Sample records for spectroscopic methods examples

  1. Spectroscopic methods in gas hydrate research.

    PubMed

    Rauh, Florian; Mizaikoff, Boris

    2012-01-01

    Gas hydrates are crystalline structures comprising a guest molecule surrounded by a water cage, and are particularly relevant due to their natural occurrence in the deep sea and in permafrost areas. Low molecular weight molecules such as methane and carbon dioxide can be sequestered into that cage at suitable temperatures and pressures, facilitating the transition to the solid phase. While the composition and structure of gas hydrates appear to be well understood, their formation and dissociation mechanisms, along with the dynamics and kinetics associated with those processes, remain ambiguous. In order to take advantage of gas hydrates as an energy resource (e.g., methane hydrate), as a sequestration matrix in (for example) CO(2) storage, or for chemical energy conservation/storage, a more detailed molecular level understanding of their formation and dissociation processes, as well as the chemical, physical, and biological parameters that affect these processes, is required. Spectroscopic techniques appear to be most suitable for analyzing the structures of gas hydrates (sometimes in situ), thus providing access to such information across the electromagnetic spectrum. A variety of spectroscopic methods are currently used in gas hydrate research to determine the composition, structure, cage occupancy, guest molecule position, and binding/formation/dissociation mechanisms of the hydrate. To date, the most commonly applied techniques are Raman spectroscopy and solid-state nuclear magnetic resonance (NMR) spectroscopy. Diffraction methods such as neutron and X-ray diffraction are used to determine gas hydrate structures, and to study lattice expansions. Furthermore, UV-vis spectroscopic techniques and scanning electron microscopy (SEM) have assisted in structural studies of gas hydrates. Most recently, waveguide-coupled mid-infrared spectroscopy in the 3-20 ?m spectral range has demonstrated its value for in situ studies on the formation and dissociation of gas hydrates. This comprehensive review summarizes the importance of spectroscopic analytical techniques to our understanding of the structure and dynamics of gas hydrate systems, and highlights selected examples that illustrate the utility of these individual methods. PMID:22094590

  2. Projector Method: theory and examples

    SciTech Connect

    Dahl, E.D.

    1985-01-01

    The Projector Method technique for numerically analyzing lattice gauge theories was developed to take advantage of certain simplifying features of gauge theory models. Starting from a very general notion of what the Projector Method is, the techniques are applied to several model problems. After these examples have traced the development of the actual algorithm from the general principles of the Projector Method, a direct comparison between the Projector and the Euclidean Monte Carlo is made, followed by a discussion of the application to Periodic Quantum Electrodynamics in two and three spatial dimensions. Some methods for improving the efficiency of the Projector in various circumstances are outlined. 10 refs., 7 figs. (LEW)

  3. Spectroscope

    NSDL National Science Digital Library

    Oakland Discovery Center

    2011-01-01

    In this activity (posted on March 12, 2011), learners follow the steps to construct a spectroscope, a tool used to analyze light and color. First, learners use relatively simple materials to construct the device. Then, learners look through their spectroscopes at a variety of different light sources including incandescents, LEDs, compact fluorescents, sun light, etc. and compare what they observe. This resource includes a few examples of how certain chemicals form different colors of light.

  4. ENERGY CONSERVATION WITH NONSYMPLECTIC METHODS: EXAMPLES AND

    E-print Network

    Hairer, Ernst

    ENERGY CONSERVATION WITH NON­SYMPLECTIC METHODS: EXAMPLES AND COUNTER­EXAMPLES ERWAN FAOU 1 , ERNST. email: Ernst.Hairer@math.unige.ch, Truong­Linh.Pham@math.unige.ch Abstract. Energy conservation into energy conservation with non­ symplectic methods. Su#cient conditions and counter­examples are presented

  5. Spectroscopic Chemical Analysis Methods and Apparatus

    NASA Technical Reports Server (NTRS)

    Hug, William F.; Reid, Ray D.

    2012-01-01

    This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses ballistic electron beam injection directly into the active region of a wide bandgap semiconductor material.

