single-molecules of fluorescently-labeled proteins in a state specific manner. The approach based on this simple principle is called Single-Molecule Speckle (SiMS) microscopy. For instance, spatiotemporal regulation of actin polymerization and lifetime distribution of actin filaments can be monitored directly by tracking actin SiMS. In combination with fluorescently labeled probes of various actin regulators, SiMS microscopy has contributed to clarifying the processes underlying recycling, motion and remodeling of the live-cell actin network. Recently, we introduced an electroporation-based method called eSiMS microscopy, with high efficiency, easiness and improved spatiotemporal precision. In this review, we describe the application of live-cell single-molecule imaging to cellular actin dynamics and discuss the advantages of eSiMS microscopy over previous SiMS microscopy.

fastSIM: a practical implementation of fast structured illumination microscopy

Science.gov (United States)

Lu-Walther, Hui-Wen; Kielhorn, Martin; Förster, Ronny; Jost, Aurélie; Wicker, Kai; Heintzmann, Rainer

2015-03-01

A significant improvement in acquisition speed of structured illumination microscopy (SIM) opens a new field of applications to this already well-established super-resolution method towards 3D scanning real-time imaging of living cells. We demonstrate a method of increased acquisition speed on a two-beam SIM fluorescence microscope with a lateral resolution of ~100 nm at a maximum raw data acquisition rate of 162 frames per second (fps) with a region of interest of 16.5  ×  16.5 µm2, free of mechanically moving components. We use a programmable spatial light modulator (ferroelectric LCOS) which promises precise and rapid control of the excitation pattern in the sample plane. A passive Fourier filter and a segmented azimuthally patterned polarizer are used to perform structured illumination with maximum contrast. Furthermore, the free running mode in a modern sCMOS camera helps to achieve faster data acquisition.

Three-dimensional molecular imaging using mass spectrometry and atomic force microscopy

Energy Technology Data Exchange (ETDEWEB)

Wucher, Andreas [Department of Physics, University of Duisburg-Essen, D-47048 Duisburg (Germany)], E-mail: andreas.wucher@uni-due.de; Cheng Juan; Zheng Leiliang; Willingham, David; Winograd, Nicholas [Department of Chemistry, Pennsylvania State University, University Park, PA 16802 (United States)

2008-12-15

We combine imaging ToF-SIMS depth profiling and wide area atomic force microscopy to analyze a test structure consisting of a 300 nm trehalose film deposited on a Si substrate and pre-structured by means of a focused 15-keV Ga{sup +} ion beam. Depth profiling is performed using a 40-keV C{sub 60}{sup +} cluster ion beam for erosion and mass spectral data acquisition. A generic protocol for depth axis calibration is described which takes into account both lateral and in-depth variations of the erosion rate. By extrapolation towards zero analyzed lateral area, an 'intrinsic' depth resolution of about 8 nm is found which appears to be characteristic of the cluster-surface interaction process.

ToF-SIMS Investigation of the Effectiveness of Acid-Cleaning procedures for Genesis Solar Wind Collectors

Science.gov (United States)

Goreva, Y. S.; Humanyun, M.; Burnett, D. S.; Jurewicz, A. J.; Gonzalez, C. P.

2014-01-01

ToF-SIMS images of Genesis sample surfaces contain an incredible amount of important information, but they also show that the crash-derived surface contamination has many components, presenting a challenge to cleaning. Within the variability, we have shown that there are some samples which appear to be clean to begin with, e.g. 60471, and some are more contaminated. Samples 60493 and 60500 are a part of a focused study of the effectiveness of aqua regia and/or sulfuric acid cleaning of small flight Si implanted with Li-6 using ToF-SIMS.

Proceedings of the second Alfred O. Nier symposium on inorganic mass spectrometry

International Nuclear Information System (INIS)

Green, L.W.

1996-01-01

The proceedings are organized under the following headings: thermal ionization mass spectrometry, applications and instrumentation; inductively coupled plasma and glow discharge mass spectrometry; gases; laser resonance ionization; general. Topics of nuclear significance include: determination of trace iron in zirconium; characterization of uranium in surface waters; subpicogram quantities of technetium; measurement of isotope ratios; determination of hydrogen and deuterium in zirconium and its alloys; Kr and Xe isotopic measurements; Kr-85 detection; SIMS study of zirconium corrosion; isotopes at CEA (Commissariat a l'Energie Atomique). All the papers have been abstracted separately for INIS

Chemical abrasion-SIMS (CA-SIMS) U-Pb dating of zircon from the late Eocene Caetano caldera, Nevada

Science.gov (United States)

Watts, Kathryn E.; Coble, Matthew A.; Vazquez, Jorge A.; Henry, Christopher D.; Colgan, Joseph P.; John, David A.

2016-01-01

Zircon geochronology is a critical tool for establishing geologic ages and time scales of processes in the Earth's crust. However, for zircons compromised by open system behavior, achieving robust dates can be difficult. Chemical abrasion (CA) is a routine step prior to thermal ionization mass spectrometry (TIMS) dating of zircon to remove radiation-damaged parts of grains that may have experienced open system behavior and loss of radiogenic Pb. While this technique has been shown to improve the accuracy and precision of TIMS dating, its application to high-spatial resolution dating methods, such as secondary ion mass spectrometry (SIMS), is relatively uncommon. In our efforts to U-Pb date zircons from the late Eocene Caetano caldera by SIMS (SHRIMP-RG: sensitive high resolution ion microprobe, reverse geometry), some grains yielded anomalously young U-Pb ages that implicated Pb-loss and motivated us to investigate with a comparative CA and non-CA dating study. We present CA and non-CA 206Pb/238U ages and trace elements determined by SHRIMP-RG for zircons from three Caetano samples (Caetano Tuff, Redrock Canyon porphyry, and a silicic ring-fracture intrusion) and for R33 and TEMORA-2 reference zircons. We find that non-CA Caetano zircons have weighted mean or bimodal U-Pb ages that are 2–4% younger than CA zircons for the same samples. CA Caetano zircons have mean U-Pb ages that are 0.4–0.6 Myr older than the 40Ar/39Ar sanidine eruption age (34.00 ± 0.03 Ma; error-weighted mean, 2σ), whereas non-CA zircons have ages that are 0.7–1.3 Myr younger. U-Pb ages do not correlate with U (~ 100–800 ppm), Th (~ 50–300 ppm) or any other measured zircon trace elements (Y, Hf, REE), and CA and non-CA Caetano zircons define identical trace element ranges. No statistically significant difference in U-Pb age is observed for CA versus non-CA R33 or TEMORA-2 zircons. Optical profiler measurements of ion microprobe pits demonstrate consistent depths of ~ 1.6�

Preparation of Single Cells for Imaging Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Berman, E S; Fortson, S L; Kulp, K S; Checchi, K D; Wu, L; Felton, J S; Wu, K J

2007-10-24

Characterizing chemical changes within single cells is important for determining fundamental mechanisms of biological processes that will lead to new biological insights and improved disease understanding. Imaging biological systems with mass spectrometry (MS) has gained popularity in recent years as a method for creating precise chemical maps of biological samples. In order to obtain high-quality mass spectral images that provide relevant molecular information about individual cells, samples must be prepared so that salts and other cell-culture components are removed from the cell surface and the cell contents are rendered accessible to the desorption beam. We have designed a cellular preparation protocol for imaging MS that preserves the cellular contents for investigation and removes the majority of the interfering species from the extracellular matrix. Using this method, we obtain excellent imaging results and reproducibility in three diverse cell types: MCF7 human breast cancer cells, Madin-Darby canine kidney (MDCK) cells, and NIH/3T3 mouse fibroblasts. This preparation technique allows routine imaging MS analysis of cultured cells, allowing for any number of experiments aimed at furthering scientific understanding of molecular processes within individual cells.

Microscale soil structure development after glacial retreat - using machine-learning based segmentation of elemental distributions obtained by NanoSIMS

Science.gov (United States)

Schweizer, Steffen; Schlueter, Steffen; Hoeschen, Carmen; Koegel-Knabner, Ingrid; Mueller, Carsten W.

2017-04-01

Soil organic matter (SOM) is distributed on mineral surfaces depending on physicochemical soil properties that vary at the submicron scale. Nanoscale secondary ion mass spectrometry (NanoSIMS) can be used to visualize the spatial distribution of up to seven elements simultaneously at a lateral resolution of approximately 100 nm from which patterns of SOM coatings can be derived. Existing computational methods are mostly confined to visualization and lack spatial quantification measures of coverage and connectivity of organic matter coatings. This study proposes a methodology for the spatial analysis of SOM coatings based on supervised pixel classification and automatic image analysis of the 12C, 12C14N (indicative for SOM) and 16O (indicative for mineral surfaces) secondary ion distributions. The image segmentation of the secondary ion distributions into mineral particle surface and organic coating was done with a machine learning algorithm, which accounts for multiple features like size, color, intensity, edge and texture in all three ion distributions simultaneously. Our workflow allowed the spatial analysis of differences in the SOM coverage during soil development in the Damma glacier forefield (Switzerland) based on NanoSIMS measurements (n=121; containing ca. 4000 particles). The Damma chronosequence comprises several stages of soil development with increasing ice-free period (from ca. 15 to >700 years). To investigate mineral-associated SOM in the developing soil we obtained clay fractions (2.2 g cm3). We found increased coverage and a simultaneous development from patchy-distributed organic coatings to more connected coatings with increasing time after glacial retreat. The normalized N:C ratio (12C14N: (12C14N + 12C)) on the organic matter coatings was higher in the medium-aged soils than in the young and mature ones in both heavy and light mineral fraction. This reflects the sequential accumulation of proteinaceous SOM in the medium-aged soils and C

Toxicity of Food-Grade TiO2 to Commensal Intestinal and Transient Food-Borne Bacteria: New Insights Using Nano-SIMS and Synchrotron UV Fluorescence Imaging

Science.gov (United States)

Radziwill-Bienkowska, Joanna M.; Talbot, Pauline; Kamphuis, Jasper B. J.; Robert, Véronique; Cartier, Christel; Fourquaux, Isabelle; Lentzen, Esther; Audinot, Jean-Nicolas; Jamme, Frédéric; Réfrégiers, Matthieu; Bardowski, Jacek K.; Langella, Philippe; Kowalczyk, Magdalena; Houdeau, Eric; Thomas, Muriel; Mercier-Bonin, Muriel

2018-01-01

Titanium dioxide (TiO2) is commonly used as a food additive (E171 in the EU) for its whitening and opacifying properties. However, a risk of intestinal barrier disruption, including dysbiosis of the gut microbiota, is increasingly suspected because of the presence of a nano-sized fraction in this additive. We hypothesized that food-grade E171 and Aeroxyde P25 (identical to the NM-105 OECD reference nanomaterial in the European Union Joint Research Centre) interact with both commensal intestinal bacteria and transient food-borne bacteria under non-UV-irradiated conditions. Based on differences in their physicochemical properties, we expect a difference in their respective effects. To test these hypotheses, we chose a panel of eight Gram-positive/Gram-negative bacterial strains, isolated from different biotopes and belonging to the species Escherichia coli, Lactobacillus rhamnosus, Lactococcus lactis (subsp. lactis and cremoris), Streptococcus thermophilus, and Lactobacillus sakei. Bacterial cells were exposed to food-grade E171 vs. P25 in vitro and the interactions were explored with innovative (nano)imaging methods. The ability of bacteria to trap TiO2 was demonstrated using synchrotron UV fluorescence imaging with single cell resolution. Subsequent alterations in the growth profiles were shown, notably for the transient food-borne L. lactis and the commensal intestinal E. coli in contact with food-grade TiO2. However, for both species, the reduction in cell cultivability remained moderate, and the morphological and ultrastructural damages, observed with electron microscopy, were restricted to a small number of cells. E. coli exposed to food-grade TiO2 showed some internalization of TiO2 (7% of cells), observed with high-resolution nano-secondary ion mass spectrometry (Nano-SIMS) chemical imaging. Taken together, these data show that E171 may be trapped by commensal and transient food-borne bacteria within the gut. In return, it may induce some physiological

Toxicity of Food-Grade TiO2 to Commensal Intestinal and Transient Food-Borne Bacteria: New Insights Using Nano-SIMS and Synchrotron UV Fluorescence Imaging.

Science.gov (United States)

Radziwill-Bienkowska, Joanna M; Talbot, Pauline; Kamphuis, Jasper B J; Robert, Véronique; Cartier, Christel; Fourquaux, Isabelle; Lentzen, Esther; Audinot, Jean-Nicolas; Jamme, Frédéric; Réfrégiers, Matthieu; Bardowski, Jacek K; Langella, Philippe; Kowalczyk, Magdalena; Houdeau, Eric; Thomas, Muriel; Mercier-Bonin, Muriel

2018-01-01

Titanium dioxide (TiO 2 ) is commonly used as a food additive (E171 in the EU) for its whitening and opacifying properties. However, a risk of intestinal barrier disruption, including dysbiosis of the gut microbiota, is increasingly suspected because of the presence of a nano-sized fraction in this additive. We hypothesized that food-grade E171 and Aeroxyde P25 (identical to the NM-105 OECD reference nanomaterial in the European Union Joint Research Centre) interact with both commensal intestinal bacteria and transient food-borne bacteria under non-UV-irradiated conditions. Based on differences in their physicochemical properties, we expect a difference in their respective effects. To test these hypotheses, we chose a panel of eight Gram-positive/Gram-negative bacterial strains, isolated from different biotopes and belonging to the species Escherichia coli , Lactobacillus rhamnosus , Lactococcus lactis (subsp. lactis and cremoris ), Streptococcus thermophilus , and Lactobacillus sakei . Bacterial cells were exposed to food-grade E171 vs. P25 in vitro and the interactions were explored with innovative (nano)imaging methods. The ability of bacteria to trap TiO 2 was demonstrated using synchrotron UV fluorescence imaging with single cell resolution. Subsequent alterations in the growth profiles were shown, notably for the transient food-borne L. lactis and the commensal intestinal E. coli in contact with food-grade TiO 2 . However, for both species, the reduction in cell cultivability remained moderate, and the morphological and ultrastructural damages, observed with electron microscopy, were restricted to a small number of cells. E. coli exposed to food-grade TiO 2 showed some internalization of TiO 2 (7% of cells), observed with high-resolution nano-secondary ion mass spectrometry (Nano-SIMS) chemical imaging. Taken together, these data show that E171 may be trapped by commensal and transient food-borne bacteria within the gut. In return, it may induce some

Molecular weight evaluation of poly-dimethylsiloxane on solid surfaces using silver deposition/TOF-SIMS

Science.gov (United States)

Inoue, Masae; Murase, Atsushi

2004-06-01

Molecular ions include information about end groups, functional groups and molecular weight. A method for directly detecting this in the high-mass region of the spectrum (>1000 amu) from poly-dimethylsiloxane (PDMS) on a solid surface was investigated. It was found that a TOF-SIMS analysis of silver-deposited surfaces (silver deposition/TOF-SIMS) is useful for this purpose. Two methods for silver deposition, the diode sputtering method and the vacuum evaporation coating method, were tried. The former required the sample to be cooled so as to prevent the damage of the sample surface due to thermal oxidation; the latter caused no damage to sample surfaces at room temperature. Using silver deposition/TOF-SIMS analysis, silver-cationized quasi-molecular ions were clearly detected from PDMS on solid surfaces and their images were observed without the interference of deposited silver. By applying to the analysis of paint defects, etc., it was confirmed that this technique is useful to analyze practical industrial materials. Silver-cationized ions were detected not only from PDMS, but also from other organic materials, such as some kinds of lubricant additives and fluorine oils on solid surfaces. Therefore, silver deposition/TOF-SIMS was proved to be useful for the analysis of thin substances on solid surfaces.

Effect of previous administration of propyl-thiouracil on thyroid distribution of radioiodine. Contribution of secondary ion mass spectrometry microscopy to microdosimetry; Influence de l`administration prealable d`un antithyroidien de synthese (PTU) sur la distribution thyroidienne de l`iode radioactif. Apport de la microscopie ionique analytique a la microdosimetrie

Energy Technology Data Exchange (ETDEWEB)

Makki, B. [Centre Hospitalier Universitaire, 59 - Lille (France); Briancon, C.; Gavoille, A.; Fragu, P. [Centre de Lutte Contre le Cancer Gustave-Roussy, 94 - Villejuif (France)

1995-12-31

Radiation dose delivered to thyroid gland after radioiodine treatment for Graves` disease is modified by administration of propyl-thiouracil (PTU) which decreases the radioactive iodine uptake and increases its distribution heterogeneity within the thyroid follicle. Using secondary ion mass spectrometry (SIMS) microscopy which is able to map quantitatively chemical elements on histological specimen, we measured stable ({sup 127} I) and radioactive ({sup 129} I) iodine concentration within thyroid follicles of mice. Furthermore, we estimated the size of thyroid follicles and their spacing using image analysis processing. We demonstrated that only SIMS parameters were determinant for microdosimetry in the three experimental groups studied: treated with radioiodine or PTU therapy (A) or after short disrupting (B) and control (C). It is for the group B that the therapeutic conditions are best. Our results underline the interest of SIMS for revisiting dosimetry in metabolic radiotherapy. (authors). 21 refs., 2 tabs., 2 figs.

Binding properties of SUMO-interacting motifs (SIMs) in yeast.

Science.gov (United States)

Jardin, Christophe; Horn, Anselm H C; Sticht, Heinrich

2015-03-01

Small ubiquitin-like modifier (SUMO) conjugation and interaction play an essential role in many cellular processes. A large number of yeast proteins is known to interact non-covalently with SUMO via short SUMO-interacting motifs (SIMs), but the structural details of this interaction are yet poorly characterized. In the present work, sequence analysis of a large dataset of 148 yeast SIMs revealed the existence of a hydrophobic core binding motif and a preference for acidic residues either within or adjacent to the core motif. Thus the sequence properties of yeast SIMs are highly similar to those described for human. Molecular dynamics simulations were performed to investigate the binding preferences for four representative SIM peptides differing in the number and distribution of acidic residues. Furthermore, the relative stability of two previously observed alternative binding orientations (parallel, antiparallel) was assessed. For all SIMs investigated, the antiparallel binding mode remained stable in the simulations and the SIMs were tightly bound via their hydrophobic core residues supplemented by polar interactions of the acidic residues. In contrary, the stability of the parallel binding mode is more dependent on the sequence features of the SIM motif like the number and position of acidic residues or the presence of additional adjacent interaction motifs. This information should be helpful to enhance the prediction of SIMs and their binding properties in different organisms to facilitate the reconstruction of the SUMO interactome.

In Situ SIMS and IR Spectroscopy of Well-Defined Surfaces Prepared by Soft Landing of Mass-Selected Ions

Energy Technology Data Exchange (ETDEWEB)

Johnson, Grant E.; Gunaratne, Kalupathirannehelage Don D.; Laskin, Julia

2014-06-16

Soft landing of mass-selected ions onto surfaces is a powerful approach for the highly-controlled preparation of materials that are inaccessible using conventional synthesis techniques. Coupling soft landing with in situ characterization using secondary ion mass spectrometry (SIMS) and infrared reflection absorption spectroscopy (IRRAS) enables analysis of well-defined surfaces under clean vacuum conditions. The capabilities of three soft-landing instruments constructed in our laboratory are illustrated for the representative system of surface-bound organometallics prepared by soft landing of mass-selected ruthenium tris(bipyridine) dications, [Ru(bpy)3]2+, onto carboxylic acid terminated self-assembled monolayer surfaces on gold (COOH-SAMs). In situ time-of-flight (TOF)-SIMS provides insight into the reactivity of the soft-landed ions. In addition, the kinetics of charge reduction, neutralization and desorption occurring on the COOH-SAM both during and after ion soft landing are studied using in situ Fourier transform ion cyclotron resonance (FT-ICR)-SIMS measurements. In situ IRRAS experiments provide insight into how the structure of organic ligands surrounding metal centers is perturbed through immobilization of organometallic ions on COOH-SAM surfaces by soft landing. Collectively, the three instruments provide complementary information about the chemical composition, reactivity and structure of well-defined species supported on surfaces.

fastSIM: a practical implementation of fast structured illumination microscopy

International Nuclear Information System (INIS)

Lu-Walther, Hui-Wen; Kielhorn, Martin; Förster, Ronny; Jost, Aurélie; Wicker, Kai; Heintzmann, Rainer

2015-01-01

A significant improvement in acquisition speed of structured illumination microscopy (SIM) opens a new field of applications to this already well-established super-resolution method towards 3D scanning real-time imaging of living cells. We demonstrate a method of increased acquisition speed on a two-beam SIM fluorescence microscope with a lateral resolution of ∼100 nm at a maximum raw data acquisition rate of 162 frames per second (fps) with a region of interest of 16.5  ×  16.5 µm 2 , free of mechanically moving components. We use a programmable spatial light modulator (ferroelectric LCOS) which promises precise and rapid control of the excitation pattern in the sample plane. A passive Fourier filter and a segmented azimuthally patterned polarizer are used to perform structured illumination with maximum contrast. Furthermore, the free running mode in a modern sCMOS camera helps to achieve faster data acquisition. (paper)

Metal oxide collectors for storing matter technique applied in secondary ion mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Miśnik, Maciej [Institute of Tele and Radio Technology, ul. Ratuszowa 11, 03-450 Warszawa (Poland); Gdańsk University of Technology (Poland); Konarski, Piotr [Institute of Tele and Radio Technology, ul. Ratuszowa 11, 03-450 Warszawa (Poland); Zawada, Aleksander [Institute of Tele and Radio Technology, ul. Ratuszowa 11, 03-450 Warszawa (Poland); Military University of Technology, Warszawa (Poland)

2016-03-15

We present results of the use of metal and metal oxide substrates that serve as collectors in ‘storing matter’, the quantitative technique of secondary ion mass spectrometry (SIMS). This technique allows separating the two base processes of secondary ion formation in SIMS. Namely, the process of ion sputtering is separated from the process of ionisation. The technique allows sputtering of the analysed sample and storing the sputtered material, with sub-monolayer coverage, onto a collector surface. Such deposits can be then analysed by SIMS, and as a result, the so called ‘matrix effects’ are significantly reduced. We perform deposition of the sputtered material onto Ti and Cu substrates and also onto metal oxide substrates as molybdenum, titanium, tin and indium oxides. The process of sputtering is carried within the same vacuum chamber where the SIMS analysis of the collected material is performed. For sputtering and SIMS analysis of the deposited material we use 5 keV Ar{sup +} beam of 500 nA. The presented results are obtained with the use of stationary collectors. Here we present a case study of chromium. The obtained results show that the molybdenum and titanium oxide substrates used as collectors increase useful yield by two orders, with respect to such pure elemental collectors as Cu and Ti. Here we define useful yield as a ratio of the number of detected secondary ions during SIMS analysis and the number of atoms sputtered during the deposition process.

Exploring surface photoreaction dynamics using pixel imaging mass spectrometry (PImMS)

Science.gov (United States)

Kershis, Matthew D.; Wilson, Daniel P.; White, Michael G.; John, Jaya John; Nomerotski, Andrei; Brouard, Mark; Lee, Jason W. L.; Vallance, Claire; Turchetta, Renato

2013-08-01

A new technique for studying surface photochemistry has been developed using an ion imaging time-of-flight mass spectrometer in conjunction with a fast camera capable of multimass imaging. This technique, called pixel imaging mass spectrometry (PImMS), has been applied to the study of butanone photooxidation on TiO2(110). In agreement with previous studies of this system, it was observed that the main photooxidation pathway for butanone involves ejection of an ethyl radical into vacuum which, as confirmed by our imaging experiment, undergoes fragmentation after ionization in the mass spectrometer. This proof-of-principle experiment illustrates the usefulness and applicability of PImMS technology to problems of interest within the surface science community.

SIMS: addressing the problem of heterogeneity in databases

Science.gov (United States)

Arens, Yigal

1997-02-01

The heterogeneity of remotely accessible databases -- with respect to contents, query language, semantics, organization, etc. -- presents serious obstacles to convenient querying. The SIMS (single interface to multiple sources) system addresses this global integration problem. It does so by defining a single language for describing the domain about which information is stored in the databases and using this language as the query language. Each database to which SIMS is to provide access is modeled using this language. The model describes a database's contents, organization, and other relevant features. SIMS uses these models, together with a planning system drawing on techniques from artificial intelligence, to decompose a given user's high-level query into a series of queries against the databases and other data manipulation steps. The retrieval plan is constructed so as to minimize data movement over the network and maximize parallelism to increase execution speed. SIMS can recover from network failures during plan execution by obtaining data from alternate sources, when possible. SIMS has been demonstrated in the domains of medical informatics and logistics, using real databases.

Measurement of the redistribution of arsenic at nickel silicide/silicon interface by secondary ion mass spectrometry: artifact and optimized analysis conditions

International Nuclear Information System (INIS)

Hoummada, K.; Mangelinck, D.; Perrin, C.; Carron, V.; Holliger, P.

2008-01-01

The arsenic redistribution after NiSi formation has been measured by secondary ion mass spectrometry (SIMS). The NiSi film has been obtained by solid state reaction of a Ni thin film with a silicon substrate doped with As. An increase in the As SIMS signal at the NiSi/Si interface was observed for some experimental conditions. By varying the SIMS experimental parameters (incidence angle and the impact energy), the As signal at NiSi/Si interface was found to change. The SIMS experimental parameters have been optimized and were found to be an impact energy of 1 keV and an incidence angle superior to 50 deg. This allows us to minimize differences in sputtering rate and ion yield between NiSi and Si and to obtain a good depth resolution and dynamic range. Under these conditions the bump in the As signal does not appear: this illustrates the difficulty to measure concentration at interface by SIMS

Transient effects in SIMS analysis of Si with Cs sup + at high incidence angles Secondary ion yield variations

CERN Document Server

Heide, P A W

2002-01-01

Secondary ion mass spectrometry (SIMS) depth profile analysis of Si wafers using 1 keV Cs sup + primary ions at large incidence angles (80 deg. ) is plagued by unusually strong transient effects (variations in both sputter and ion yields). Analysis of a native oxide terminated Si wafer with and without the aid of an O sub 2 leak, and an Ar sup + pre-sputtered wafer revealed correlations between the implanted Cs content and various secondary ion intensities consistent with that expected from a resonance charge transfer process (that assumed by the electron tunneling model). Cs concentrations were defined through X-ray photoelectron spectroscopy of the sputtered surface from SIMS profiles terminated within the transient region. These scaled with the surface roughening occurring under these conditions and can be explained as resulting from the associated drop in sputter rates. An O induced transient effect from the native oxide was also identified. Characterization of these effects allowed the reconstruction of ...

Ion implantation artifacts observed in depth profiling boron in silicon by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Chi, P.; Simons, D.S.

1987-01-01

A comparison study of depth profiling by secondary ion mass spectrometry (SIMS) and neutron depth profiling (NDP) was recently conducted. The specimens were portions of 5 cm diameter single crystal silicon slices in which B-10 had been implanted at various fluences and energies. NDP measurements were made on a 13 mm diameter area at the center of the wafers. SIMS measurements were taken from a 60 μm diameter area approximately 16 mm from the center of the wafer. One observation that emerged from this work was an apparent discrepancy between the profiles of B-10 measured by DNP and SIMS. The peaks of the SIMS profiles were typically deeper than those of NDP by as much as 30 nm, which is 10% of the projected range for a 70 keV implant. Moreover, the profiles could not be made to coincide by either a constant shift or a proportional change of one depth scale with respect to the other. The lateral inhomogeneity of boron that these experiments have demonstrated arises from the variable contribution of ion channeling during implantation

Anti-theft device staining on banknotes detected by mass spectrometry imaging.

Science.gov (United States)

Correa, Deleon Nascimento; Zacca, Jorge Jardim; Rocha, Werickson Fortunato de Carvalho; Borges, Rodrigo; de Souza, Wanderley; Augusti, Rodinei; Eberlin, Marcos Nogueira; Vendramini, Pedro Henrique

2016-03-01

We describe the identification and limits of detection of ink staining by mass spectrometry imaging (MSI), as used in anti-theft devices (ATDs). Such ink staining is applied to banknotes during automated teller machine (ATM) explosions. Desorption electrospray ionization (DESI) coupled with high-resolution and high-accuracy orbitrap mass spectrometry (MS) and a moving stage device were applied to obtain 2D molecular images of the major dyes used for staining, that is, 1-methylaminoanthraquinone (MAAQ), rhodamine B (RB) and rhodamine 6G (R6G). MAAQ could not be detected because of its inefficient desorption by DESI from the banknote cellulose surface. By contrast, ATD staining on banknotes is perceptible by the human naked eye only at concentrations higher than 0.2 μg cm(-2), whereas both RB and R6G at concentrations 200 times lower (as low as 0.001 μg cm(-2)) could be easily detected and imaged by DESI-MSI, with selective and specific identification of each analyte and their spatial distribution on samples from suspects. This technique is non-destructive, and no sample preparation is required, which ensures sample preservation for further forensic investigations. Copyright © 2016. Published by Elsevier Ireland Ltd.

Targeted Multiplex Imaging Mass Spectrometry with Single Chain Fragment Variable (scfv) Recombinant Antibodies

Science.gov (United States)

Thiery, Gwendoline; Mernaugh, Ray L.; Yan, Heping; Spraggins, Jeffrey M.; Yang, Junhai; Parl, Fritz F.; Caprioli, Richard M.

2012-10-01

Recombinant scfv antibodies specific for CYP1A1 and CYP1B1 P450 enzymes were combined with targeted imaging mass spectrometry to simultaneously detect the P450 enzymes present in archived, paraffin-embedded, human breast cancer tissue sections. By using CYP1A1 and CYP1B1 specific scfv, each coupled to a unique reporter molecule (i.e., a mass tag) it was possible to simultaneously detect multiple antigens within a single tissue sample with high sensitivity and specificity using mass spectrometry. The capability of imaging multiple antigens at the same time is a significant advance that overcomes technical barriers encountered when using present day approaches to develop assays that can simultaneously detect more than a single antigen in the same tissue sample.

Characterization of electroless Au, Pt and Pd contacts on CdTe and ZnTe by RBS and SIMS techniques

Energy Technology Data Exchange (ETDEWEB)

Roumie, M. E-mail: mroumie@cnrs.edu.lb; Hageali, M.; Zahraman, K.; Nsouli, B.; Younes, G

2004-06-01

Rutherford backscattering spectrometry (RBS) was applied to characterize Au, Pt and Pd contacts on II-VI semiconductor materials, CdTe and ZnTe, used as nuclear detectors. Electroless thin film depositions were prepared by changing the concentration of the reaction solution. Contrary to the deposition reaction time, it was observed that the amount of solution dilution degree had a considerable effect on increasing the thickness of the metal layer. Furthermore, PICTS electrical measurements confirmed the depth profile analysis performed by RBS and SIMS.

Meet interesting abbreviations in clinical mass spectrometry: from compound classification by REIMS to multimodal and mass spectrometry imaging (MSI)

Czech Academy of Sciences Publication Activity Database

Luptáková, Dominika; Pluháček, Tomáš; Palyzová, Andrea; Přichystal, Jakub; Balogh, J.; Lemr, Karel; Juránek, I.; Havlíček, Vladimír

2017-01-01

Roč. 61, č. 3 (2017), s. 353-360 ISSN 0001-723X R&D Projects: GA MŠk(CZ) LO1509; GA ČR(CZ) GA16-20229S Institutional support: RVO:61388971 Keywords : REIMS * multimodal * mass spectrometry imaging Subject RIV: EE - Microbiology, Virology OBOR OECD: Microbiology Impact factor: 0.673, year: 2016

Matrix-assisted laser desorption/ionisation mass spectrometry imaging and its development for plant protein imaging

Directory of Open Access Journals (Sweden)

Millar A Harvey

2011-07-01

Full Text Available Abstract Matrix-Assisted Laser Desorption/Ionisation (MALDI mass spectrometry imaging (MSI uses the power of high mass resolution time of flight (ToF mass spectrometry coupled to the raster of lasers shots across the cut surface of tissues to provide new insights into the spatial distribution of biomolecules within biological tissues. The history of this technique in animals and plants is considered and the potential for analysis of proteins by this technique in plants is discussed. Protein biomarker identification from MALDI-MSI is a challenge and a number of different approaches to address this bottleneck are discussed. The technical considerations needed for MALDI-MSI are reviewed and these are presented alongside examples from our own work and a protocol for MALDI-MSI of proteins in plant samples.

SimPackJ/S: a web-oriented toolkit for discrete event simulation

Science.gov (United States)

Park, Minho; Fishwick, Paul A.

2002-07-01

SimPackJ/S is the JavaScript and Java version of SimPack, which means SimPackJ/S is a collection of JavaScript and Java libraries and executable programs for computer simulations. The main purpose of creating SimPackJ/S is that we allow existing SimPack users to expand simulation areas and provide future users with a freeware simulation toolkit to simulate and model a system in web environments. One of the goals for this paper is to introduce SimPackJ/S. The other goal is to propose translation rules for converting C to JavaScript and Java. Most parts demonstrate the translation rules with examples. In addition, we discuss a 3D dynamic system model and overview an approach to 3D dynamic systems using SimPackJ/S. We explain an interface between SimPackJ/S and the 3D language--Virtual Reality Modeling Language (VRML). This paper documents how to translate C to JavaScript and Java and how to utilize SimPackJ/S within a 3D web environment.

SimNEC : research platform for studying human functioning in NCW

NARCIS (Netherlands)

Veen, H.A.H.C. van; Graaf, B. de; Essens, P.

2006-01-01

SimNEC is TNOÆs grand scheme for experimentally studying human factors issues related to NEC/NCW. The research platform SimNEC consists of multidisciplinary expert teams, long-term research programmes, and a local network of state-of-the-art simulator modules. SimNEC does not focus on technology,

Imaging by atomic force microscopy of the properties difference of the layers covering the facets created during SIMS analysis

Energy Technology Data Exchange (ETDEWEB)

Fares, B., E-mail: boubker.fares@hotmail.fr [Université Mohammed V-Agdal, Faculté des Sciences, LPM, B.P. 1014 Rabat (Morocco); Gautier, B.; Albertini, D. [Institut des Nanotechnologies de Lyon, UMR CNRS 5511, Université de Lyon, 7 Avenue Capelle, 69621 Villeurbanne (France); Mzerd, A.; Loghmarti, M. [Université Mohammed V-Agdal, Faculté des Sciences, LPM, B.P. 1014 Rabat (Morocco)

2014-07-01

Atomic force microscopy (AFM) is used in tapping mode in order to study the roughness created in the crater bottom during secondary ions mass spectrometry (SIMS) analysis in silicon, using O{sub 2}{sup +} primary ions without flooding. Previous studies of the chemical composition of the facets created during the analysis have lead to the conclusion that the facets oriented toward the O{sub 2}{sup +} beam during the ionic bombardment were close to SiO{sub 2} in composition, while the facets hidden from the beam were covered with a sub-stoichiometric oxide SiO{sub x} (with x < 2). We show that the AFM phase contrast during tapping mode observation of the facets reflects this composition difference, revealing a sharp contrast between the facets. The observed contrast may arise from the different chemical composition of the facets, leading to a different energy dissipation of the tip/sample system over Si and SiO{sub 2} due to the different properties of the materials (hardness, adhesion, etc.). As a comparison, an observation of a surface covered with SiO{sub 2} and Si (SiO{sub 2} deposed with a 90 nm or 4 nm thickness, and partially removed from a Si surface) shows the same kind of contrast.

Imaging mass spectrometry tackles interfacial challenges in electrochemistry

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiao-Ying

2017-12-01

Electrochemistry has played a significant role in many research fields. Owing to its sensitivity and selectivity, in situ electroanalysis has been widely used as a fast and economical means for achieving outstanding results. Although many spectroscopic techniques have been used in electrochemistry, the challenges to capture short-lived intermediate species as a result of electron transfer in the buried solid electrode and electrolyte solution interface remains a grand challenge. In situ imaging mass spectrometry (IMS) recently has been extended to capture transient species in electrochemistry. This review intends to summarize newest development of IMS and its applications in advancing fundamental electrochemistry.

nmsBuilder: Freeware to create subject-specific musculoskeletal models for OpenSim.

Science.gov (United States)

Valente, Giordano; Crimi, Gianluigi; Vanella, Nicola; Schileo, Enrico; Taddei, Fulvia

2017-12-01

Musculoskeletal modeling and simulations of movement have been increasingly used in orthopedic and neurological scenarios, with increased attention to subject-specific applications. In general, musculoskeletal modeling applications have been facilitated by the development of dedicated software tools; however, subject-specific studies have been limited also by time-consuming modeling workflows and high skilled expertise required. In addition, no reference tools exist to standardize the process of musculoskeletal model creation and make it more efficient. Here we present a freely available software application, nmsBuilder 2.0, to create musculoskeletal models in the file format of OpenSim, a widely-used open-source platform for musculoskeletal modeling and simulation. nmsBuilder 2.0 is the result of a major refactoring of a previous implementation that moved a first step toward an efficient workflow for subject-specific model creation. nmsBuilder includes a graphical user interface that provides access to all functionalities, based on a framework for computer-aided medicine written in C++. The operations implemented can be used in a workflow to create OpenSim musculoskeletal models from 3D surfaces. A first step includes data processing to create supporting objects necessary to create models, e.g. surfaces, anatomical landmarks, reference systems; and a second step includes the creation of OpenSim objects, e.g. bodies, joints, muscles, and the corresponding model. We present a case study using nmsBuilder 2.0: the creation of an MRI-based musculoskeletal model of the lower limb. The model included four rigid bodies, five degrees of freedom and 43 musculotendon actuators, and was created from 3D surfaces of the segmented images of a healthy subject through the modeling workflow implemented in the software application. We have presented nmsBuilder 2.0 for the creation of musculoskeletal OpenSim models from image-based data, and made it freely available via nmsbuilder

ToF-SIMS study of growth behavior in all-nanoparticle multilayer films using a novel indicator layer

International Nuclear Information System (INIS)

Chen, B.-J.; Yin, Y.-S.; Ling, Y.-C.

2008-01-01

All-nanoparticle multilayer films found novel applications in the areas of photonics, catalysis, sensors, and biomaterials. The assembly of nanoparticles into conformal and uniform films with precise control over chemical and physical properties poses a significant challenge. Using time-of-flight secondary ion mass spectrometry (ToF-SIMS), we have investigated the growth behavior in all-nanoparticle multilayer films using a novel indicator layer. The all-nanoparticle multilayer films were prepared by dipping the polyester substrate with electrostatic charges alternatively into solutions containing three different types of nanoparticles (TiO 2 , Al 2 O 3 , and SiO 2 ). Upon the deposition of each layer, ToF-SIMS was employed to determine the surface chemical composition of intermediate products. The intermixing extent of TiO 2 indicator layer was used to reveal the stratification of each layer. Combining with zeta-potential measurements, the solvation and deposition of the under-layer species in the aqueous environment during fresh layer formation was proposed as a plausible cause for mutilayers not stratified into well-defined layers but displaying a nonlinear growth behavior.

Investigation of anodic TiO2 nanotube composition with high spatial resolution AES and ToF SIMS

Science.gov (United States)

Dronov, Alexey; Gavrilin, Ilya; Kirilenko, Elena; Dronova, Daria; Gavrilov, Sergey

2018-03-01

High resolution Scanning Auger Electron Spectroscopy (AES) and Time-of-Flight Secondary Ion Mass-Spectrometry (ToF SIMS) were used to investigate structure and elemental composition variation of both across an array of TiO2 nanotubes (NTs) and single tube of an array. The TiO2 NT array was grown by anodic oxidation of Ti foil in fluorine-containing ethylene glycol electrolyte. It was found that the studied anodic TiO2 nanotubes have a layered structure with rather sharp interfaces. The differences in AES depth profiling results of a single tube with the focused primary electron beam (point analysis) and over an area of 75 μm in diameter of a nanotube array with the defocused primary electron beam are discussed. Depth profiling by ToF SIMS was carried out over approximately the same size of a nanotube array to determine possible ionic fragments in the structure. The analysis results show that the combination of both mentioned methods is useful for a detailed analysis of nanostructures with complex morphology and multi-layered nature.

Sim-based detection tools to minimize motorcycle theft

Science.gov (United States)

Triansyah, F. A.; Mudhafar, Z.; Lestari, C.; Amilia, S.; Ruswana, N. D.; Junaeti, E.

2018-05-01

The number of motorcycles in Indonesia spurs the increased criminal acts of motorcycle theft. In addition, the number of motorcycles increases the number of traffic accidents caused by improper motorists. The purpose of this research is to make METEOR (SIM Detector) which is a tool to detect the feasibility of SIM (driver license) which is used to operate and protect motorcycle against theft. METEOR is made through the assembly, encoding, testing, and sequencing stages of the motorcycle. Based on the research that has been done, METEOR generated that can detect the SIM by using additional RFID chip and can be set on the motorcycle. Without the proper SIM, motorized chests coupled with METEOR cannot be turned on. So it can be concluded that motorcycles with additional METEOR is able to be a safety device against theft and as a tool to test the feasibility of motorcycle riders.

The eponymous Dr James Marion Sims MD, LLD (1813-1883).

Science.gov (United States)

West, M J; Irvine, L M

2015-02-01

Dr James Marion Sims was born in 1813 in Lancaster County, South Carolina. It was while pioneering numerous surgical procedures in Alabama that in 1849 he achieved the outstanding landmark in medical history of successfully, and consistently, repairing vesicovaginal fistulae. Sims soon developed a reputation as a fine surgeon, with new operations and techniques, using novel surgical instruments and his innovative approaches frequently published. Moving to New York City in 1853, he further established hospitals devoted entirely to women's health. Sims was controversial, with flamboyant descriptions of self-confident success, yet they were tempered with sober reflection of failure and loss. Today we remain with the Sims speculum and Sims position, eponymous tributes to his accomplishments as the 'Father of Gynaecology'. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

XPS and ToF-SIMS analysis of natural rubies and sapphires heat-treated in a reducing (5 mol% H 2/Ar) atmosphere

Science.gov (United States)

Achiwawanich, S.; James, B. D.; Liesegang, J.