  6. Multivariate analysis methods for spectroscopic blood analysis

    NASA Astrophysics Data System (ADS)

    Wood, Michael F. G.; Rohani, Arash; Ghazalah, Rashid; Vitkin, I. Alex; Pawluczyk, Romuald

    2012-01-01

    Blood tests are an essential tool in clinical medicine with the ability diagnosis or monitor various diseases and conditions; however, the complexities of these measurements currently restrict them to a laboratory setting. P&P Optica has developed and currently produces patented high performance spectrometers and is developing a spectrometer-based system for rapid reagent-free blood analysis. An important aspect of this analysis is the need to extract the analyte specific information from the measured signal such that the analyte concentrations can be determined. To this end, advanced chemometric methods are currently being investigated and have been tested using simulated spectra. A blood plasma model was used to generate Raman, near infrared, and optical rotatory dispersion spectra with glucose as the target analyte. The potential of combined chemometric techniques, where multiple spectroscopy modalities are used in a single regression model to improve the prediction ability was investigated using unfold partial least squares and multiblock partial least squares. Results show improvement in the predictions of glucose levels using the combined methods and demonstrate potential for multiblock chemometrics in spectroscopic blood analysis.

  7. Advances in spectroscopic methods for quantifying soil carbon

    USGS Publications Warehouse

    Reeves, James B., III; McCarty, Gregory W.; Calderon, Francisco; Hively, W. Dean

    2012-01-01

    The current gold standard for soil carbon (C) determination is elemental C analysis using dry combustion. However, this method requires expensive consumables, is limited by the number of samples that can be processed (~100/d), and is restricted to the determination of total carbon. With increased interest in soil C sequestration, faster methods of analysis are needed, and there is growing interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared spectral ranges. These spectral methods can decrease analytical requirements and speed sample processing, be applied to large landscape areas using remote sensing imagery, and be used to predict multiple analytes simultaneously. However, the methods require localized calibrations to establish the relationship between spectral data and reference analytical data, and also have additional, specific problems. For example, remote sensing is capable of scanning entire watersheds for soil carbon content but is limited to the surface layer of tilled soils and may require difficult and extensive field sampling to obtain proper localized calibration reference values. The objective of this chapter is to discuss the present state of spectroscopic methods for determination of soil carbon.

  8. Spectroscope

    NSDL National Science Digital Library

    McDonald Observatory

    2008-01-01

    In this activity, learners construct their own spectroscope as they explore and observe spectra from familiar light sources. Learners can be challenged to make technological improvements to their spectroscopes and/or participate in extension activities that expand their understanding of different kinds of spectra and sharpen their observing skills.

  9. Spectroscopic methods for detection of impurities in water

    Microsoft Academic Search

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

    2011-01-01

    Optical photoluminescence spectroscopic method for detection of impurities, hazardous materials, pesticides, and pollutants in water resources, both qualitatively and quantitatively, is presented. The method is based on synchronous fluorescence spectroscopy (SFS) of organic aromatic compounds, or poly-aromatic hydrocarbons (PAH), and is carried out by following simultaneously their excitation and emission spectra. The full excitation emission matrix (EEM) generated in this

  10. Role of optical spectroscopic methods in neuro-oncological sciences.

    PubMed

    Bahreini, Maryam

    2015-01-01

    In the surgical treatment of malignant tumors, it is crucial to characterize the tumor as precisely as possible. The determination of the exact tumor location as well as the analysis of its properties is very important in order to obtain an accurate diagnosis as early as possible. In neurosurgical applications, the optical, non-invasive and in situ techniques allow for the label-free analysis of tissue, which is helpful in neuropathology. In the past decades, optical spectroscopic methods have been investigated drastically in the management of cancer. In the optical spectroscopic techniques, tissue interrogate with sources of light which are ranged from the ultraviolet to the infrared wavelength in the spectrum. The information accumulation of light can be in a reflection which is named reflectance spectroscopy; or interactions with tissue at different wavelengths which are called fluorescence and Raman spectroscopy. This review paper introduces the optical spectroscopic methods which are used to characterize brain tumors (neuro-oncology). Based on biochemical information obtained from these spectroscopic methods, it is possible to identify tumor from normal brain tissues, to indicate tumor margins, the borders towards normal brain tissue and infiltrating gliomas, to distinguish radiation damage of tissues, to detect particular central nervous system (CNS) structures to identify cell types using particular neurotransmitters, to detect cells or drugs which are optically labeled within therapeutic intermediations and to estimate the viability of tissue and the prediction of apoptosis beginning in vitro and in vivo. The label-free, optical biochemical spectroscopic methods can provide clinically relevant information and need to be further exploited to develop a safe and easy-to-use technology for in situ diagnosis of malignant tumors. PMID:25987969