2008-12-01

Surface effects on Mong Hsu rubies and Kanchanaburi sapphires after heat treatment in a controlled reducing atmosphere (5 mol% H 2/Ar) have been investigated using advanced surface science techniques including X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Visual appearance of the gemstones is clearly affected by the heat treatment in a reducing atmosphere. Kanchanaburi sapphires, in particular, exhibit Fe-containing precipitates after the heat treatment which have not been observed in previous studies under an inert atmosphere. Significant correlation between changes in visual appearance of the gemstones and variations in surface concentration of trace elements, especially Ti and Fe are observed. The XPS and ToF-SIMS results suggest that; (1) a reducing atmosphere affects the oxidation state of Fe; (2) dissociation of Fe-Ti interaction may occur during heat treatment.

Evaluation of the airway of the SimMan full-scale patient simulator

DEFF Research Database (Denmark)

Hesselfeldt, R; Kristensen, M S; Rasmussen, L S

2005-01-01

SimMan is a full-scale patient simulator, capable of simulating normal and pathological airways. The performance of SimMan has never been critically evaluated.......SimMan is a full-scale patient simulator, capable of simulating normal and pathological airways. The performance of SimMan has never been critically evaluated....

The role of the transcription factor SIM2 in prostate cancer.

Directory of Open Access Journals (Sweden)

Bin Lu

Full Text Available Recent reports have suggested a possible involvement of Single-minded homolog 2 (SIM2 in human solid cancers, including prostate cancer. However, the exact role of SIM2 in cancer in general, and in prostate cancer in particular, remains largely unknown. This study was designed to elucidate the role of SIM2 in prostate cancer using a shRNA-based approach in the PC3 prostate cancer cell line.Lentiviral shRNAs were used to inhibit SIM2 gene and protein levels in PC3 cells. Quantitative RT-PCR and branched DNA were performed to evaluate transcript expression. SIM2 protein expression level was measured by western blot. Profiling of gene expression spanning the whole genome, as well as polar metabolomics of several major metabolic pathways was performed to identify major pathway dysregulations.SIM2 gene and protein products were significantly downregulated by lenti-shRNA in PC3 cell line. This low expression of SIM2 affected gene expression profile, revealing significant changes in major signaling pathways, networks and functions. In addition, major metabolic pathways were affected.Taken together, our results suggest an involvement of SIM2 in key traits of prostate tumor cell biology and might underlie a contribution of this transcription factor to prostate cancer onset and progression.

From whole-body sections down to cellular level, multiscale imaging of phospholipids by MALDI mass spectrometry.

Science.gov (United States)

Chaurand, Pierre; Cornett, Dale S; Angel, Peggi M; Caprioli, Richard M

2011-02-01

Significant progress in instrumentation and sample preparation approaches have recently expanded the potential of MALDI imaging mass spectrometry to the analysis of phospholipids and other endogenous metabolites naturally occurring in tissue specimens. Here we explore some of the requirements necessary for the successful analysis and imaging of phospholipids from thin tissue sections of various dimensions by MALDI time-of-flight mass spectrometry. We address methodology issues relative to the imaging of whole-body sections such as those cut from model laboratory animals, sections of intermediate dimensions typically prepared from individual organs, as well as the requirements for imaging areas of interests from these sections at a cellular scale spatial resolution. We also review existing limitations of MALDI imaging MS technology relative to compound identification. Finally, we conclude with a perspective on important issues relative to data exploitation and management that need to be solved to maximize biological understanding of the tissue specimen investigated.

Structural analysis of poly-SUMO chain recognition by the RNF4-SIMs domain.

Science.gov (United States)

Kung, Camy C-H; Naik, Mandar T; Wang, Szu-Huan; Shih, Hsiu-Ming; Chang, Che-Chang; Lin, Li-Ying; Chen, Chia-Lin; Ma, Che; Chang, Chi-Fon; Huang, Tai-Huang

2014-08-15

The E3 ubiquitin ligase RNF4 (RING finger protein 4) contains four tandem SIM [SUMO (small ubiquitin-like modifier)-interaction motif] repeats for selective interaction with poly-SUMO-modified proteins, which it targets for degradation. We employed a multi-faceted approach to characterize the structure of the RNF4-SIMs domain and the tetra-SUMO2 chain to elucidate the interaction between them. In solution, the SIM domain was intrinsically disordered and the linkers of the tetra-SUMO2 were highly flexible. Individual SIMs of the RNF4-SIMs domains bind to SUMO2 in the groove between the β2-strand and the α1-helix parallel to the β2-strand. SIM2 and SIM3 bound to SUMO with a high affinity and together constituted the recognition module necessary for SUMO binding. SIM4 alone bound to SUMO with low affinity; however, its contribution to tetra-SUMO2 binding avidity is comparable with that of SIM3 when in the RNF4-SIMs domain. The SAXS data of the tetra-SUMO2-RNF4-SIMs domain complex indicate that it exists as an ordered structure. The HADDOCK model showed that the tandem RNF4-SIMs domain bound antiparallel to the tetra-SUMO2 chain orientation and wrapped around the SUMO protamers in a superhelical turn without imposing steric hindrance on either molecule.

Diversity in the Archean Biosphere: New Insights from NanoSIMS

Science.gov (United States)

Oehler, Dorothy Z.; Robert, François; Walter, Malcolm R.; Sugitani, Kenichiro; Meibom, Anders; Mostefaoui, Smail; Gibson, Everett K.

2010-05-01

The origin of organic microstructures in the ˜3 Ga Farrel Quartzite is controversial due to their relatively poor state of preservation, the Archean age of the cherts in which they occur, and the unusual spindle-like morphology of some of the forms. To provide more insight into the significance of these microstructures, nano-scale secondary ion mass spectrometry (NanoSIMS) maps of carbon, nitrogen, sulfur, silicon, and oxygen were obtained for spheroidal and spindle-shaped constituents of the Farrel Quartzite assemblage. Results suggest that the structures are all bona fide ˜3 Ga microfossils. The spindles demonstrate an architecture that is remarkable for 3 Ga organisms. They are relatively large, robust, and morphologically complex. The NanoSIMS element maps corroborate their complexity by demonstrating an intricate, internal network of organic material that fills many of the spindles and extends continuously from the body of these structures into their spearlike appendages. Results from this study combine with previous morphological and chemical analyses to argue that the microstructures in the Farrel Quartzite comprise a diverse assemblage of Archean microfossils. This conclusion adds to a growing body of geochemical, stromatolitic, and morphological evidence that indicates the Archean biosphere was varied and well established by at least ˜3 Ga. Together, the data paint a picture of Archean evolution that is one of early development of morphological and chemical complexity. The evidence for Archean evolutionary innovation may augur well for the possibility that primitive life on other planets could adapt to adverse conditions by ready development of diversity in form and biochemistry.

Sim Track User's Manual (v 1.0)

Energy Technology Data Exchange (ETDEWEB)

Luo, Y.

2010-01-27

SimTrack is a simple c++ library designed for the numeric particle tracking in the high energy accelerators. It adopts the 4th order symplectic integrator for the optical transport in the magnetic elements. The 4-D and 6-D weak-strong beam-beam treatments are integrated in it for the beam-beam studies. SimTrack is written with c++ class and standard template library. It provides versatile functions to manage elements and lines. It supports a large range of types of elements. New type of element can be easily created in the library. SimTrack calculates Twiss, coupling and fits tunes, chromaticities and corrects closed orbits. AC dipole and AC multipole are available in this library. SimTrack allows change of element parameters during tracking.

MultiSimPC: a multilevel logic simulator for microcomputers

OpenAIRE

Kelly, John S.

1986-01-01

Approved for public release; distribution is unlimited This thesis describes extensions to a multilevel VLSI logic simulator named MultiSim. Originally developed by Dr. Ausif Mahmood of the Washington State University for large minicomputers such as the VAX-11/780; MultiSim is now operational on desktop microcomputers costing only a few thousand dollars. In addition, MultiSim has been expanded to include provisions for adding user-defined primitive cells to the circuit library, true mu...

Bayesian Integration and Classification of Composition C-4 Plastic Explosives Based on Time-of-Flight-Secondary Ion Mass Spectrometry and Laser Ablation-Inductively Coupled Plasma Mass Spectrometry.

Science.gov (United States)

Mahoney, Christine M; Kelly, Ryan T; Alexander, Liz; Newburn, Matt; Bader, Sydney; Ewing, Robert G; Fahey, Albert J; Atkinson, David A; Beagley, Nathaniel

2016-04-05

Time-of-flight-secondary ion mass spectrometry (TOF-SIMS) and laser ablation-inductively coupled plasma mass spectrometry (LA-ICPMS) were used for characterization and identification of unique signatures from a series of 18 Composition C-4 plastic explosives. The samples were obtained from various commercial and military sources around the country. Positive and negative ion TOF-SIMS data were acquired directly from the C-4 residue on Si surfaces, where the positive ion mass spectra obtained were consistent with the major composition of organic additives, and the negative ion mass spectra were more consistent with explosive content in the C-4 samples. Each series of mass spectra was subjected to partial least squares-discriminant analysis (PLS-DA), a multivariate statistical analysis approach which serves to first find the areas of maximum variance within different classes of C-4 and subsequently to classify unknown samples based on correlations between the unknown data set and the original data set (often referred to as a training data set). This method was able to successfully classify test samples of C-4, though with a limited degree of certainty. The classification accuracy of the method was further improved by integrating the positive and negative ion data using a Bayesian approach. The TOF-SIMS data was combined with a second analytical method, LA-ICPMS, which was used to analyze elemental signatures in the C-4. The integrated data were able to classify test samples with a high degree of certainty. Results indicate that this Bayesian integrated approach constitutes a robust classification method that should be employable even in dirty samples collected in the field.

Technological Development of High-Performance MALDI Mass Spectrometry Imaging for the Study of Metabolic Biology

Energy Technology Data Exchange (ETDEWEB)

Feenstra, Adam D. [Iowa State Univ., Ames, IA (United States)

2016-12-17

This thesis represents efforts made in technological developments for the study of metabolic biology in plants, specifically maize, using matrix-assisted laser desorption/ ionization-mass spectrometry imaging.

Characterization of a novel miniaturized burst-mode infrared laser system for IR-MALDESI mass spectrometry imaging.

Science.gov (United States)

Ekelöf, Måns; Manni, Jeffrey; Nazari, Milad; Bokhart, Mark; Muddiman, David C

2018-03-01

Laser systems are widely used in mass spectrometry as sample probes and ionization sources. Mid-infrared lasers are particularly suitable for analysis of high water content samples such as animal and plant tissues, using water as a resonantly excited sacrificial matrix. Commercially available mid-IR lasers have historically been bulky and expensive due to cooling requirements. This work presents a novel air-cooled miniature mid-IR laser with adjustable burst-mode output and details an evaluation of its performance for mass spectrometry imaging. The miniature laser was found capable of generating sufficient energy for complete ablation of animal tissue in the context of an IR-MALDESI experiment with exogenously added ice matrix, yielding several hundred confident metabolite identifications. Graphical abstract The use of a novel miniature 2.94 μm burst-mode laser in IR-MALDESI allows for rapid and sensitive mass spectrometry imaging of a whole mouse.

CoaSim Guile Manual — Using the Guile-based CoaSim Simulator

DEFF Research Database (Denmark)

Mailund, T

2006-01-01

CoaSim is a tool for simulating the coalescent process with recombination and geneconversion, under either constant population size or exponential population growth. It effectively constructs the ancestral recombination graph for a given number of chromosomes and uses this to simulate samples...

SIMS device with quadrupole mass spectrometer

International Nuclear Information System (INIS)

Szigethy, D.; Riedel, M.

1980-01-01

A versatile secondary ion mass spectrometer (SIMS) has been designed and constructed. The device is applicable for dinamic and static SIMS investigations. The sputtering and ionisation can be studied simultaneously. Oil diffusion pumps and an auxiliary ion-getter pump are used. A commercial ion gun is used in the working chamber. The secondary ion optics assures the preliminary filtering of fast ions, and the collection of sputtered ions for a separate microprobe analysis. The performance of the apparatus is illustrated with examples. (R.J.)

XPS and ToF-SIMS analysis of natural rubies and sapphires heat-treated in a reducing (5 mol% H{sub 2}/Ar) atmosphere

Energy Technology Data Exchange (ETDEWEB)

Achiwawanich, S. [Department of Physics, La Trobe University, VIC 3086 (Australia); Centre for Materials and Surface Science, La Trobe University, VIC 3086 (Australia); James, B.D. [Centre for Materials and Surface Science, La Trobe University, VIC 3086 (Australia); Department of Chemistry, La Trobe University, VIC 3086 (Australia); Liesegang, J. [Department of Physics, La Trobe University, VIC 3086 (Australia); Centre for Materials and Surface Science, La Trobe University, VIC 3086 (Australia)], E-mail: J.Liesegang@latrobe.edu.au

2008-12-30

Surface effects on Mong Hsu rubies and Kanchanaburi sapphires after heat treatment in a controlled reducing atmosphere (5 mol% H{sub 2}/Ar) have been investigated using advanced surface science techniques including X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). Visual appearance of the gemstones is clearly affected by the heat treatment in a reducing atmosphere. Kanchanaburi sapphires, in particular, exhibit Fe-containing precipitates after the heat treatment which have not been observed in previous studies under an inert atmosphere. Significant correlation between changes in visual appearance of the gemstones and variations in surface concentration of trace elements, especially Ti and Fe are observed. The XPS and ToF-SIMS results suggest that; (1) a reducing atmosphere affects the oxidation state of Fe; (2) dissociation of Fe-Ti interaction may occur during heat treatment.

The use of ultra-low-energy dynamic SIMS in the study of the tarnishing of silver

International Nuclear Information System (INIS)

Dowsett, M.G.; Adriaens, A.; Soares, M.; Wouters, H.; Palitsin, V.V.N.; Gibbons, R.; Morris, R.J.H.

2005-01-01

This paper describes a new application in cultural heritage and other areas for a highly surface specific analytical technique originally developed for semiconductor research. The technique, ultra-low-energy dynamic secondary ion mass spectrometry (uleSIMS), is microdestructive, but has a sensitivity typically better than 1 atom in 10 6 . It can provide an analysis within the top nm, or the top few μm of a surface, and gives chemical fingerprinting as well as atomic composition information. It is complimentary to other near-surface techniques such as SEM-EDX, XRD and electrochemical methods. Here, we describe the use of uleSIMS with SEM and SEM-EDX in a study of the tarnishing of museum silver. We report on the initial stages in the development of reference surfaces for control experiments, and on the data obtained from a lightly tarnished sterling silver test coupon exposed in a museum environment for 2 years. First results from a study of a XVII c. silver fragment, aimed at detecting differences in the tarnish or coating in different areas are also presented. Overall we show that the surface chemistry of all these surfaces is a complex mixture of that due to corrosion, contaminants deposited by solvents, polish media (in an overlayer which may only be a few nm thick), handling and the environment, as well as particulates - both from the environment and from polishes. However, surfaces with different histories show large variations in their uleSIMS spectra and depth profiles, and we attempt to lay the groundwork for the interpretation of these

Toxicity of Food-Grade TiO2 to Commensal Intestinal and Transient Food-Borne Bacteria: New Insights Using Nano-SIMS and Synchrotron UV Fluorescence Imaging

Directory of Open Access Journals (Sweden)

Joanna M. Radziwill-Bienkowska

2018-04-01

Full Text Available Titanium dioxide (TiO2 is commonly used as a food additive (E171 in the EU for its whitening and opacifying properties. However, a risk of intestinal barrier disruption, including dysbiosis of the gut microbiota, is increasingly suspected because of the presence of a nano-sized fraction in this additive. We hypothesized that food-grade E171 and Aeroxyde P25 (identical to the NM-105 OECD reference nanomaterial in the European Union Joint Research Centre interact with both commensal intestinal bacteria and transient food-borne bacteria under non-UV-irradiated conditions. Based on differences in their physicochemical properties, we expect a difference in their respective effects. To test these hypotheses, we chose a panel of eight Gram-positive/Gram-negative bacterial strains, isolated from different biotopes and belonging to the species Escherichia coli, Lactobacillus rhamnosus, Lactococcus lactis (subsp. lactis and cremoris, Streptococcus thermophilus, and Lactobacillus sakei. Bacterial cells were exposed to food-grade E171 vs. P25 in vitro and the interactions were explored with innovative (nanoimaging methods. The ability of bacteria to trap TiO2 was demonstrated using synchrotron UV fluorescence imaging with single cell resolution. Subsequent alterations in the growth profiles were shown, notably for the transient food-borne L. lactis and the commensal intestinal E. coli in contact with food-grade TiO2. However, for both species, the reduction in cell cultivability remained moderate, and the morphological and ultrastructural damages, observed with electron microscopy, were restricted to a small number of cells. E. coli exposed to food-grade TiO2 showed some internalization of TiO2 (7% of cells, observed with high-resolution nano-secondary ion mass spectrometry (Nano-SIMS chemical imaging. Taken together, these data show that E171 may be trapped by commensal and transient food-borne bacteria within the gut. In return, it may induce some

The portrayal of J. Marion Sims' controversial surgical legacy.

Science.gov (United States)

Spettel, Sara; White, Mark Donald

2011-06-01

In the mid 1800s Dr. J. Marion Sims reported the successful repair of vesicovaginal fistulas with a technique he developed by performing multiple operations on female slaves. A venerated physician in his time, the legacy of Dr. Sims is controversial and represents a significant chapter in the mistreatment of African-Americans by the medical establishment. This review compares the modern debate surrounding his legacy with the presentation of his operation in widely consulted urological texts and journals. A literature review was performed of medical, sociological and periodical sources (1851 to the present) regarding J. Marion Sims and vesicovaginal fistula repair. During the last several decades, while the controversy around Dr. Sims' surgical development has produced a steady stream of articles in the historical and popular literature, relatively little mention is found in standard urology textbooks or journals. With increased public attention, some have debated the removal or modification of public tributes to Dr. Sims. This move has been countered by arguments against the validity of judging a 19th century physician by modern standards. While historians, ethicists and the popular press have debated Dr. Sims' legacy, medical sources have continued to portray him unquestionably as a great figure in medical history. This division keeps the medical profession uninformed and detached from the public debate on his legacy and, thus, the larger issues of ethical treatment of surgical patients. Copyright © 2011 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Surface analysis by imaging mass spectrometry

Czech Academy of Sciences Publication Activity Database

Vidová, Veronika; Volný, Michael; Lemr, Karel; Havlíček, Vladimír

2009-01-01

Roč. 74, 7-8 (2009), s. 1101-1116 ISSN 0010-0765 Institutional research plan: CEZ:AV0Z50200510 Keywords : secondary ion mass spectrometry * matrix assisted laser desorption ionization * mass spectrometry Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 0.856, year: 2009

HexSim: a modeling environment for ecology and conservation.

Science.gov (United States)

HexSim is a powerful and flexible new spatially-explicit, individual based modeling environment intended for use in ecology, conservation, genetics, epidemiology, toxicology, and other disciplines. We describe HexSim, illustrate past applications that contributed to our >10 year ...

A review on the determination of isotope ratios of boron with mass spectrometry.

Science.gov (United States)

Aggarwal, Suresh Kumar; You, Chen-Feng

2017-07-01

The present review discusses different mass spectrometric techniques-viz, thermal ionization mass spectrometry (TIMS), inductively coupled plasma mass spectrometry (ICPMS), and secondary ion mass spectrometry (SIMS)-used to determine 11 B/ 10 B isotope ratio, and concentration of boron required for various applications in earth sciences, marine geochemistry, nuclear technology, environmental, and agriculture sciences, etc. The details of the techniques-P-TIMS, which uses Cs 2 BO 2 + , N-TIMS, which uses BO 2 - , and MC-ICPMS, which uses B + ions for bulk analysis or B - and B + ions for in situ micro-analysis with SIMS-are highlighted. The capabilities, advantages, limitations, and problems in each mass spectrometric technique are summarized. The results of international interlaboratory comparison experiments conducted at different times are summarized. The certified isotopic reference materials available for boron are also listed. Recent developments in laser ablation (LA) ICPMS and QQQ-ICPMS for solids analysis and MS/MS analysis, respectively, are included. The different aspects of sample preparation and analytical chemistry of boron are summarized. Finally, the future requirements of boron isotope ratios for future applications are also given. Presently, MC-ICPMS provides the best precision and accuracy (0.2-0.4‰) on isotope ratio measurements, whereas N-TIMS holds the potential to analyze smallest amount of boron, but has the issue of bias (+2‰ to 4‰) which needs further investigations. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:499-519, 2017. © 2016 Wiley Periodicals, Inc.

Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

Energy Technology Data Exchange (ETDEWEB)

Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.; Nico, Peter; Keiluweit, Marco; Ahmed, Musahid

2013-04-01

Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novel analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.

Correcting mass shifts: A lock mass-free recalibration procedure for mass spectrometry imaging data

Czech Academy of Sciences Publication Activity Database

Kulkarni, P.; Kaftan, F.; Kynast, P.; Svatoš, Aleš; Böcker, S.

2015-01-01

Roč. 407, č. 25 (2015), s. 7603-7613 ISSN 1618-2642 Institutional support: RVO:61388963 Keywords : mass spectrometry imaging * recalibration * mass shift correction * data processing Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 3.125, year: 2015

A scalable infrastructure model for carbon capture and storage: SimCCS

International Nuclear Information System (INIS)

Middleton, Richard S.; Bielicki, Jeffrey M.

2009-01-01

In the carbon capture and storage (CCS) process, CO 2 sources and geologic reservoirs may be widely spatially dispersed and need to be connected through a dedicated CO 2 pipeline network. We introduce a scalable infrastructure model for CCS (simCCS) that generates a fully integrated, cost-minimizing CCS system. SimCCS determines where and how much CO 2 to capture and store, and where to build and connect pipelines of different sizes, in order to minimize the combined annualized costs of sequestering a given amount of CO 2 . SimCCS is able to aggregate CO 2 flows between sources and reservoirs into trunk pipelines that take advantage of economies of scale. Pipeline construction costs take into account factors including topography and social impacts. SimCCS can be used to calculate the scale of CCS deployment (local, regional, national). SimCCS' deployment of a realistic, capacitated pipeline network is a major advancement for planning CCS infrastructure. We demonstrate simCCS using a set of 37 CO 2 sources and 14 reservoirs for California. The results highlight the importance of systematic planning for CCS infrastructure by examining the sensitivity of CCS infrastructure, as optimized by simCCS, to varying CO 2 targets. We finish by identifying critical future research areas for CCS infrastructure

Alternative Liquid Fuels Simulation Model (AltSim).

Energy Technology Data Exchange (ETDEWEB)

Williams, Ryan; Baker, Arnold Barry; Drennen, Thomas E.

2009-12-01

The Alternative Liquid Fuels Simulation Model (AltSim) is a high-level dynamic simulation model which calculates and compares the production and end use costs, greenhouse gas emissions, and energy balances of several alternative liquid transportation fuels. These fuels include: corn ethanol, cellulosic ethanol from various feedstocks (switchgrass, corn stover, forest residue, and farmed trees), biodiesel, and diesels derived from natural gas (gas to liquid, or GTL), coal (coal to liquid, or CTL), and coal with biomass (CBTL). AltSim allows for comprehensive sensitivity analyses on capital costs, operation and maintenance costs, renewable and fossil fuel feedstock costs, feedstock conversion ratio, financial assumptions, tax credits, CO{sub 2} taxes, and plant capacity factor. This paper summarizes the structure and methodology of AltSim, presents results, and provides a detailed sensitivity analysis. The Energy Independence and Security Act (EISA) of 2007 sets a goal for the increased use of biofuels in the U.S., ultimately reaching 36 billion gallons by 2022. AltSim's base case assumes EPA projected feedstock costs in 2022 (EPA, 2009). For the base case assumptions, AltSim estimates per gallon production costs for the five ethanol feedstocks (corn, switchgrass, corn stover, forest residue, and farmed trees) of $1.86, $2.32, $2.45, $1.52, and $1.91, respectively. The projected production cost of biodiesel is $1.81/gallon. The estimates for CTL without biomass range from $1.36 to $2.22. With biomass, the estimated costs increase, ranging from $2.19 per gallon for the CTL option with 8% biomass to $2.79 per gallon for the CTL option with 30% biomass and carbon capture and sequestration. AltSim compares the greenhouse gas emissions (GHG) associated with both the production and consumption of the various fuels. EISA allows fuels emitting 20% less greenhouse gases (GHG) than conventional gasoline and diesels to qualify as renewable fuels. This allows several of the

Automated Morphological and Morphometric Analysis of Mass Spectrometry Imaging Data: Application to Biomarker Discovery

Science.gov (United States)

Picard de Muller, Gaël; Ait-Belkacem, Rima; Bonnel, David; Longuespée, Rémi; Stauber, Jonathan

2017-12-01

Mass spectrometry imaging datasets are mostly analyzed in terms of average intensity in regions of interest. However, biological tissues have different morphologies with several sizes, shapes, and structures. The important biological information, contained in this highly heterogeneous cellular organization, could be hidden by analyzing the average intensities. Finding an analytical process of morphology would help to find such information, describe tissue model, and support identification of biomarkers. This study describes an informatics approach for the extraction and identification of mass spectrometry image features and its application to sample analysis and modeling. For the proof of concept, two different tissue types (healthy kidney and CT-26 xenograft tumor tissues) were imaged and analyzed. A mouse kidney model and tumor model were generated using morphometric - number of objects and total surface - information. The morphometric information was used to identify m/z that have a heterogeneous distribution. It seems to be a worthwhile pursuit as clonal heterogeneity in a tumor is of clinical relevance. This study provides a new approach to find biomarker or support tissue classification with more information. [Figure not available: see fulltext.

WEC-SIM Phase 1 Validation Testing -- Numerical Modeling of Experiments: Preprint

Energy Technology Data Exchange (ETDEWEB)

Ruehl, Kelley; Michelen, Carlos; Bosma, Bret; Yu, Yi-Hsiang

2016-08-01

The Wave Energy Converter Simulator (WEC-Sim) is an open-source code jointly developed by Sandia National Laboratories and the National Renewable Energy Laboratory. It is used to model wave energy converters subjected to operational and extreme waves. In order for the WEC-Sim code to be beneficial to the wave energy community, code verification and physical model validation is necessary. This paper describes numerical modeling of the wave tank testing for the 1:33-scale experimental testing of the floating oscillating surge wave energy converter. The comparison between WEC-Sim and the Phase 1 experimental data set serves as code validation. This paper is a follow-up to the WEC-Sim paper on experimental testing, and describes the WEC-Sim numerical simulations for the floating oscillating surge wave energy converter.

QuakeSim 2.0

Science.gov (United States)

Donnellan, Andrea; Parker, Jay W.; Lyzenga, Gregory A.; Granat, Robert A.; Norton, Charles D.; Rundle, John B.; Pierce, Marlon E.; Fox, Geoffrey C.; McLeod, Dennis; Ludwig, Lisa Grant

2012-01-01

QuakeSim 2.0 improves understanding of earthquake processes by providing modeling tools and integrating model applications and various heterogeneous data sources within a Web services environment. QuakeSim is a multisource, synergistic, data-intensive environment for modeling the behavior of earthquake faults individually, and as part of complex interacting systems. Remotely sensed geodetic data products may be explored, compared with faults and landscape features, mined by pattern analysis applications, and integrated with models and pattern analysis applications in a rich Web-based and visualization environment. Integration of heterogeneous data products with pattern informatics tools enables efficient development of models. Federated database components and visualization tools allow rapid exploration of large datasets, while pattern informatics enables identification of subtle, but important, features in large data sets. QuakeSim is valuable for earthquake investigations and modeling in its current state, and also serves as a prototype and nucleus for broader systems under development. The framework provides access to physics-based simulation tools that model the earthquake cycle and related crustal deformation. Spaceborne GPS and Inter ferometric Synthetic Aperture (InSAR) data provide information on near-term crustal deformation, while paleoseismic geologic data provide longerterm information on earthquake fault processes. These data sources are integrated into QuakeSim's QuakeTables database system, and are accessible by users or various model applications. UAVSAR repeat pass interferometry data products are added to the QuakeTables database, and are available through a browseable map interface or Representational State Transfer (REST) interfaces. Model applications can retrieve data from Quake Tables, or from third-party GPS velocity data services; alternatively, users can manually input parameters into the models. Pattern analysis of GPS and seismicity data

ToF-SIMS analysis for leaching studies of potash–lime–silica glass

International Nuclear Information System (INIS)

De Bardi, Monica; Hutter, Herbert; Schreiner, Manfred

2013-01-01

In this work the durability to acidic solutions of two kinds of potash–lime–silica glasses with compositions typical for mediaeval stained glass was investigated. The low amount of network formers such as silica and alumina, and the high amount of network modifiers such as potassium and calcium, give to the glass a lower chemical stability compared to modern glass. Studies on its durability are of interest to understand degradation mechanisms. In particular the leaching procedure was focused on determining any correlation between the type of acid and the corrosion of glass independently from the pH value, which was kept constant during the different acidic treatments. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a valuable tool to study compositional variations of glass, giving useful information concerning provenance, effects of the conservation environment, of weathering or leaching processes and about the compositional differences between the corroded layer and the bulk as a function of depth. In spite of that the insulating properties of glass, the surface roughness and the parameters used for the measurements can lead to possible misinterpretations of the results; in this paper these difficulties are discussed, in order to better interpret the analyses performed on leached glass. ToF-SIMS data are influenced by strong matrix effects making quantification difficult; for this reason the quantitative composition and surface morphology of the leached layer were additionally investigated with scanning electron microscopy equipped with energy dispersive X-ray spectroscopy (SEM–EDX)

Direct surface analysis of pesticides on soil, leaves, grass, and stainless steel by static secondary ion mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Ingram, J.C.; Groenewold, G.S.; Appelhans, A.D.; Delmore, J.E.; Olson, J.E.; Miller, D.L. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

1997-02-01

Direct surface analyses by static secondary ion mass spectrometry (SIMS) were performed for the following pesticides adsorbed on dandelion leaves, grass, soil, and stainless steel samples: alachlor, atrazine, captan, carbofuran, chlorpyrifos, chlorosulfuron, chlorthal-dimethyl, cypermethrin, 2,4-D, diuron, glyphosate, malathion, methomyl, methyl arsonic acid, mocap, norflurazon, oxyfluorfen, paraquat, temik, and trifluralin. The purpose of this study was to evaluate static SIMS as a tool for pesticide analysis, principally for use in screening samples for pesticides. The advantage of direct surface analysis compared with conventional pesticide analysis methods is the elimination of sample pretreatment including extraction, which streamlines the analysis substantially; total analysis time for SIMS analysis was ca. 10 min/sample. Detection of 16 of the 20 pesticides on all four substrates was achieved. Of the remaining four pesticides, only one (trifluralin) was not detected on any of the samples. The minimum detectable quantity was determined for paraquat on soil in order to evaluate the efficacy of using SIMS as a screening tool. Paraquat was detected at 3 pg/mm{sup 2} (c.a. 0.005 monolayers). The results of these studies suggest that SIMS is capable of direct surface detection of a range of pesticides, with low volatility, polar pesticides being the most easily detected. 25 refs., 2 figs., 2 tabs.

Transmission Geometry Laser Ablation into a Non-Contact Liquid Vortex Capture Probe for Mass Spectrometry Imaging

Energy Technology Data Exchange (ETDEWEB)

Ovchinnikova, Olga S [ORNL; Bhandari, Deepak [ORNL; Lorenz, Matthias [ORNL; Van Berkel, Gary J [ORNL

2014-01-01

RATIONALE: Capture of material from a laser ablation plume into a continuous flow stream of solvent provides the means for uninterrupted sampling, transport and ionization of collected material for coupling with mass spectral analysis. Reported here is the use of vertically aligned transmission geometry laser ablation in combination with a new non-contact liquid vortex capture probe coupled with electrospray ionization for spot sampling and chemical imaging with mass spectrometry. Methods: A vertically aligned continuous flow liquid vortex capture probe was positioned directly underneath a sample surface in a transmission geometry laser ablation (355 nm, 10 Hz, 7 ns pulse width) setup to capture into solution the ablated material. The outlet of the vortex probe was coupled to the Turbo V ion source of an AB SCIEX TripleTOF 5600+ mass spectrometer. System operation and performance metrics were tested using inked patterns and thin tissue sections. Glass slides and slides designed especially for laser capture microdissection, viz., DIRECTOR slides and PEN 1.0 (polyethylene naphthalate) membrane slides, were used as sample substrates. Results: The estimated capture efficiency of laser ablated material was 24%, which was enabled by the use of a probe with large liquid surface area (~ 2.8 mm2) and with gravity to help direct ablated material vertically down towards the probe. The swirling vortex action of the liquid surface potentially enhanced capture and dissolution of not only particulates, but also gaseous products of the laser ablation. The use of DIRECTOR slides and PEN 1.0 (polyethylene naphthalate) membrane slides as sample substrates enabled effective ablation of a wide range of sample types (basic blue 7, polypropylene glycol, insulin and cyctochrome c) without photodamage using a UV laser. Imaging resolution of about 6 m was demonstrated for stamped ink on DIRECTOR slides based on the ability to distinguish features present both in the optical and in the

Studies on the determination of surface deuterium in AISI 1062, 4037, and 4140 steels by secondary ion mass spectrometry

Science.gov (United States)

Sastri, V. S.; Donepudi, V. S.; McIntyre, N. S.; Johnston, D.; Revie, R. W.

1988-12-01

The concentration of deuterium at the surface of cathodically charged high strength steels AISI 1062, 4037, and 4140 has been determined by secondary ion mass spectrometry (SIMS). The beneficial effects of pickling in NAP (a mixture of nitric, acetic, and phosphoric acids) to remove surfacebound deuterium have been observed.

SimDialog: A visual game dialog editor

OpenAIRE

Owen, C.; Biocca, F.; Bohil, C.; Conley, J.

2008-01-01

SimDialog is a visual editor for dialog in computer games. This paper presents the design of SimDialog, illustrating how script writers and non-programmers can easily create dialog for video games with complex branching structures and dynamic response characteristics. The system creates dialog as a directed graph. This allows for play using the dialog with a state-based cause and effect system that controls selection of non-player character responses and can provide a basic scoring mechanism ...

Getting Started with CoaSim — An Introduction to the Simulator CoaSim

DEFF Research Database (Denmark)

Mailund, T

2005-01-01

CoaSim is a tool for simulating the coalescent process with recombination and geneconversion, under either constant population size or exponential population growth. It effectively constructs the ancestral recombination graph for a given number of chromosomes and uses this to simulate samples...

Document authentication at molecular levels using desorption atmospheric pressure chemical ionization mass spectrometry imaging.

Science.gov (United States)

Li, Ming; Jia, Bin; Ding, Liying; Hong, Feng; Ouyang, Yongzhong; Chen, Rui; Zhou, Shumin; Chen, Huanwen; Fang, Xiang

2013-09-01

Molecular images of documents were obtained by sequentially scanning the surface of the document using desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS), which was operated in either a gasless, solvent-free or methanol vapor-assisted mode. The decay process of the ink used for handwriting was monitored by following the signal intensities recorded by DAPCI-MS. Handwritings made using four types of inks on four kinds of paper surfaces were tested. By studying the dynamic decay of the inks, DAPCI-MS imaging differentiated a 10-min old from two 4 h old samples. Non-destructive forensic analysis of forged signatures either handwritten or computer-assisted was achieved according to the difference of the contour in DAPCI images, which was attributed to the strength personalized by different writers. Distinction of the order of writing/stamping on documents and detection of illegal printings were accomplished with a spatial resolution of about 140 µm. A Matlab® written program was developed to facilitate the visualization of the similarity between signature images obtained by DAPCI-MS. The experimental results show that DAPCI-MS imaging provides rich information at the molecular level and thus can be used for the reliable document analysis in forensic applications. © 2013 The Authors. Journal of Mass Spectrometry published by John Wiley & Sons, Ltd.

Reconstruction of original indium distribution in InGaAs quantum wells from experimental SIMS depth profiles

Energy Technology Data Exchange (ETDEWEB)

Kudriavtsev, Yu., E-mail: yuriyk@cinvestav.mx [Departamento Ingeniería Eléctrica – SEES, CINVESTAV-IPN, Av. IPN #2508, D.F., México (Mexico); Asomoza, R. [Departamento Ingeniería Eléctrica – SEES, CINVESTAV-IPN, Av. IPN #2508, D.F., México (Mexico); Gallardo-Hernandez, S.; Ramirez-Lopez, M.; Lopez-Lopez, M. [Departamento de Física, CINVESTAV-IPN, México (Mexico); Nevedomsky, V.; Moiseev, K. [Ioffe Physical Technical Institute, S-Petersburg (Russian Federation)

2014-11-15

Depth profiling analysis of InGaAs/GaAs hetero-structures grown by MBE on GaAs (0 0 1) substrates is reported. A novel two-step procedure for de-convolving experimental SIMS depth distribution is employed and the original In distribution in InGaAs quantum wells (QW) is estimated. The QW thickness calculated from the de-convolved profiles is shown to be in good agreement with the cross-sectional TEM images. The experimental In depth profile is shifted from the original In distribution due to the ion mixing process during depth profiling analysis. It is shown that the de-convolution procedure is suitable for reconstruction of the original QW width and depth by SIMS even for relatively high primary ion energies.

MALDI Mass Spectrometry Imaging of N-Linked Glycans in Cancer Tissues.

Science.gov (United States)

Drake, R R; Powers, T W; Jones, E E; Bruner, E; Mehta, A S; Angel, P M

2017-01-01

Glycosylated proteins account for a majority of the posttranslation modifications of cell surface, secreted, and circulating proteins. Within the tumor microenvironment, the presence of immune cells, extracellular matrix proteins, cell surface receptors, and interactions between stroma and tumor cells are all processes mediated by glycan binding and recognition reactions. Changes in glycosylation during tumorigenesis are well documented to occur and affect all of these associated adhesion and regulatory functions. A MALDI imaging mass spectrometry (MALDI-IMS) workflow for profiling N-linked glycan distributions in fresh/frozen tissues and formalin-fixed paraffin-embedded tissues has recently been developed. The key to the approach is the application of a molecular coating of peptide-N-glycosidase to tissues, an enzyme that cleaves asparagine-linked glycans from their protein carrier. The released N-linked glycans can then be analyzed by MALDI-IMS directly on tissue. Generally 40 or more individual glycan structures are routinely detected, and when combined with histopathology localizations, tumor-specific glycans are readily grouped relative to nontumor regions and other structural features. This technique is a recent development and new approach in glycobiology and mass spectrometry imaging research methodology; thus, potential uses such as tumor-specific glycan biomarker panels and other applications are discussed. © 2017 Elsevier Inc. All rights reserved.

Development of Standards for NanoSIMS Analyses of Biological Materials

Energy Technology Data Exchange (ETDEWEB)

Davission, M L; Weber, P K; Pett-Ridge, J; Singer, S

2008-07-31

NanoSIMS is a powerful analytical technique for investigating element distributions at the nanometer scale, but quantifying elemental abundances requires appropriate standards, which are not readily available for biological materials. Standards for trace element analyses have been extensively developed for secondary ion mass spectrometry (SIMS) in the semiconductor industry and in the geological sciences. The three primary approaches for generating standards for SIMS are: (1) ion implantation (2) using previously characterized natural materials, and (3) preparing synthetic substances. Ion implantation is a reliable method for generating trace element standards, but it is expensive, which limits investigation of the analytical issues discussed above. It also requires low background levels of the elements of interest. Finding or making standard materials has the potential to provide more flexibility than ion implantation, but realizing homogeneity at the nano-scale is in itself a significant challenge. In this study, we experiment with all three approaches, but with an emphasis toward synthetic organic polymers in order to reduce costs, increase flexibility, and achieve a wide dynamic concentration range. This emphasis serves to meet the major challenge for biological samples of identifying matrix matched, homogeneous material. Biological samples themselves are typically heterogeneous at the scale of microns to 100s of microns, and therefore they are poor SIMS standards. Therefore, we focused on identifying 'biological-like' materials--either natural or synthetic--that can be used for standards. The primary criterion is that the material be as compositionally similar to biological samples as possible (primarily C, H, O, and N). For natural material we adsorbed organic colloids consisting of peptidoglycan (i.e., amino sugars), activated charcoal, and humic acids. Experiments conducted with Si on peptidoglycan showed low affinity as SiO{sub 2}, yet its

On the Importance of Mathematical Methods for Analysis of MALDI-Imaging Mass Spectrometry Data

Directory of Open Access Journals (Sweden)

Trede Dennis

2012-03-01

Full Text Available In the last decade, matrix-assisted laser desorption/ionization (MALDI imaging mass spectrometry (IMS, also called as MALDI-imaging, has proven its potential in proteomics and was successfully applied to various types of biomedical problems, in particular to histopathological label-free analysis of tissue sections. In histopathology, MALDI-imaging is used as a general analytic tool revealing the functional proteomic structure of tissue sections, and as a discovery tool for detecting new biomarkers discriminating a region annotated by an experienced histologist, in particular, for cancer studies.

Development practices and lessons learned in developing SimPEG

Science.gov (United States)

Cockett, R.; Heagy, L. J.; Kang, S.; Rosenkjaer, G. K.

2015-12-01

Inverse modelling provides a mathematical framework for constructing a model of physical property distributions in the subsurface that are consistent with the data collected in geophysical surveys. The geosciences are increasingly moving towards the integration of geological, geophysical, and hydrological information to better characterize the subsurface. This integration must span disciplines and is not only challenging scientifically, but additionally the inconsistencies between conventions often makes implementations complicated, non­ reproducible, or inefficient. SimPEG is an open-source, multi-university effort aimed at providing a generalized framework for solving forward and inverse problems. SimPEG includes finite volume discretizations on structured and unstructured meshes, interfaces to standard numerical solver packages, convex optimization algorithms, model parameterizations, and visualization routines. The SimPEG package (http://simpeg.xyz) supports an ecosystem of forward and inverse modelling applications, including electromagnetics, vadose zone flow, seismic, and potential­ fields, that are all written with a common interface and toolbox. The goal of SimPEG is to support a community of researchers with well-tested, extensible tools, and encourage transparency and reproducibility both of the SimPEG software and the geoscientific research it is applied to. In this presentation, we will share some of the lessons we have learned in designing the modular infrastructure, testing and development practices of SimPEG. We will discuss our use of version control, extensive unit-testing, continuous integration, documentation, issue tracking, and resources that facilitate communication between existing team members and allows new researchers to get involved. These practices have enabled the use of SimPEG in research, industry, and education as well as the ability to support a growing number of dependent repositories and applications. We hope that sharing our

A Virtual Research Environment for a Secondary Ion Mass Spectrometer (SIMS)

Science.gov (United States)

Wiedenbeck, M.; Schäfer, L.; Klump, J.; Galkin, A.

2013-12-01

Overview: This poster describes the development of a Virtual Research Environment for the Secondary Ion Mass Spectrometer (SIMS) at GFZ Potsdam. Background: Secondary Ion Mass Spectrometers (SIMS) are extremely sensitive instruments for analyzing the surfaces of solid and thin film samples. These instruments are rare, expensive and experienced operators are very highly sought after. As such, measurement time is a precious commodity, until now only accessible to small numbers of researchers. The challenge: The Virtual SIMS Project aims to set up a Virtual Research Environment for the operation of the CAMECA IMS 1280-HR instrument at the GFZ Potsdam. The objective of the VRE is to provide SIMS access not only to researchers locally present in Potsdam but also to scientists working with SIMS cooperation partners in e.g., South Africa, Brazil or India. The requirements: The system should address the complete spectrum of laboratory procedures - from online application for measurement time, to remote access for data acquisition to data archiving for the subsequent publication and for future reuse. The approach: The targeted Virtual SIMS Environment will consist of a: 1. Web Server running the Virtual SIMS website providing general information about the project, lab access proposal forms and calendar for the timing of project related tasks. 2. LIMS Server, responsible for scheduling procedures, data management and, if applicable, accounting and billing. 3. Remote SIMS Tool, devoted to the operation of the experiment within a remote control environment. 4. Publishing System, which supports the publication of results in cooperation with the GFZ Library services. 5. Training Simulator, which offers the opportunity to rehearse experiments and to prepare for possible events such as a power outages or interruptions to broadband services. First results: The SIMS Virtual Research Environment will be mainly based on open source software, the only exception being the CAMECA IMS

Analysis of impurities in semiconductor by IMA (SIMS)

International Nuclear Information System (INIS)

Komori, Junko; Masuko, Yoji; Koyama, Hiroshi

1988-01-01

The report outlines the measuring mechanism of SIMS and its applications in the field of semiconductor production. SIMS is the only equipment currently available for micrometer-order analysis and ppb-level impurities detection required for evaluation of semiconductors. In SIMS, sputtering of the sample surface is performed with primary ions and the secondary ions released from the sample are analyzed to identify the atomic species existing in the surface. The sputtering process and ionization process are outlined in the report, though the details of sputtering has not been fully clarified yet. In actual observation, some problems may be caused due to interfering ions and residual ions. In general, various ions including multi-valent ions, cluster ions, molecular ions, hydrogenated/oxygenated ions and hydrocarbon ions are produced in addition to monovalent ions to interfere the atoms under analysis. Interference by these ions can cause serious problems in carrying out depth profile analysis as well as observation of mass spectra. Major applications of SIMS in the field of semiconductor production include the evaluation of silicon surface, light elements, insulating materials and semiconductor devices. Some requirements to be met by further studies are also listed. (N.K.)

Regional differences in brain glucose metabolism determined by imaging mass spectrometry

OpenAIRE

André Kleinridders; Heather A. Ferris; Michelle L. Reyzer; Michaela Rath; Marion Soto; M. Lisa Manier; Jeffrey Spraggins; Zhihong Yang; Robert C. Stanton; Richard M. Caprioli; C. Ronald Kahn

2018-01-01

Objective: Glucose is the major energy substrate of the brain and crucial for normal brain function. In diabetes, the brain is subject to episodes of hypo- and hyperglycemia resulting in acute outcomes ranging from confusion to seizures, while chronic metabolic dysregulation puts patients at increased risk for depression and Alzheimer's disease. In the present study, we aimed to determine how glucose is metabolized in different regions of the brain using imaging mass spectrometry (IMS). Metho...

Rapid characterisation of surface modifications and treatments using a benchtop SIMS instrument

Science.gov (United States)

McPhail, D. S.; Sokhan, M.; Rees, E. E.; Cliff, B.; Eccles, A. J.; Chater, R. J.

2004-06-01

The development of a novel benchtop SIMS instrument (Millbrook MiniSIMS) [Appl. Surf. Sci. 144 (1999) 106] has brought routine SIMS analysis to many new users, for example museum conservators. This is a result of the simple operation and the relatively low capital cost of the instrument. We report here on the continued development of the system in terms of increasing performance and functionality and its use in museum conservation based applications where a mobile instrument for high throughput, rapid SIMS analysis has proven to be of great benefit to the user. The example we describe here is the application of the MiniSIMS to the analysis of silver thread woven into a silk dress before and after laser cleaning.

Direct Visualization of Neurotransmitters in Rat Brain Slices by Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI - MS)

Science.gov (United States)

Fernandes, Anna Maria A. P.; Vendramini, Pedro H.; Galaverna, Renan; Schwab, Nicolas V.; Alberici, Luciane C.; Augusti, Rodinei; Castilho, Roger F.; Eberlin, Marcos N.

2016-12-01

Mass spectrometry imaging (MSI) of neurotransmitters has so far been mainly performed by matrix-assisted laser desorption/ionization (MALDI) where derivatization reagents, deuterated matrix and/or high resolution, or tandem MS have been applied to circumvent problems with interfering ion peaks from matrix and from isobaric species. We herein describe the application of desorption electrospray ionization mass spectrometry imaging (DESI)-MSI in rat brain coronal and sagittal slices for direct spatial monitoring of neurotransmitters and choline with no need of derivatization reagents and/or deuterated materials. The amino acids γ-aminobutyric (GABA), glutamate, aspartate, serine, as well as acetylcholine, dopamine, and choline were successfully imaged using a commercial DESI source coupled to a hybrid quadrupole-Orbitrap mass spectrometer. The spatial distribution of the analyzed compounds in different brain regions was determined. We conclude that the ambient matrix-free DESI-MSI is suitable for neurotransmitter imaging and could be applied in studies that involve evaluation of imbalances in neurotransmitters levels.

TOF-SIMS investigation of degradation pathways occurring in a variety of organic photovoltaic devices – the ISOS-3 inter-laboratory collaboration

DEFF Research Database (Denmark)

Andreasen, Birgitta; Tanenbaum, David; Hermenau, Martin

2012-01-01

-depth in the organic solar cells. Various degradation mechanisms were investigated and correlated with cell performance. For example, photo-oxidation of the active material was quantitatively studied as a function of cell performance. The large variety of cell architectures used (some with and some without......-destructive and destructive techniques in order to identify specific degradation mechanisms responsible for the deterioration of the photovoltaic response. Work presented herein involves time-of-flight secondary ion mass spectrometry (TOF-SIMS) in order to study chemical degradation in-plane as well as in...... of organic solar cells....

Local in-depth analysis of ceramic materials by neutral beam secondary ion mass spectrometry

International Nuclear Information System (INIS)

Borchardt, G.; Scherrer, H.; Weber, S.; Scherrer, S.

1980-01-01

Local microanalysis of non-conducting surfaces by means of modern physical methods which use charged low-energy primary particles brings about severe problems because of the electrostatic charge accumulated on the sample surface. This is also true of secondary ion mass spectrometry (SIMS) where ions are usually used as primary particles. In the present work the basic features for production of neutral primary beams in commercial SIMS instruments by a simple technique are described. With suitably high sputtering rates, surface analyses and in-depth profiles can be made in reasonable measuring times. Results are given for chemical concentration distributions in the near-surface regions of an oxide glass and for the isotopic diffusion of Si-30 in a crystalline silicate with olivine structure (Co 2 SiO 4 ). (orig.)

Matrix-Assisted Laser Desorption Ionization Mass Spectrometry Imaging for Peptide and Protein Analyses: A Critical Review of On-Tissue Digestion

NARCIS (Netherlands)

Cillero-Pastor, B.; Heeren, R.M.A.

2013-01-01

Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) has established itself among the plethora of mass spectrometry applications. In the biomedical field, MALDI-MSI is being more frequently recognized as a new method for the discovery of biomarkers and targets of

He, U, and Th Depth Profiling of Apatite and Zircon Using Laser Ablation Noble Gas Mass Spectrometry and SIMS

Science.gov (United States)

Monteleone, B. D.; van Soest, M. C.; Hodges, K. V.; Hervig, R.; Boyce, J. W.

2008-12-01

Conventional (U-Th)/He thermochronology utilizes single or multiple grain analyses of U- and Th-bearing minerals such as apatite and zircon and does not allow for assessment of spatial variation in concentration of He, U, or Th within individual crystals. As such, age calculation and interpretation require assumptions regarding 4He loss through alpha ejection, diffusive redistribution of 4He, and U and Th distribution as an initial condition for these processes. Although models have been developed to predict 4He diffusion parameters, correct for the effect of alpha ejection on calculated cooling ages, and account for the effect of U and Th zonation within apatite and zircon, measurements of 4He, U, and Th distribution have not been combined within a single crystal. We apply ArF excimer laser ablation, combined with noble gas mass spectrometry, to obtain depth profiles within apatite and zircon crystals in order to assess variations in 4He concentration with depth. Our initial results from pre-cut, pre-heated slabs of Durango apatite, each subjected to different T-t schedules, suggest a general agreement of 4He profiles with those predicted by theoretical diffusion models (Farley, 2000). Depth profiles through unpolished grains give reproducible alpha ejection profiles in Durango apatite that deviate from alpha ejection profiles predicted for ideal, homogenous crystals. SIMS depth profiling utilizes an O2 primary beam capable of sputtering tens of microns and measuring sub-micron resolution variation in [U], [Th], and [Sm]. Preliminary results suggest that sufficient [U] and [Th] zonation is present in Durango apatite to influence the form of the 4He alpha ejection profile. Future work will assess the influence of measured [U] and [Th] zonation on previously measured 4He depth profiles. Farley, K.A., 2000. Helium diffusion from apatite; general behavior as illustrated by Durango fluorapatite. J. Geophys. Res., B Solid Earth Planets 105 (2), 2903-2914.

Reduced dental calcium expression and dental mass in chronic sleep deprived rats: Combined EDS, TOF-SIMS, and micro-CT analysis

Science.gov (United States)

Kuo, Yi-Jie; Huang, Yung-Kai; Chou, Hsiu-Chu; Pai, Man-Hui; Lee, Ai-Wei; Mai, Fu-Der; Chang, Hung-Ming

2015-08-01

Teeth are the hardest tissue in the body. The growth of teeth is closely regulated by circadian rhythmicity. Considering that sleep deprivation (SD) is a severe condition that disrupts normal circadian rhythmicity, this study was conducted to determine whether calcium expression (the major element participating in teeth constitution), and dental mass would be significantly impaired following SD. Adolescent rats subjected to 3 weeks of SD were processed for energy dispersive spectrum (EDS), time-of-flight secondary ion mass spectrometry (TOF-SIMS), and micro-computed tomography (micro-CT) analyses. The EDS and TOF-SIMS results indicated that high calcium intensity was detected in both the upper and lower incisors of untreated rats. Micro-CT analysis corresponded closely with spectral data in which an enhanced dental mass was calculated in intact animals. However, following SD, both calcium expression and the dental mass were remarkably decreased to nearly half those of the untreated values. Because SD plays a detrimental role in impairing dental structure, establishing satisfactory sleep behavior would therefore serve as a crucial strategy for preventing or improving prevalent dental dysfunctions.

Molecular imaging of myocardial infarction with Gadofluorine P – A combined magnetic resonance and mass spectrometry imaging approach

Directory of Open Access Journals (Sweden)

Fabian Lohöfer

2018-04-01

Full Text Available Background: Molecular MRI is becoming increasingly important for preclinical research. Validation of targeted gadolinium probes in tissue however has been cumbersome up to now. Novel methodology to assess gadolinium distribution in tissue after in vivo application is therefore needed. Purpose: To establish combined Magnetic Resonance Imaging (MRI and Mass Spectrometry Imaging (MSI for improved detection and quantification of Gadofluorine P deposition in scar formation and myocardial remodeling. Materials and methods: Animal studies were performed according to institutionally approved protocols. Myocardial infarction was induced by permanent ligation of the left ascending artery (LAD in C57BL/6J mice. MRI was performed at 7T at 1 week and 6 weeks after myocardial infarction. Gadofluorine P was used for dynamic T1 mapping of extracellular matrix synthesis during myocardial healing and compared to Gd-DTPA. After in vivo imaging contrast agent concentration as well as distribution in tissue were validated and quantified by spatially resolved Matrix-Assisted Laser Desorption Ionization (MALDI MSI and Laser Ablation – Inductively Coupled Plasma – Mass Spectrometry (LA-ICP-MS imaging. Results: Both Gadofluorine P enhancement as well as local tissue content in the myocardial scar were highest at 15 minutes post injection. R1 values increased from 1 to 6 weeks after MI (1.62 s−1 vs 2.68 s−1, p = 0.059 paralleled by an increase in Gadofluorine P concentration in the infarct from 0.019 mM at 1 week to 0.028 mM at 6 weeks (p = 0.048, whereas Gd-DTPA enhancement showed no differences (3.95 s−1 vs 3.47 s−1, p = 0.701. MALDI-MSI results were corroborated by elemental LA-ICP-MS of Gadolinium in healthy and infarcted myocardium. Histology confirmed increased extracellular matrix synthesis at 6 weeks compared to 1 week. Conclusion: Adding quantitative MSI to MR imaging enables a quantitative validation of Gadofluorine P distribution in the heart

Detection of surface mobility of poly (2, 3, 4, 5, 6-pentafluorostyrene) films by in situ variable-temperature ToF-SIMS and contact angle measurements.

Science.gov (United States)

Fu, Yi; Lau, Yiu-Ting R; Weng, Lu-Tao; Ng, Kai-Mo; Chan, Chi-Ming

2014-10-01

Poly (2, 3, 4, 5, 6-pentafluorostyrene) (5FPS) was prepared by bulk radical polymerization. The spin-cast films of this polymer were analyzed using time-of-flight secondary ion mass spectrometry (ToF-SIMS) at various temperatures ranging from room temperature to 120°C. Principal component analysis (PCA) of the ToF-SIMS data revealed a transition temperature (T(T)) at which the surface structure of 5FPS was rearranged. A comparison between the results of the PCA of ToF-SIMS spectra obtained on 5FPS and polystyrene (PS) indicate that the pendant groups of 5FPS and PS moved in exactly opposite directions as the temperature increased. More pendant groups of 5FPS and PS migrated from the bulk to the surface and verse versa, respectively, as the temperature increased. These results clearly support the view that the abrupt changes in the normalized principal component 1 value was caused by the surface reorientation of the polymers and not by a change in the ion fragmentation mechanism at temperatures above the T(T). Contact angle measurement, which is another extremely surface sensitive technique, was used to monitor the change in the surface tension as a function of temperature. A clear T(T) was determined by the contact angle measurements. The T(T) values determined by contact angle measurements and ToF-SIMS were very similar. Copyright © 2014 Elsevier Inc. All rights reserved.

MALDI-Imaging Mass Spectrometry of Ochratoxin A and Fumonisins in Mold-Infected Food.

Science.gov (United States)

Hickert, Sebastian; Cramer, Benedikt; Letzel, Matthias C; Humpf, Hans-Ulrich

2016-09-06

Mycotoxins are toxic secondary metabolites produced by various fungi. Their distribution within contaminated material is of high interest to obtain insight into infection mechanisms and the possibility of reducing contamination during food processing. Various vegetable foodstuffs were infected with fungi of the genera Fusarium and Aspergillus. The localization of the produced mycotoxins was studied by matrix assisted laser desorption ionization time of flight imaging mass spectrometry (MALDI-MSI) of cryosections obtained from infected material. The results were confirmed by HPLC-electrospray ionization triple quadrupole mass spectrometry (HPLC/MS/MS). The mycotoxins ochratoxin A (OTA) and fumonisins of the B- and C-series (FB 1 , FB 2 , FB 3 , FB 4 , FC 2/3 , and FC 4 ) as well as partially hydrolyzed fumonisins (pHFB 1 , pHFB 2 , pHFB 3 , pHFC 1 , and pHFC 2/3 ) could successfully be detected by MALDI-IMS in mold-infested foodstuffs. The toxins are distributed differently in the material: OTA is co-localized with visible fungal spoilage while fumonisins could be detected throughout the whole sample. This work shows the applicability of MALDI-Imaging Mass Spectrometry (MALDI-MSI) to mycotoxin analysis. It has been demonstrated that the analyzed mycotoxins are differently distributed within moldy foodstuffs. These findings show the potential of MALDI-MSI for the localization of these hazardous compounds in various plant tissues. This article is protected by copyright. All rights reserved.

Surface analysis and depth profiling of corrosion products formed in lead pipes used to supply low alkalinity drinking water.

Science.gov (United States)

Davidson, C M; Peters, N J; Britton, A; Brady, L; Gardiner, P H E; Lewis, B D

2004-01-01

Modern analytical techniques have been applied to investigate the nature of lead pipe corrosion products formed in pH adjusted, orthophosphate-treated, low alkalinity water, under supply conditions. Depth profiling and surface analysis have been carried out on pipe samples obtained from the water distribution system in Glasgow, Scotland, UK. X-ray diffraction spectrometry identified basic lead carbonate, lead oxide and lead phosphate as the principal components. Scanning electron microscopy/energy-dispersive x-ray spectrometry revealed the crystalline structure within the corrosion product and also showed spatial correlations existed between calcium, iron, lead, oxygen and phosphorus. Elemental profiling, conducted by means of secondary ion mass spectrometry (SIMS) and secondary neutrals mass spectrometry (SNMS) indicated that the corrosion product was not uniform with depth. However, no clear stratification was apparent. Indeed, counts obtained for carbonate, phosphate and oxide were well correlated within the depth range probed by SIMS. SNMS showed relationships existed between carbon, calcium, iron, and phosphorus within the bulk of the scale, as well as at the surface. SIMS imaging confirmed the relationship between calcium and lead and suggested there might also be an association between chloride and phosphorus.

SIMS analysis of extended impact features on LDEF experiment

Science.gov (United States)

Amari, S.; Foote, J.; Jessberger, E. K.; Simon, C.; Stadermann, F. J.; Swan, P.; Walker, R.; Zinner, E.

1991-01-01

Discussed here are the first Secondary Ion Mass Spectroscopy (SIMS) analysis of projectile material deposited in extended impact features on Ge wafers from the trailing edge. Although most capture cells lost their plastic film covers, they contain extended impact features that apparently were produced by high velocity impacts when the plastic foils were still intact. Detailed optical scanning of all bare capture cells from the trailing edge revealed more than 100 impacts. Fifty-eight were selected by scanning electron microscope (SEM) inspection as prime candidates for SIMS analysis. Preliminary SIMS measurements were made on 15 impacts. More than half showed substantial enhancements of Mg, Al, Si, Ca, and Fe in the impact region, indicating micrometeorites as the projectiles.

DETERMINATION OF A BOUND MUSK XYLENE METABOLITE IN CARP HEMOGLOBIN AS A BIOMARKER OF EXPOSURE BY GAS CHROMATOGRAPHY MASS SPECTROMETRY USING SELECTED ION MONITORING

Science.gov (United States)

Musk xylene (MX) is widely used as a fragrance ingredient in commercial toiletries. Identification and quantification of a bound 4-amino-MX (AMX) metabolite was carried out by gas chromatography-mass spectrometry (GC/MS), with selected ion monitoring (SIM). Detection of AMX occur...

Crystallization and preliminary X-ray analysis of the TetR-like efflux pump regulator SimR

International Nuclear Information System (INIS)

Le, Tung B. K.; Stevenson, Clare E. M.; Buttner, Mark J.; Lawson, David M.

2011-01-01

Crystals of SimR, a TetR-like efflux pump repressor from S. antibioticus, were obtained and X-ray data were recorded to a resolution of 2.3 Å. Crystals of SimR were grown by vapour diffusion. The protein crystallized with trigonal symmetry and X-ray data were recorded to a resolution of 2.3 Å from a single crystal at the synchrotron. SimR belongs to the TetR family of bacterial transcriptional regulators. In the absence of the antibiotic simocyclinone, SimR represses the transcription of a divergently transcribed gene encoding the simocyclinone efflux pump SimX in Streptomyces antibioticus by binding to operators in the simR–simX intergenic region. Simocyclinone binding causes SimR to dissociate from its operators, leading to expression of the SimX efflux pump. Thus, SimR represents an intimate link between the biosynthesis of simocyclinone and its export, which may also provide the mechanism of self-resistance to the antibiotic in the producer strain

Surface immobilized antibody orientation determined using ToF-SIMS and multivariate analysis.

Science.gov (United States)

Welch, Nicholas G; Madiona, Robert M T; Payten, Thomas B; Easton, Christopher D; Pontes-Braz, Luisa; Brack, Narelle; Scoble, Judith A; Muir, Benjamin W; Pigram, Paul J

2017-06-01

Antibody orientation at solid phase interfaces plays a critical role in the sensitive detection of biomolecules during immunoassays. Correctly oriented antibodies with solution-facing antigen binding regions have improved antigen capture as compared to their randomly oriented counterparts. Direct characterization of oriented proteins with surface analysis methods still remains a challenge however surface sensitive techniques such as Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) provide information-rich data that can be used to probe antibody orientation. Diethylene glycol dimethyl ether plasma polymers (DGpp) functionalized with chromium (DGpp+Cr) have improved immunoassay performance that is indicative of preferential antibody orientation. Herein, ToF-SIMS data from proteolytic fragments of anti-EGFR antibody bound to DGpp and DGpp+Cr are used to construct artificial neural network (ANN) and principal component analysis (PCA) models indicative of correctly oriented systems. Whole antibody samples (IgG) test against each of the models indicated preferential antibody orientation on DGpp+Cr. Cross-reference between ANN and PCA models yield 20 mass fragments associated with F(ab') 2 region representing correct orientation, and 23 mass fragments associated with the Fc region representing incorrect orientation. Mass fragments were then compared to amino acid fragments and amino acid composition in F(ab') 2 and Fc regions. A ratio of the sum of the ToF-SIMS ion intensities from the F(ab') 2 fragments to the Fc fragments demonstrated a 50% increase in intensity for IgG on DGpp+Cr as compared to DGpp. The systematic data analysis methodology employed herein offers a new approach for the investigation of antibody orientation applicable to a range of substrates. Controlled orientation of antibodies at solid phases is critical for maximizing antigen detection in biosensors and immunoassays. Surface-sensitive techniques (such as ToF-SIMS), capable of direct

In Situ Molecular Imaging of the Biofilm and Its Matrix

Energy Technology Data Exchange (ETDEWEB)

Ding, Yuanzhao; Zhou, Yufan; Yao, Juan; Szymanski, Craig J.; Fredrickson, Jim K.; Shi, Liang; Cao, B.; Zhu, Zihua; Yu, Xiao-Ying

2016-11-15

Molecular mapping of live biofilms at submicron resolution presents a grand challenge. Here, we present the first chemical mapping results of biofilm extracellular polymeric sub-stance (EPS) components in biofilms using correlative imaging be-tween super resolution florescence microscopy and liquid time-of-flight secondary ion mass spectrometry (ToF-SIMS). Shewanella oneidensis is used as a model organism. Heavy metal anions chro-mate (Cr2O72-) consisting of chromium Cr (VI) was a model envi-ronmental stressor used to treat the biofilms. Of particular interest, biologically relevant water clusters have been first observed in the biofilms. Characteristic fragments of biofilm matrix components such as proteins, polysaccharides, and lipids can be spatially im-aged. Furthermore, characteristic fatty acids (e.g., palmitic acid), quinolone signal, and riboflavin fragments are found to respond af-ter the biofilm is treated with Cr (VI), leading to biofilm dispersion. Significant changes in water clusters and quorum sensing signals indicative of intercellular communication in the aqueous environ-ment are observed, suggesting that they might result in fatty acid synthesis and inhibit riboflavin production. The Cr (VI) reduction seems to follow the Mtr pathway leading to Cr (III) formation. Our approach potentially opens a new avenue for mechanistic insight of microbial community processes and communications using in situ imaging mass spectrometry and superresolution optical micros-copy.

Brominated Tyrosine and Polyelectrolyte Multilayer Analysis by Laser Desorption VUV Postionization and Secondary Ion Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

University of Illinois at Chicago; Blaze, Melvin M. T.; Takahashi, Lynelle; Zhou, Jia; Ahmed, Musahid; Gasper, Gerald; Pleticha, F. Douglas; Hanley, Luke

2011-03-14

The small molecular analyte 3,5-dibromotyrosine (Br2Y) and chitosan-alginate polyelectrolyte multilayers (PEM) with and without adsorbed Br2Y were analyzed by laser desorption postionization mass spectrometry (LDPI-MS). LDPI-MS using 7.87 eV laser and tunable 8 ? 12.5 eV synchrotron vacuum ultraviolet (VUV) radiation found that desorption of clusters from Br2Y films allowed detection by≤8 eV single photon ionization. Thermal desorption and electronic structure calculations determined the ionization energy of Br2Y to be ~;;8.3?0.1 eV and further indicated that the lower ionization energies of clusters permitted their detection at≤8 eV photon energies. However, single photon ionization could only detect Br2Y adsorbed within PEMs when using either higher photon energies or matrix addition to the sample. All samples were also analyzed by 25 keV Bi3 + secondary ion mass spectrometry (SIMS), with the negative ion spectra showing strong parent ion signal which complemented that observed by LDPI-MS. The negative ion SIMS depended strongly on the high electron affinity of this specific analyte and the analyte?s condensed phase environment.

Histology-directed and imaging mass spectrometry: an emerging technology in ectopic calcification

OpenAIRE

Taverna, Domenico; Boraldi, Federica; De Santis, Giorgio; Caprioli, Richard M; Quaglino, Daniela

2015-01-01

The present study was designed to demonstrate the potential of an optimized histology directed protein identification combined with imaging mass spectrometry technology to reveal and identify molecules associated to ectopic calcification in human tissue. As a proof of concept, mineralized and non-mineralized areas were compared within the same dermal tissue obtained from a patient affected by Pseudoxanthoma elasticum, a genetic disorder characterized by calcification only at specific sites of...

Proposal for a remote sensing trophic state index based upon Thematic Mapper/Landsat images

Directory of Open Access Journals (Sweden)

Evlyn Márcia Leão de Moraes Novo

2013-12-01

Full Text Available This work proposes a trophic state index based on the remote sensing retrieval of chlorophyll-α concentration. For that, in situ Bidirectional Reflectance Factor (BRF data acquired in the Ibitinga reservoir were resampled to match Landsat/TM spectral simulated bands (TM_sim bands and used to run linear correlation with concurrent measurements of chlorophyll-α concentration. Monte Carlo simulation was then applied to select the most suitable model relating chlorophyll-α concentration and simulated TM/Landsat reflectance. TM4_sim/TM3_sim ratio provided the best model with a R2 value of 0.78. The model was then inverted to create a look-up-table (LUT relating TM4_sim/TM3_sim ratio intervals to chlorophyll-α concentration trophic state classes covering the entire range measured in the reservoir. Atmospheric corrected Landsat TM images converted to surface reflectance were then used to generate a TM4/TM3 ratio image. The ratio image frequency distribution encompassed the range of TM4_sim/TM3_sim ratio indicating agreement between in situ and satellite data and supporting the use of satellite data to map chlorophyll- concentration trophic state distribution in the reservoir. Based on that, the LUT was applied to a Landsat/TM ratio image to map the spatial distribution of chlorophyll- trophic state classes in Ibitinga reservoir. Despite the stochastic selection of TM4_sim/TM3_sim ratio as the best input variable for modeling the chlorophyll-α concentration, it has a physical basis: high concentration of phytoplankton increases the reflectance in the near-infrared (TM4 and decreases the reflectance in the red (TM3. The band ratio, therefore, enhances the relationship between chlorophyll- concentration and remotely sensed reflectance.

Effects of ionizing radiations on reticulated polymers associated to nuclear wastes. The HSF-SIMS technique contribution; Effets des radiations ionisantes sur les polymeres reticules associes aux dechets nucleaires. Apport de la technique HSF-SIMS

Energy Technology Data Exchange (ETDEWEB)

Debre, O [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire

1997-06-30

Among the materials used for confinement of nuclear wastes of low and medium level activity the epoxyde resins are known as matrices which preserve well their properties in an ionizing environment. This work is dedicated to the investigation of the modifications occurring in molecular structure of these materials as well as of the ion exchange resins they incorporate, irradiated in different conditions. The first part deals with the analysis of a commercial reticulated epoxyde resin submitted to a 2 MGy integral dose gamma irradiation under two different dose rate (51 and 900 Gy/h), and under two different environments (air and water). The results obtained with the techniques providing structure information (time-of-flight mass spectrometry (HSF-SIMS) and FT-IR spectrometry) confirm those obtained by techniques sensible to macroscopic properties of material (DMA, DSC), taking into account that no noticeable irradiation effect can be made evident inside the material. On the other hand, an irradiation carried out in air results in a superficial oxidation, due probably to the action of the air radiolysis products. The preliminary results of an ion irradiation followed by an in-situ HSF-SIMS analysis pointed out to a basic difference between the energy amount transferred by gamma photons and fast ions; the last ones being able to induce scissions of the nearby liaisons in the material. The second part of this work is concerned with the ion exchange resins of the type PS-DVB saturated in water and non-active ions, simulating real wastes, irradiated in the same conditions as the epoxyde resins. In contrast to the results on the last one, it appears that the irradiation of these materials results primarily in scissions of the functional groups on which the ions are attached. In addition to this finding it appears that the role of water as carrying outward the attached ions appears to be fundamental 175 refs.

Protein adsorption/desorption and antibody binding stoichiometry on silicon interferometric biosensors examined with TOF-SIMS

Science.gov (United States)

Gajos, Katarzyna; Budkowski, Andrzej; Petrou, Panagiota; Pagkali, Varvara; Awsiuk, Kamil; Rysz, Jakub; Bernasik, Andrzej; Misiakos, Konstantinos; Raptis, Ioannis; Kakabakos, Sotirios

2018-06-01

Time-of-flight secondary ion mass spectrometry has been employed to examine, with biomolecular discrimination, sensing arm areas (20 μm × 600 μm) of integrated onto silicon chips Mach-Zehnder interferometers aiming to optimize their biofunctionalization with regard to indirect immunochemical (competitive) detection of ochratoxin A. Sensing areas are examined after: modification with (3-aminopropyl)triethoxysilane, spotting of OTA-ovalbumin conjugate (probe) from solutions with different concentration, blocking with bovine serum albumin, reaction with OTA-specific mouse monoclonal antibody followed by goat anti-mouse IgG secondary antibody. Component mass loadings of all proteins involved in immunodetection are determined from TOF-SIMS micro-analysis combined with ellipsometry of planar surfaces. These data show that partial desorption of surface-bound probe and blocking protein takes place upon primary immunoreaction to a degree that depends on probe concentration in spotting solution. Taking into account this desorption, apparent binding stoichiometry of both antibodies in immune complexes formed onto chip surface is determined more accurately than the respective evaluation based on real-time sensor response. In addition, mass loadings for probe and secondary antibody is observed to saturate for optimum probe concentrations. Also, principal component analysis of TOF-SIMS data could resolve both immunoreactions and biofunctionalization and discriminate surfaces prepared with optimum probe concentrations from those prepared using suboptimum ones.

Protein adsorption/desorption and antibody binding stoichiometry on silicon interferometric biosensors examined with TOF-SIMS

KAUST Repository

Gajos, Katarzyna

2018-03-05

Time-of-flight secondary ion mass spectrometry has been employed to examine, with biomolecular discrimination, sensing arm areas (20 μm x 600 μm) of integrated onto silicon chips Mach-Zehnder interferometers aiming to optimize their biofunctionalization with regard to indirect immunochemical (competitive) detection of ochratoxin A. Sensing areas are examined after: modification with (3-aminopropyl)triethoxysilane, spotting of OTA-ovalbumin conjugate (probe) from solutions with different concentration, blocking with bovine serum albumin, reaction with OTA-specific mouse monoclonal antibody followed by goat anti-mouse IgG secondary antibody. Component mass loadings of all proteins involved in immunodetection are determined from TOF-SIMS micro-analysis combined with ellipsometry of planar surfaces. These data show that partial desorption of surface-bound probe and blocking protein takes place upon primary immunoreaction to a degree that depends on probe concentration in spotting solution. Taking into account this desorption, apparent binding stoichiometry of both antibodies in immune complexes formed onto chip surface is determined more accurately than the respective evaluation based on real-time sensor response. In addition, mass loadings for probe and secondary antibody is observed to saturate for optimum probe concentrations. Also, principal component analysis of TOF-SIMS data could resolve both immunoreactions and biofunctionalization and discriminate surfaces prepared with optimum probe concentrations from those prepared using suboptimum ones.

Protein adsorption/desorption and antibody binding stoichiometry on silicon interferometric biosensors examined with TOF-SIMS

KAUST Repository

Gajos, Katarzyna; Budkowski, Andrzej; Petrou, Panagiota; Pagkali, Varvara; Awsiuk, Kamil; Rysz, Jakub; Bernasik, Andrzej; Misiakos, Konstantinos; Raptis, Ioannis; Kakabakos, Sotirios

2018-01-01

Time-of-flight secondary ion mass spectrometry has been employed to examine, with biomolecular discrimination, sensing arm areas (20 μm x 600 μm) of integrated onto silicon chips Mach-Zehnder interferometers aiming to optimize their biofunctionalization with regard to indirect immunochemical (competitive) detection of ochratoxin A. Sensing areas are examined after: modification with (3-aminopropyl)triethoxysilane, spotting of OTA-ovalbumin conjugate (probe) from solutions with different concentration, blocking with bovine serum albumin, reaction with OTA-specific mouse monoclonal antibody followed by goat anti-mouse IgG secondary antibody. Component mass loadings of all proteins involved in immunodetection are determined from TOF-SIMS micro-analysis combined with ellipsometry of planar surfaces. These data show that partial desorption of surface-bound probe and blocking protein takes place upon primary immunoreaction to a degree that depends on probe concentration in spotting solution. Taking into account this desorption, apparent binding stoichiometry of both antibodies in immune complexes formed onto chip surface is determined more accurately than the respective evaluation based on real-time sensor response. In addition, mass loadings for probe and secondary antibody is observed to saturate for optimum probe concentrations. Also, principal component analysis of TOF-SIMS data could resolve both immunoreactions and biofunctionalization and discriminate surfaces prepared with optimum probe concentrations from those prepared using suboptimum ones.

SORCE SIM Level 3 Solar Spectral Irradiance Daily Means V020

Data.gov (United States)

National Aeronautics and Space Administration — The SORCE SIM Solar Spectral Irradiance (SSI) data product SOR3SIMD is constructed using measurements from the SIM instruments, which are combined into merged daily...

SORCE SIM Level 3 Solar Spectral Irradiance Daily Means V022

Data.gov (United States)

National Aeronautics and Space Administration — The SORCE SIM Solar Spectral Irradiance (SSI) data product SOR3SIMD is constructed using measurements from the SIM instruments, which are combined into merged daily...

Imaging mass spectrometry in papillary thyroid carcinoma for the identification and validation of biomarker proteins.

Science.gov (United States)

Min, Kyueng-Whan; Bang, Joo-Young; Kim, Kwang Pyo; Kim, Wan-Seop; Lee, Sang Hwa; Shanta, Selina Rahman; Lee, Jeong Hwa; Hong, Ji Hye; Lim, So Dug; Yoo, Young-Bum; Na, Chan-Hyun

2014-07-01

Direct tissue imaging mass spectrometry (IMS) by matrix-assisted laser desorption ionization and time-of-flight (MALDI-TOF) mass spectrometry has become increasingly important in biology and medicine, because this technology can detect the relative abundance and spatial distribution of interesting proteins in tissues. Five thyroid cancer samples, along with normal tissue, were sliced and transferred onto conductive glass slides. After laser scanning by MALDI-TOF equipped with a smart beam laser, images were created for individual masses and proteins were classified at 200-µm spatial resolution. Based on the spatial distribution, region-specific proteins on a tumor lesion could be identified by protein extraction from tumor tissue and analysis using liquid chromatography with tandem mass spectrometry (LC-MS/MS). Using all the spectral data at each spot, various intensities of a specific peak were detected in the tumor and normal regions of the thyroid. Differences in the molecular weights of expressed proteins between tumor and normal regions were analyzed using unsupervised and supervised clustering. To verify the presence of discovered proteins through IMS, we identified ribosomal protein P2, which is specific for cancer. We have demonstrated the feasibility of IMS as a useful tool for the analysis of tissue sections, and identified the tumor-specific protein ribosomal protein P2.

Systems Engineering and Application of System Performance Modeling in SIM Lite Mission

Science.gov (United States)

Moshir, Mehrdad; Murphy, David W.; Milman, Mark H.; Meier, David L.

2010-01-01

The SIM Lite Astrometric Observatory will be the first space-based Michelson interferometer operating in the visible wavelength, with the ability to perform ultra-high precision astrometric measurements on distant celestial objects. SIM Lite data will address in a fundamental way questions such as characterization of Earth-mass planets around nearby stars. To accomplish these goals it is necessary to rely on a model-based systems engineering approach - much more so than most other space missions. This paper will describe in further detail the components of this end-to-end performance model, called "SIM-sim", and show how it has helped the systems engineering process.

Metrology aspects of SIMS depth profiling for advanced ULSI processes

International Nuclear Information System (INIS)

Budrevich, Andre; Hunter, Jerry

1998-01-01

As the semiconductor industry roadmap passes through the 0.1 μm technology node, the junction depth of the transistor source/drain extension will be required to be less than 20 nm and the well doping will be near 1.0 μm in depth. The development of advanced ULSI processing techniques requires the evolution of new metrology tools to ensure process capability. High sensitivity (ppb) coupled with excellent depth resolution (1 nm) makes SIMS the technique of choice for measuring the in-depth chemical distribution of these dopants with high precision and accuracy. This paper will discuss the issues, which impact the accuracy and precision of SIMS measurements of ion implants (both shallow and deep). First this paper will discuss common uses of the SIMS technique in the technology development and manufacturing of advanced ULSI processes. In the second part of this paper the ability of SIMS to make high precision measurements of ion implant depth profiles will be studied

Quantitating subcellular metabolism with multi-isotope imaging mass spectrometry

Science.gov (United States)

Steinhauser, Matthew L.; Bailey, Andrew; Senyo, Samuel E.; Guillermier, Christelle; Perlstein, Todd S.; Gould, Alex P.; Lee, Richard T.; Lechene, Claude P.

2011-01-01

Mass spectrometry with stable isotope labels has been seminal in discovering the dynamic state of living matter1,2 but is limited to bulk tissues or cells. We developed multi-isotope imaging mass spectrometry (MIMS) that allowed us to view and measure stable isotope incorporation with sub-micron resolution3,4. Here we apply MIMS to diverse organisms, including Drosophila, mice, and humans. We test the “immortal strand hypothesis,” which predicts that during asymmetric stem cell division chromosomes containing older template DNA are segregated to the daughter destined to remain a stem cell, thus insuring lifetime genetic stability. After labeling mice with 15N-thymidine from gestation through post-natal week 8, we find no 15N label retention by dividing small intestinal crypt cells after 4wk chase. In adult mice administered 15N-thymidine pulse-chase, we find that proliferating crypt cells dilute label consistent with random strand segregation. We demonstrate the broad utility of MIMS with proof-of-principle studies of lipid turnover in Drosophila and translation to the human hematopoietic system. These studies show that MIMS provides high-resolution quantitation of stable isotope labels that cannot be obtained using other techniques and that is broadly applicable to biological and medical research. PMID:22246326

Sims, Christopher Albert (born 1942)

NARCIS (Netherlands)

Boumans, Marcel

2015-01-01

Christopher Sims is one of the leaders in time-series econometrics and empirical macroeconomics and is well known for introducing the VAR approach to econometrics and macroeconomic modelling. Sims’ main contribution to empirical macroeconomics was to show how macro-econometric modeling should be

In situ SEM and ToF-SIMS analysis of IgG conjugated gold nanoparticles at aqueous surfaces

Energy Technology Data Exchange (ETDEWEB)

Yang, Li; Zhu, Zihua; Yu, Xiao-Ying; Rodek, Gene; Saraf, Laxmikant V.; Thevuthasan, Suntharampillai; Cowin, James P.

2014-04-01

In this study, we report new results of in situ study of 5 nm goat anti-mouse IgG gold nanoparticles in a novel portable vacuum compatible microfluidic device using scanning electron microscope (SEM) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The unique feature of the liquid flow cell is that the detection window is open to the vacuum allowing direct probing of the liquid surface. The flow cell is composed of a silicon nitride (SiN) membrane and polydimethylsiloxane (PDMS), and it is fully compatible with vacuum operations for surface analysis. The aperture can be drilled through the 100 nm SiN membrane using a focused ion beam. Characteristic signals of the conjugated gold nanoparticles were successfully observed through the aperture by both energy-dispersive X-ray spectroscopy (EDX) in SEM and ToF-SIMS. Comparison was also made among wet samples, dry samples, and liquid sample in the flow cell using SEM/EDX. Stronger gold signal can be observed in our novel portable device by SEM/EDX compared with the wet or dry samples, respectively. Our results indicate that analyses of the nanoparticle components are better made in their native liquid environment. This is made possible using our unique microfluidic flow cell.

Phase 1 Validation Testing and Simulation for the WEC-Sim Open Source Code

Science.gov (United States)

Ruehl, K.; Michelen, C.; Gunawan, B.; Bosma, B.; Simmons, A.; Lomonaco, P.

2015-12-01

WEC-Sim is an open source code to model wave energy converters performance in operational waves, developed by Sandia and NREL and funded by the US DOE. The code is a time-domain modeling tool developed in MATLAB/SIMULINK using the multibody dynamics solver SimMechanics, and solves the WEC's governing equations of motion using the Cummins time-domain impulse response formulation in 6 degrees of freedom. The WEC-Sim code has undergone verification through code-to-code comparisons; however validation of the code has been limited to publicly available experimental data sets. While these data sets provide preliminary code validation, the experimental tests were not explicitly designed for code validation, and as a result are limited in their ability to validate the full functionality of the WEC-Sim code. Therefore, dedicated physical model tests for WEC-Sim validation have been performed. This presentation provides an overview of the WEC-Sim validation experimental wave tank tests performed at the Oregon State University's Directional Wave Basin at Hinsdale Wave Research Laboratory. Phase 1 of experimental testing was focused on device characterization and completed in Fall 2015. Phase 2 is focused on WEC performance and scheduled for Winter 2015/2016. These experimental tests were designed explicitly to validate the performance of WEC-Sim code, and its new feature additions. Upon completion, the WEC-Sim validation data set will be made publicly available to the wave energy community. For the physical model test, a controllable model of a floating wave energy converter has been designed and constructed. The instrumentation includes state-of-the-art devices to measure pressure fields, motions in 6 DOF, multi-axial load cells, torque transducers, position transducers, and encoders. The model also incorporates a fully programmable Power-Take-Off system which can be used to generate or absorb wave energy. Numerical simulations of the experiments using WEC-Sim will be

SIMS prototype system 1 test results: Engineering analysis

Science.gov (United States)

1978-01-01

The space and domestic water solar heating system designated SIMS Prototype Systems 1 was evaluated. The test system used 720 ft (gross) of Solar Energy Products Air Collectors, a Solar Control Corporation SAM 20 Air Handler with Model 75-175 control unit, a Jackson Solar Storage tank with Rho Sigma Mod 106 controller, and 20 tons of rack storage. The test data analysis performed evaluates the system performance and documents the suitability of SIMS Prototype System 1 hardware for field installation.

Chemometric and Statistical Analyses of ToF-SIMS Spectra of Increasingly Complex Biological Samples

Energy Technology Data Exchange (ETDEWEB)

Berman, E S; Wu, L; Fortson, S L; Nelson, D O; Kulp, K S; Wu, K J

2007-10-24

Characterizing and classifying molecular variation within biological samples is critical for determining fundamental mechanisms of biological processes that will lead to new insights including improved disease understanding. Towards these ends, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to examine increasingly complex samples of biological relevance, including monosaccharide isomers, pure proteins, complex protein mixtures, and mouse embryo tissues. The complex mass spectral data sets produced were analyzed using five common statistical and chemometric multivariate analysis techniques: principal component analysis (PCA), linear discriminant analysis (LDA), partial least squares discriminant analysis (PLSDA), soft independent modeling of class analogy (SIMCA), and decision tree analysis by recursive partitioning. PCA was found to be a valuable first step in multivariate analysis, providing insight both into the relative groupings of samples and into the molecular basis for those groupings. For the monosaccharides, pure proteins and protein mixture samples, all of LDA, PLSDA, and SIMCA were found to produce excellent classification given a sufficient number of compound variables calculated. For the mouse embryo tissues, however, SIMCA did not produce as accurate a classification. The decision tree analysis was found to be the least successful for all the data sets, providing neither as accurate a classification nor chemical insight for any of the tested samples. Based on these results we conclude that as the complexity of the sample increases, so must the sophistication of the multivariate technique used to classify the samples. PCA is a preferred first step for understanding ToF-SIMS data that can be followed by either LDA or PLSDA for effective classification analysis. This study demonstrates the strength of ToF-SIMS combined with multivariate statistical and chemometric techniques to classify increasingly complex biological samples

Trace and surface analysis of ceramic layers of solid oxide fuel cells by mass spectrometry.

Science.gov (United States)

Becker, J S; Breuer, U; Westheide, J; Saprykin, A I; Holzbrecher, H; Nickel, H; Dietze, H J

1996-06-01

For the trace analysis of impurities in thick ceramic layers of a solid oxide fuel cell (SOFC) sensitive solid-state mass spectrometric methods, such as laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) and radiofrequency glow discharge mass spectrometry (rf-GDMS) have been developed and used. In order to quantify the analytical results of LA-ICP-MS, the relative sensitivity coefficients of elements in a La(0.6)Sr(0.35)MnO(3) matrix have been determined using synthetic standards. Secondary ion mass spectrometry (SIMS) - as a surface analytical method - has been used to characterize the element distribution and diffusion profiles of matrix elements on the interface of a perovskite/Y-stabilized ZrO(2) layer. The application of different mass spectrometric methods for process control in the preparation of ceramic layers for the SOFC is described.

The Pedagogical Benefits of "SimCity" in Urban Geography Education

Science.gov (United States)

Kim, Minsung; Shin, Jungyeop

2016-01-01

This article investigated the pedagogical potential of the "SimCity" simulation game in an urban geography course. University students used "SimCity" to build their own cities and applied a wide range of theories to support their urban structures. Moreover, the students critically evaluated the logic and functioning of the…

Cryo-sectioning of mice for whole-body imaging of drugs and metabolites with desorption electrospray ionization mass spectrometry imaging - a simplified approach

DEFF Research Database (Denmark)

Okutan, Seda; Hansen, Harald S; Janfelt, Christian

2016-01-01

A method is presented for whole-body imaging of drugs and metabolites in mice with desorption electrospray ionization mass spectrometry imaging (DESI-MSI). Unlike most previous approaches to whole-body imaging which are based on cryo-sectioning using a cryo-macrotome, the presented approach...... to simple, sensitive and highly selective whole-body imaging in drug distribution and metabolism studies....... is based on use of the cryo-microtome which is found in any histology lab. The tissue sections are collected on tape which is analyzed directly by DESI-MSI. The method is demonstrated on mice which have been dosed intraperitoneally with the antidepressive drug amitriptyline. By combining full...

Teaching the Teacher: Tutoring SimStudent Leads to More Effective Cognitive Tutor Authoring

Science.gov (United States)

Matsuda, Noboru; Cohen, William W.; Koedinger, Kenneth R.

2015-01-01

SimStudent is a machine-learning agent initially developed to help novice authors to create cognitive tutors without heavy programming. Integrated into an existing suite of software tools called Cognitive Tutor Authoring Tools (CTAT), SimStudent helps authors to create an expert model for a cognitive tutor by tutoring SimStudent on how to solve…

Murine cutaneous leishmaniasis investigated by MALDI mass spectrometry imaging.

Science.gov (United States)

Negrão, Fernanda; de O Rocha, Daniele F; Jaeeger, Caroline F; Rocha, Francisca J S; Eberlin, Marcos N; Giorgio, Selma

2017-09-26

Imaging mass spectrometry (IMS) is recognized as a powerful tool to investigate the spatial distribution of untargeted or targeted molecules of a wide variety of samples including tissue sections. Leishmania is a protozoan parasite that causes different clinical manifestations in mammalian hosts. Leishmaniasis is a major public health risk in different continents and represents one of the most important neglected diseases. Cutaneous lesions from mice experimentally infected with Leishmania spp. were investigated by matrix-assisted laser desorption ionization MS using the SCiLS Lab software for statistical analysis. Being applied to cutaneous leishmaniasis (CL) for the first time, MALDI-IMS was used to search for peptides and low molecular weight proteins (2-10 kDa) as candidates for potential biomarkers. Footpad sections of Balb/c mice infected with (i) Leishmania amazonensis or (ii) Leishmania major were imaged. The comparison between healthy and infected skin highlighted a set of twelve possible biomarker proteins for L. amazonenis and four proteins for L. major. Further characterization of these proteins could reveal how these proteins act in pathology progression and confirm their values as biomarkers.

Project Status Update and SIM Science Breadth Discussion for the Origins Subcommittee (OS)

Science.gov (United States)

Marr, James C., IV; Shao, Mike

2003-01-01

This viewgraph presentation is composed of two sections The first reviews the features and the science goals of the Space Interferometry Mission (SIM). The goals are: (1) Perform a search for other planetary systems by surveying 2000 nearby stars for astrometric signatures of planetary companion, (2) Survey a sample of 200 nearby stars for orbiting planets down to terrestrial-type masses (3) Improve best current catalog of star positions by >lOOx and extend to fainter stars to allow extension of stellar knowledge to include our entire galaxy (4) Study dynamics and evolution of stars and star clusters in our galaxy to understand how our galaxy was formed and how it will evolve. (5) Calibrate luminosities of important stars and cosmological distance indicators to improve our understanding of stellar processes and to measure precise distance in the distant universe. The presentation also reviews the accomplishments since 2002, the plans for the subsequent 6 months. The second entitled "The Breadth of SIM Science," reviews SIM science goals in a larger context. SIM will serve to complement and pave the way for the Terrestrial Planet Finder (TPF). SIM observations of the motions of stars will tell us about the distribution of all gravitating mass (light plus dark matter) in the Galaxy. SIM observations of the motions of dwarf galaxies around our own will determine the mass distribution (light plus dark matter in the Halo. SIM will greatly extend these observations to test the theories of accretion disks around super massive black holes. SIM has advantages for studying AGN and other very compact objects.

Simulation modeling of cloud computing for smart grid using CloudSim

Directory of Open Access Journals (Sweden)

Sandeep Mehmi

2017-05-01

Full Text Available In this paper a smart grid cloud has been simulated using CloudSim. Various parameters like number of virtual machines (VM, VM Image size, VM RAM, VM bandwidth, cloudlet length, and their effect on cost and cloudlet completion time in time-shared and space-shared resource allocation policy have been studied. As the number of cloudlets increased from 68 to 178, greater number of cloudlets completed their execution with high cloudlet completion time in time-shared allocation policy as compared to space-shared allocation policy. Similar trend has been observed when VM bandwidth is increased from 1 Gbps to 10 Gbps and VM RAM is increased from 512 MB to 5120 MB. The cost of processing increased linearly with respect to increase in number of VMs, VM Image size and cloudlet length.

Visualizing fungal metabolites during mycoparasitic interaction by MALDI mass spectrometry imaging

Science.gov (United States)

Holzlechner, Matthias; Reitschmidt, Sonja; Gruber, Sabine; Zeilinger, Susanne

2016-01-01

Studying microbial interactions by MALDI mass spectrometry imaging (MSI) directly from growing media is a difficult task if high sensitivity is demanded. We present a quick and robust sample preparation strategy for growing fungi (Trichoderma atroviride, Rhizoctonia solani) on glass slides to establish a miniaturized confrontation assay. By this we were able to visualize metabolite distributions by MALDI MSI after matrix deposition with a home‐built sublimation device and thorough recrystallization. We present for the first time MALDI MSI data for secondary metabolite release during active mycoparasitism. PMID:26959280

New Ionization and Detection Technologies for Mass Spectrometry Imaging. From Small Molecules to Intact Proteins

NARCIS (Netherlands)

Kiss, A.

2014-01-01

There is a constantly growing interest in biomedical research to visualize changes in the location of various biomolecules in tissue sections as a result of complex diseases. Mass spectrometry imaging is one of the techniques that enable the mapping of molecules on a 2D surface. However, the

ChromBiSim: Interactive chromatin biclustering using a simple approach.

Science.gov (United States)

Noureen, Nighat; Zohaib, Hafiz Muhammad; Qadir, Muhammad Abdul; Fazal, Sahar

2017-10-01

Combinatorial patterns of histone modifications sketch the epigenomic locale. Specific positions of these modifications in the genome are marked by the presence of such signals. Various methods highlight such patterns on global scale hence missing the local patterns which are the actual hidden combinatorics. We present ChromBiSim, an interactive tool for mining subsets of modifications from epigenomic profiles. ChromBiSim efficiently extracts biclusters with their genomic locations. It is the very first user interface based and multiple cell type handling tool for decoding the interplay of subsets of histone modifications combinations along their genomic locations. It displays the results in the forms of charts and heat maps in accordance with saving them in files which could be used for post analysis. ChromBiSim tested on multiple cell types produced in total 803 combinatorial patterns. It could be used to highlight variations among diseased versus normal cell types of any species. ChromBiSim is available at (http://sourceforge.net/projects/chrombisim) in C-sharp and python languages. Copyright © 2017 Elsevier Inc. All rights reserved.

Simultaneous imaging of multiple neurotransmitters and neuroactive substances in the brain by desorption electrospray ionization mass spectrometry

OpenAIRE

Shariatgorji, Mohammadreza; Strittmatter, Nicole; Nilsson, Anna; Kallbäck, Patrik; Alvarsson, Alexandra; Zhang, Xiaoqun; Vallianatou, Theodosia; Svenningsson, Per; Goodwin, Richard J. A.; Andrén, Per E.

2016-01-01

With neurological processes involving multiple neurotransmitters and neuromodulators, it is important to have the ability to directly map and quantify multiple signaling molecules simultaneously in a single analysis. By utilizing a molecular-specific approach, namely desorption electrospray ionization mass spectrometry imaging (DESI-MSI), we demonstrated that the technique can be used to image multiple neurotransmitters and their metabolites (dopamine, dihydroxyphenylacetic acid, 3-methoxytyr...

Contamination-free Ge-based graphene as revealed by graphene enhanced secondary ion mass spectrometry (GESIMS)

Science.gov (United States)

Michałowski, P. P.; Pasternak, I.; Strupiński, W.

2018-01-01

In this study, we demonstrate that graphene grown on Ge does not contain any copper contamination, and identify some of the errors affecting the accuracy of commonly used measurement methods. Indeed, one of these, the secondary ion mass spectrometry (SIMS) technique, reveals copper contamination in Ge-based graphene but does not take into account the effect of the presence of the graphene layer. We have shown that this layer increases negative ionization significantly, and thus yields false results, but also that the graphene enhances, by an order of two, the magnitude of the intensity of SIMS signals when compared with a similar graphene-free sample, enabling much better detection limits. This forms the basis of a new measurement procedure, graphene enhanced SIMS (GESIMS) (pending European patent application no. EP 16461554.4), which allows for the precise estimation of the realistic distribution of dopants and contamination in graphene. In addition, we present evidence that the GESIMS effect leads to unexpected mass interferences with double-ionized species, and that these interferences are negligible in samples without graphene. The GESIMS method also shows that graphene transferred from Cu results in increased copper contamination.

Verification of the sputter-generated {sup 32}SF{sub n}{sup −} (n = 1–6) anions by accelerator mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Mane, R.G.; Surendran, P. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Kumar, Sanjay [Physics Department, Agra College Agra, Agra 282002 (India); Nair, J.P.; Yadav, M.L. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Hemalatha, M. [UM-DAE Centre for Excellence in Basic Sciences, Mumbai 400098 (India); Thomas, R.G.; Mahata, K. [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India); Kailas, S. [UM-DAE Centre for Excellence in Basic Sciences, Mumbai 400098 (India); Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Gupta, A.K., E-mail: anit@tifr.res.in [Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2016-01-01

Recently, we have performed systematic Secondary Ion Mass Spectrometry (SIMS) measurements at our ion source test set up and have demonstrated that gas phase {sup 32}SF{sub n}{sup −} (n = 1–6) anions for all size ‘n’ can be readily generated from a variety of surfaces undergoing Cs{sup +} ion sputtering in the presence of high purity SF{sub 6} gas by employing the gas spray-cesium sputter technique. In our SIMS measurements, the isotopic yield ratio {sup 34}SF{sub n}{sup −}/{sup 32}SF{sub n}{sup −} (n = 1–6) was found to be close to its natural abundance but not for all size ‘n’. In order to gain further insight into the constituents of these molecular anions, ultra sensitive Accelerator Mass Spectrometry (AMS) measurements were conducted with the most abundant {sup 32}SF{sub n}{sup −} (n = 1–6) anions, at BARC-TIFR 14 UD Pelletron accelerator. The results from these measurements are discussed in this paper.

Metabolomic imaging of prostate cancer with magnetic resonance spectroscopy and mass spectrometry

International Nuclear Information System (INIS)

Spur, Eva-Margarete; Decelle, Emily A.; Cheng, Leo L.

2013-01-01

Metabolomic imaging of prostate cancer (PCa) aims to improve in vivo imaging capability so that PCa tumors can be localized noninvasively to guide biopsy and evaluated for aggressiveness prior to prostatectomy, as well as to assess and monitor PCa growth in patients with asymptomatic PCa newly diagnosed by biopsy. Metabolomics studies global variations of metabolites with which malignancy conditions can be evaluated by profiling the entire measurable metabolome, instead of focusing only on certain metabolites or isolated metabolic pathways. At present, PCa metabolomics is mainly studied by magnetic resonance spectroscopy (MRS) and mass spectrometry (MS). With MRS imaging, the anatomic image, obtained from magnetic resonance imaging, is mapped with values of disease condition-specific metabolomic profiles calculated from MRS of each location. For example, imaging of removed whole prostates has demonstrated the ability of metabolomic profiles to differentiate cancerous foci from histologically benign regions. Additionally, MS metabolomic imaging of prostate biopsies has uncovered metabolomic expression patterns that could discriminate between PCa and benign tissue. Metabolomic imaging offers the potential to identify cancer lesions to guide prostate biopsy and evaluate PCa aggressiveness noninvasively in vivo, or ex vivo to increase the power of pathology analysis. Potentially, this imaging ability could be applied not only to PCa, but also to different tissues and organs to evaluate other human malignancies and metabolic diseases. (orig.)

Metabolomic imaging of prostate cancer with magnetic resonance spectroscopy and mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Spur, Eva-Margarete [Massachusetts General Hospital, Harvard Medical School, Department of Pathology, Boston, MA (United States); Massachusetts General Hospital, Harvard Medical School, Department of Radiology, Boston, MA (United States); Charite Universitaetsmedizin, Berlin (Germany); Decelle, Emily A.; Cheng, Leo L. [Massachusetts General Hospital, Harvard Medical School, Department of Pathology, Boston, MA (United States); Massachusetts General Hospital, Harvard Medical School, Department of Radiology, Boston, MA (United States)

2013-07-15

Metabolomic imaging of prostate cancer (PCa) aims to improve in vivo imaging capability so that PCa tumors can be localized noninvasively to guide biopsy and evaluated for aggressiveness prior to prostatectomy, as well as to assess and monitor PCa growth in patients with asymptomatic PCa newly diagnosed by biopsy. Metabolomics studies global variations of metabolites with which malignancy conditions can be evaluated by profiling the entire measurable metabolome, instead of focusing only on certain metabolites or isolated metabolic pathways. At present, PCa metabolomics is mainly studied by magnetic resonance spectroscopy (MRS) and mass spectrometry (MS). With MRS imaging, the anatomic image, obtained from magnetic resonance imaging, is mapped with values of disease condition-specific metabolomic profiles calculated from MRS of each location. For example, imaging of removed whole prostates has demonstrated the ability of metabolomic profiles to differentiate cancerous foci from histologically benign regions. Additionally, MS metabolomic imaging of prostate biopsies has uncovered metabolomic expression patterns that could discriminate between PCa and benign tissue. Metabolomic imaging offers the potential to identify cancer lesions to guide prostate biopsy and evaluate PCa aggressiveness noninvasively in vivo, or ex vivo to increase the power of pathology analysis. Potentially, this imaging ability could be applied not only to PCa, but also to different tissues and organs to evaluate other human malignancies and metabolic diseases. (orig.)

Sims for Science: Powerful Tools to Support Inquiry-Based Teaching

Science.gov (United States)

Perkins, Katherine K.; Loeblein, Patricia J.; Dessau, Kathryn L.

2010-01-01

Since 2002, the PhET Interactive Simulations project at the University of Colorado has been working to provide learning tools for students and teachers. The project has developed over 85 interactive simulations--or sims--for teaching and learning science. Although these sims can be used in a variety of ways, they are specifically designed to make…

Mass spectrometry imaging: a novel technology in rheumatology.

Science.gov (United States)

Rocha, Beatriz; Ruiz-Romero, Cristina; Blanco, Francisco J

2017-01-01

Mass spectrometry imaging (MSI) is used to determine the relative abundance and spatial distribution of biomolecules such as peptides, proteins, lipids and other organic compounds in tissue sections by their molecular masses. This technique provides a sensitive and label-free approach for high-resolution imaging, and is currently used in an increasing number of biomedical applications such as biomarker discovery, tissue classification and drug monitoring. Owing to technological advances in the past 5 years in diverse MSI strategies, this technology is expected to become a standard tool in clinical practice and provides information complementary to that obtained using existing methods. Given that MSI is able to extract mass-spectral signatures from pathological tissue samples, this technique provides a novel platform to study joint-related tissues affected by rheumatic diseases. In rheumatology, MSI has been performed on articular cartilage, synovium and bone to increase the understanding of articular destruction and to characterize diagnostic and prognostic biomarkers for osteoarthritis, rheumatoid arthritis and osteoporosis. In this Review, we provide an overview of MSI technology and of the studies in which joint tissues have been analysed by use of this methodology. This approach might increase knowledge of rheumatic pathologies and ultimately prompt the development of targeted strategies for their management.

DynaSim: A MATLAB Toolbox for Neural Modeling and Simulation.

Science.gov (United States)

Sherfey, Jason S; Soplata, Austin E; Ardid, Salva; Roberts, Erik A; Stanley, David A; Pittman-Polletta, Benjamin R; Kopell, Nancy J

2018-01-01

DynaSim is an open-source MATLAB/GNU Octave toolbox for rapid prototyping of neural models and batch simulation management. It is designed to speed up and simplify the process of generating, sharing, and exploring network models of neurons with one or more compartments. Models can be specified by equations directly (similar to XPP or the Brian simulator) or by lists of predefined or custom model components. The higher-level specification supports arbitrarily complex population models and networks of interconnected populations. DynaSim also includes a large set of features that simplify exploring model dynamics over parameter spaces, running simulations in parallel using both multicore processors and high-performance computer clusters, and analyzing and plotting large numbers of simulated data sets in parallel. It also includes a graphical user interface (DynaSim GUI) that supports full functionality without requiring user programming. The software has been implemented in MATLAB to enable advanced neural modeling using MATLAB, given its popularity and a growing interest in modeling neural systems. The design of DynaSim incorporates a novel schema for model specification to facilitate future interoperability with other specifications (e.g., NeuroML, SBML), simulators (e.g., NEURON, Brian, NEST), and web-based applications (e.g., Geppetto) outside MATLAB. DynaSim is freely available at http://dynasimtoolbox.org. This tool promises to reduce barriers for investigating dynamics in large neural models, facilitate collaborative modeling, and complement other tools being developed in the neuroinformatics community.

Benchmarking Exercises To Validate The Updated ELLWF GoldSim Slit Trench Model

International Nuclear Information System (INIS)

Taylor, G. A.; Hiergesell, R. A.

2013-01-01

The Savannah River National Laboratory (SRNL) results of the 2008 Performance Assessment (PA) (WSRC, 2008) sensitivity/uncertainty analyses conducted for the trenches located in the EArea LowLevel Waste Facility (ELLWF) were subject to review by the United States Department of Energy (U.S. DOE) Low-Level Waste Disposal Facility Federal Review Group (LFRG) (LFRG, 2008). LFRG comments were generally approving of the use of probabilistic modeling in GoldSim to support the quantitative sensitivity analysis. A recommendation was made, however, that the probabilistic models be revised and updated to bolster their defensibility. SRS committed to addressing those comments and, in response, contracted with Neptune and Company to rewrite the three GoldSim models. The initial portion of this work, development of Slit Trench (ST), Engineered Trench (ET) and Components-in-Grout (CIG) trench GoldSim models, has been completed. The work described in this report utilizes these revised models to test and evaluate the results against the 2008 PORFLOW model results. This was accomplished by first performing a rigorous code-to-code comparison of the PORFLOW and GoldSim codes and then performing a deterministic comparison of the two-dimensional (2D) unsaturated zone and three-dimensional (3D) saturated zone PORFLOW Slit Trench models against results from the one-dimensional (1D) GoldSim Slit Trench model. The results of the code-to-code comparison indicate that when the mechanisms of radioactive decay, partitioning of contaminants between solid and fluid, implementation of specific boundary conditions and the imposition of solubility controls were all tested using identical flow fields, that GoldSim and PORFLOW produce nearly identical results. It is also noted that GoldSim has an advantage over PORFLOW in that it simulates all radionuclides simultaneously - thus avoiding a potential problem as demonstrated in the Case Study (see Section 2.6). Hence, it was concluded that the follow

Benchmarking Exercises To Validate The Updated ELLWF GoldSim Slit Trench Model

Energy Technology Data Exchange (ETDEWEB)

Taylor, G. A.; Hiergesell, R. A.

2013-11-12

The Savannah River National Laboratory (SRNL) results of the 2008 Performance Assessment (PA) (WSRC, 2008) sensitivity/uncertainty analyses conducted for the trenches located in the EArea LowLevel Waste Facility (ELLWF) were subject to review by the United States Department of Energy (U.S. DOE) Low-Level Waste Disposal Facility Federal Review Group (LFRG) (LFRG, 2008). LFRG comments were generally approving of the use of probabilistic modeling in GoldSim to support the quantitative sensitivity analysis. A recommendation was made, however, that the probabilistic models be revised and updated to bolster their defensibility. SRS committed to addressing those comments and, in response, contracted with Neptune and Company to rewrite the three GoldSim models. The initial portion of this work, development of Slit Trench (ST), Engineered Trench (ET) and Components-in-Grout (CIG) trench GoldSim models, has been completed. The work described in this report utilizes these revised models to test and evaluate the results against the 2008 PORFLOW model results. This was accomplished by first performing a rigorous code-to-code comparison of the PORFLOW and GoldSim codes and then performing a deterministic comparison of the two-dimensional (2D) unsaturated zone and three-dimensional (3D) saturated zone PORFLOW Slit Trench models against results from the one-dimensional (1D) GoldSim Slit Trench model. The results of the code-to-code comparison indicate that when the mechanisms of radioactive decay, partitioning of contaminants between solid and fluid, implementation of specific boundary conditions and the imposition of solubility controls were all tested using identical flow fields, that GoldSim and PORFLOW produce nearly identical results. It is also noted that GoldSim has an advantage over PORFLOW in that it simulates all radionuclides simultaneously - thus avoiding a potential problem as demonstrated in the Case Study (see Section 2.6). Hence, it was concluded that the follow

Direct evaluation of thyroid 127I and iodine overload: in vivo study by X-ray fluorescence and in vitro by SIMS microscopy

International Nuclear Information System (INIS)

Briancon, C.; Jeusset, J.; Halpern, S.; Fragu, P.

1992-01-01

This review describes the two methods which allow direct estimation of stable iodine ( 127 I) within thyroid gland either in vivo by X-ray fluorescence or in vitro by secondary ion mass spectrometry (SIMS) microscopy on tissue section. Although the measurement of thyroid iodine content (TIC) by X-ray fluorescence has little relevance for routine explorations of thyroid function, this is a valuable method for understanding complex pathophysiological conditions such as the thyroid adaptation to iodine overload. On the other hand, SIMS microscopy which is able to characterize the functional activity of thyroid tissue by measuring 127 I concentration within the thyroid follicles, can be used to determine the extent to which exogeneous iodine affects the regulation of iodine within the thyroid follicles. Both methods were used to evaluate the quantitative changes in thyroid 127 I induced by amiodarone iodine overload. TIC measurements shows that hyperthyroidism occured only in patients who increased their iodine stores, while the patients who developed hypothyroidism has low iodine stores. The SIMS microscopy data obtained in mice demonstrated that the thyroid response to amiodarone is related to dietary iodine intake leading to an increase in local iodine concentration in iodine deficient mice and to a decrease in iodine supplemented mice. This response is specific and different from that induced by an iodine overload. These results could explain that hyperthyroidism with high thyroid iodine content occured in areas with low thyroid iodine content in areas with a supplemented iodine diet

The Structured Inventory of Malingered Symptomatology (SIMS): a systematic review and meta-analysis.

Science.gov (United States)

van Impelen, Alfons; Merckelbach, Harald; Jelicic, Marko; Merten, Thomas

2014-01-01

We meta-analytically reviewed studies that used the Structured Inventory of Malingered Symptomatology (SIMS) to detect feigned psychopathology. We present weighted mean diagnostic accuracy and predictive power indices in various populations, based on 31 studies, including 61 subsamples and 4009 SIMS protocols. In addition, we provide normative data of patients, claimants, defendants, nonclinical adults, and various experimental feigners, based on 41 studies, including 125 subsamples and 4810 SIMS protocols. We conclude that the SIMS (1) is able to differentiate well between instructed feigners and honest responders; (2) generates heightened scores in groups that are known to have a raised prevalence of feigning (e.g., offenders who claim crime-related amnesia); (3) may overestimate feigning in patients who suffer from schizophrenia, intellectual disability, or psychogenic non-epileptic seizures; and (4) is fairly robust against coaching. The diagnostic power of the traditional cut scores of the SIMS (i.e., > 14 and > 16) is not so much limited by their sensitivity—which is satisfactory—but rather by their substandard specificity. This, however, can be worked around by combining the SIMS with other symptom validity measures and by raising the cut score, although the latter solution sacrifices sensitivity for specificity.

Assessment of different sample preparation routes for mass spectrometric monitoring and imaging of lipids in bone cells via ToF-SIMS

Science.gov (United States)

Schaepe, Kaija; Kokesch-Himmelreich, Julia; Rohnke, Marcus; Wagner, Alena-Svenja; Schaaf, Thimo; Wenisch, Sabine; Janek, Jürgen

2015-01-01

In ToF-SIMS analysis, the experimental outcome from cell experiments is to a great extent influenced by the sample preparation routine. In order to better judge this critical influence in the case of lipid analysis, a detailed comparison of different sample preparation routines is performed—aiming at an optimized preparation routine for systematic lipid imaging of cell cultures. For this purpose, human mesenchymal stem cells were analyzed: (a) as chemically fixed, (b) freeze-dried, and (c) frozen-hydrated. For chemical fixation, different fixatives, i.e., glutaraldehyde, paraformaldehyde, and a mixture of both, were tested with different postfixative handling procedures like storage in phosphate buffered saline, water or critical point drying. Furthermore, secondary lipid fixation via osmium tetroxide was taken into account and the effect of an ascending alcohol series with and without this secondary lipid fixation was evaluated. Concerning freeze-drying, three different postprocessing possibilities were examined. One can be considered as a pure cryofixation technique while the other two routes were based on chemical fixation. Cryofixation methods known from literature, i.e., freeze-fracturing and simple frozen-hydrated preparation, were also evaluated to complete the comparison of sample preparation techniques. Subsequent data evaluation of SIMS spectra in both, positive and negative, ion mode was performed via principal component analysis by use of peak sets representative for lipids. For freeze-fracturing, these experiments revealed poor reproducibility making this preparation route unsuitable for systematic investigations and statistic data evaluation. Freeze-drying after cryofixation showed improved reproducibility and well preserved lipid contents while the other freeze-drying procedures showed drawbacks in one of these criteria. In comparison, chemical fixation techniques via glutar- and/or paraformaldehyde proved most suitable in terms of reproducibility

SimCP3—An Advanced Homologue of SimCP2 as a Solution-Processed Small Molecular Host Material for Blue Phosphorescence Organic Light-Emitting Diodes

Directory of Open Access Journals (Sweden)

Yi-Ting Lee

2016-09-01

Full Text Available We have overcome the synthetic difficulty of 9,9′,9′′,9′′′,9′′′′,9′′′′′-((phenylsilanetriyltris(benzene-5,3,1-triylhexakis(9H-carbazole (SimCP3 an advanced homologue of previously known SimCP2 as a solution-processed, high triplet gap energy host material for a blue phosphorescence dopant. A series of organic light-emitting diodes based on blue phosphorescence dopant iridium (III bis(4,6-difluorophenylpyridinatopicolate, FIrpic, were fabricated and tested to demonstrate the validity of solution-processed SimCP3 in the device fabrication.

Detection of high molecular weight proteins by MALDI imaging mass spectrometry.

Science.gov (United States)

Mainini, Veronica; Bovo, Giorgio; Chinello, Clizia; Gianazza, Erica; Grasso, Marco; Cattoretti, Giorgio; Magni, Fulvio

2013-06-01

MALDI imaging mass spectrometry (IMS) is a unique technology to explore the spatial distribution of biomolecules directly on tissues. It allows the in situ investigation of a large number of small proteins and peptides. Detection of high molecular weight proteins through MALDI IMS still represents an important challenge, as it would allow the direct investigation of the distribution of more proteins involved in biological processes, such as cytokines, enzymes, neuropeptide precursors and receptors. In this work we compare the traditional method performed with sinapinic acid with a comparable protocol using ferulic acid as the matrix. Data show a remarkable increase of signal acquisition in the mass range of 20k to 150k Th. Moreover, we report molecular images of biomolecules above 70k Th, demonstrating the possibility of expanding the application of this technology both in clinical investigations and basic science.

Preparing strategic information management plans for hospitals: a practical guideline SIM plans for hospitals: a guideline.

Science.gov (United States)

Brigl, B; Ammenwerth, E; Dujat, C; Gräber, S; Grosse, A; Häber, A; Jostes, C; Winter, A

2005-01-01

Systematic information management in hospitals demands for a strategic information management plan (SIM plan). As preparing a SIM plan is a considerable challenge we provide a practical guideline that is directly applicable when a SIM plan is going to be prepared. The guideline recommends a detailed structure of a SIM plan and gives advice about its content and the preparation process. It may be used as template, which can be adapted to the individual demands of any hospital. The guideline was used in several hospitals preparing a SIM plan. Experiences showed that the SIM plans could be prepared very efficiently and timely using the guideline, that the proposed SIM plan structure suited well, that the guideline offers enough flexibility to meet the requirements of the individual hospitals and that the specific recommendations of the guideline were very helpful. Nevertheless, we must strive for a more comprehensive theory of strategic information management planning which -- in the sense of enterprise architecture planning -- represents the intrinsic correlations of the different parts of a SIM plan to a greater extent.

Revised mechanism of Boyland-Sims oxidation.

Science.gov (United States)

Marjanović, Budimir; Juranić, Ivan; Cirić-Marjanović, Gordana

2011-04-21

New computational insights into the mechanism of the Boyland-Sims oxidation of arylamines with peroxydisulfate (S(2)O(8)(2-)) in an alkaline aqueous solution are presented. The key role of arylnitrenium cations, in the case of primary and secondary arylamines, and arylamine dications and immonium cations, in the case of tertiary arylamines, in the formation of corresponding o-aminoaryl sulfates, as prevalent soluble products, and oligoarylamines, as prevalent insoluble products, is proposed on the basis of the AM1 and RM1 computational study of the Boyland-Sims oxidation of aniline, ring-substituted (2-methylaniline, 3-methylaniline, 4-methylaniline, 2,6-dimethylaniline, anthranilic acid, 4-aminobenzoic acid, sulfanilic acid, sulfanilamide, 4-phenylaniline, 4-bromoaniline, 3-chloroaniline, and 2-nitroaniline) and N-substituted anilines (N-methylaniline, diphenylamine, and N,N-dimethylaniline). Arylnitrenium cations and sulfate anions (SO(4)(2-)) are generated by rate-determining two-electron oxidation of primary and secondary arylamines with S(2)O(8)(2-), while arylamine dications/immonium cations and SO(4)(2-) are initially formed by two-electron oxidation of tertiary arylamines with S(2)O(8)(2-). The subsequent regioselectivity-determining reaction of arylnitrenium cations/arylamine dications/immonium cations and SO(4)(2-), within the solvent cage, is computationally found to lead to the prevalent formation of o-aminoaryl sulfates. The formation of insoluble precipitates during the Boyland-Sims oxidation of arylamines was also computationally studied.

Multispectral analytical image fusion

International Nuclear Information System (INIS)

Stubbings, T.C.

2000-04-01

With new and advanced analytical imaging methods emerging, the limits of physical analysis capabilities and furthermore of data acquisition quantities are constantly pushed, claiming high demands to the field of scientific data processing and visualisation. Physical analysis methods like Secondary Ion Mass Spectrometry (SIMS) or Auger Electron Spectroscopy (AES) and others are capable of delivering high-resolution multispectral two-dimensional and three-dimensional image data; usually this multispectral data is available in form of n separate image files with each showing one element or other singular aspect of the sample. There is high need for digital image processing methods enabling the analytical scientist, confronted with such amounts of data routinely, to get rapid insight into the composition of the sample examined, to filter the relevant data and to integrate the information of numerous separate multispectral images to get the complete picture. Sophisticated image processing methods like classification and fusion provide possible solution approaches to this challenge. Classification is a treatment by multivariate statistical means in order to extract analytical information. Image fusion on the other hand denotes a process where images obtained from various sensors or at different moments of time are combined together to provide a more complete picture of a scene or object under investigation. Both techniques are important for the task of information extraction and integration and often one technique depends on the other. Therefore overall aim of this thesis is to evaluate the possibilities of both techniques regarding the task of analytical image processing and to find solutions for the integration and condensation of multispectral analytical image data in order to facilitate the interpretation of the enormous amounts of data routinely acquired by modern physical analysis instruments. (author)

Using SIM for strong end-to-end Application Authentication

OpenAIRE

Lunde, Lars; Wangensteen, Audun

2006-01-01

Today the Internet is mostly used for services that require low or none security. The commercial and governmental applications have started to emerge but met problems since they require strong authentication, which is both difficult and costly to realize. The SIM card used in mobile phones is a tamper resistant device that contains strong authentication mechanisms. It would be very convenient and cost-efficient if Internet services could use authentication methods based on the SIM. This mast...

ToF-SIMS and principal component analysis of lipids and amino acids from inflamed and dysplastic human colonic mucosa.

Science.gov (United States)

Urbini, Marco; Petito, Valentina; de Notaristefani, Francesco; Scaldaferri, Franco; Gasbarrini, Antonio; Tortora, Luca

2017-10-01

Here, time of flight secondary ion mass spectrometry (ToF-SIMS) and multivariate analysis were combined to study the role of ulcerative colitis (UC), a type of inflammatory bowel disease (IBD), in the colon cancer progression. ToF-SIMS was used to obtain mass spectra and chemical maps from the mucosal surface of human normal (NC), inflamed (IC), and dysplastic (DC) colon tissues. Chemical mapping with a lateral resolution of ≈ 1 μm allowed to evaluate zonation of fatty acids and amino acids as well as the morphological condition of the intestinal glands. High mass resolution ToF-SIMS spectra showed chemical differences in lipid and amino acid composition as a function of pathological state. In positive ion mode, mono- (MAG), di- (DAG), and triacylglycerol (TAG) signals were detected in NC tissues, while in IC and DC tissues, the only cholesterol was present as lipid class representative. Signals from fatty acids, collected in negative ion mode, were subjected to principal component analysis (PCA). PCA showed a strict correlation between IC and DC samples, due to an increase of stearic, arachidonic, and linoleic acid. In the same way, differences in the amino acid composition were highlighted through multivariate analysis. PCA revealed that glutamic acid, leucine/isoleucine, and valine fragments are related to IC tissues. On the other hand, tyrosine, methionine, and tryptophan peaks contributed highly to the separation of DC tissues. Finally, a classification of NC, IC, and DC patients was also achieved through hierarchical cluster analysis of amino acid fragments. In this case, human colonic inflammation showed a stronger relationship with normal than dysplastic condition. Graphical Abstract ᅟ.

Improving SysSim's Planetary Occurrence Rate Estimates

Science.gov (United States)

Ashby, Keir; Ragozzine, Darin; Hsu, Danley; Ford, Eric B.

2017-10-01

Kepler's catalog of thousands of transiting planet candidates enables statistical characterization of the underlying planet occurrence rates as a function of period and radius. Due to geometric factors and general noise in measurements, we know that many planets--especially those with a small-radius and/or long-period--were not observed by Kepler.To account for Kepler's detection criteria, Hsu et al. 2017 expanded on work in Lissuaer et al. 2011 to develop the Planetary System Simulator or "SysSim". SysSim uses a forward model to generate simulated catalogs of exoplanet systems, determine which of those simulated planets would have been seen by Kepler in the presence of uncertainties, and then compares those “observed planets” to those actually seen by Kepler. It then uses Approximate Bayesian Computation to infer the posterior probability distributions of the input parameters used to generate the forward model. In Hsu et al. 2017, we focused on matching the observed frequency of planets by solving for the underlying occurrence rate for each bin in a 2-dimensional grid of radius and period. After summarizing the results of Hsu et al. 2017, we show new results that investigate the effect on occurrence rates from including more accurate completeness products (from the Kepler DR25 analysis) into SysSim.

Authentication of pineapple (Ananas comosus [L.] Merr.) fruit maturity stages by quantitative analysis of γ- and δ-lactones using headspace solid-phase microextraction and chirospecific gas chromatography-selected ion monitoring mass spectrometry (HS-SPME-GC-SIM-MS).

Science.gov (United States)

Steingass, Christof B; Langen, Johannes; Carle, Reinhold; Schmarr, Hans-Georg

2015-02-01

Headspace solid phase microextraction and chirospecific gas chromatography-mass spectrometry in selected ion monitoring mode (HS-SPME-GC-SIM-MS) allowed quantitative determination of δ-lactones (δ-C8, δ-C10) and γ-lactones (γ-C6, γ-C8, γ-C10). A stable isotope dilution assay (SIDA) with d7-γ-decalactone as internal standard was used for quantitative analysis of pineapple lactones that was performed at three progressing post-harvest stages of fully ripe air-freighted and green-ripe sea-freighted fruits, covering the relevant shelf-life of the fruits. Fresh pineapples harvested at full maturity were characterised by γ-C6 of high enantiomeric purity remaining stable during the whole post-harvest period. In contrast, the enantiomeric purity of γ-C6 significantly decreased during post-harvest storage of sea-freighted pineapples. The biogenetical background and the potential of chirospecific analysis of lactones for authentication and quality evaluation of fresh pineapple fruits are discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.