  11. Spectroscopic studies of protein folding: Linear and nonlinear methods

    PubMed Central

    Serrano, Arnaldo L; Waegele, Matthias M; Gai, Feng

    2012-01-01

    Although protein folding is a simple outcome of the underlying thermodynamics, arriving at a quantitative and predictive understanding of how proteins fold nevertheless poses huge challenges. Therefore, both advanced experimental and computational methods are continuously being developed and refined to probe and reveal the atomistic details of protein folding dynamics and mechanisms. Herein, we provide a concise review of recent developments in spectroscopic studies of protein folding, with a focus on new triggering and probing methods. In particular, we describe several laser-based techniques for triggering protein folding/unfolding on the picosecond and/or nanosecond timescales and various linear and nonlinear spectroscopic techniques for interrogating protein conformations, conformational transitions, and dynamics. PMID:22109973

  12. Spectroscopic methods for detection of impurities in water

    NASA Astrophysics Data System (ADS)

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

    2011-11-01

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

  13. Alternative methods for environmental assessment: An example

    Microsoft Academic Search

    Steven Kaye; Edison J. Trickett; Donald M. Quinlan

    1976-01-01

    Three different methods of assessing the environment of the high school classroom were compared in terms of the classroom dimensions of teacher support for students and teacher control of students. These methods included the shared perception of the environmenSt b Z students, assessed by the Classroom Environment Scale (CES), ratings by outside observers, and a content analysis of teacher-student verbal

  14. Experimental Mathemataics: Examples, Methods andImplications

    SciTech Connect

    Bailey, David H.; Borwein, Jonathan M.

    2005-01-31

    Recent years have seen the flowering of ''experimental'' mathematics, namely the utilization of modern computer technology as an active tool in mathematical research. This development is not limited to a handful of researchers, nor to a handful of universities, nor is it limited to one particular field of mathematics. Instead, it involves hundreds of individuals, at many different institutions, who have turned to the remarkable new computational tools now available to assist in their research, whether it be in number theory, algebra, analysis, geometry or even topology. These tools are being used to work out specific examples, generate plots, perform various algebraic and calculus manipulations, test conjectures, and explore routes to formal proof. Using computer tools to test conjectures is by itself a major time saver for mathematicians, as it permits them to quickly rule out false notions.

  15. Comparison of MDO methods with mathematical examples

    Microsoft Academic Search

    S. I. Yi; J. K. Shin; G. J. Park

    2008-01-01

    Recently, engineering systems are quite large and complicated. The design requirements are fairly complex and it is not easy\\u000a to satisfy them by considering only one discipline. Therefore, a design methodology that can consider various disciplines\\u000a is needed. Multidisciplinary design optimization (MDO) is an emerging optimization method that considers a design environment\\u000a with multiple disciplines. Seven methods have been proposed

  16. Scanning Tunneling Microscopy methods for spectroscopic imaging of subsurface interfaces

    NASA Technical Reports Server (NTRS)

    Bell, L. D.; Kaiser, W. J.

    1988-01-01

    A new method for spatially-resolved, spectroscopic investigation of subsurface interface structure has been developed. The method, Ballistic Electron Emission Microscopy (BEEM), is based on Scanning Tunneling Microscopy (STM) techniques. BEEM combines STM vacuum tunneling with unique ballistic electron spectroscopy capabilities. BEEM enables, for the first time, direct imaging of subsurface interface electronic properties with nanometer spatial resolution. STM topographic images of surface structure and BEEM images of subsurface properties are obtained simultaneously. BEEM capabilities are demonstrated by investigation of important metal-semiconductor interfaces.

  17. Mixed Methods Sampling: A Typology with Examples

    ERIC Educational Resources Information Center

    Teddlie, Charles; Yu, Fen

    2007-01-01

    This article presents a discussion of mixed methods (MM) sampling techniques. MM sampling involves combining well-established qualitative and quantitative techniques in creative ways to answer research questions posed by MM research designs. Several issues germane to MM sampling are presented including the differences between probability and…

  18. Spectroscopic Methods of Remote Sensing for Vegetation Characterization

    NASA Astrophysics Data System (ADS)

    Kokaly, R. F.

    2013-12-01

    Imaging spectroscopy (IS), often referred to as hyperspectral remote sensing, is one of the latest innovations in a very long history of spectroscopy. Spectroscopic methods have been used for understanding the composition of the world around us, as well as, the solar system and distant parts of the universe. Continuous sampling of the electromagnetic spectrum in narrow bands is what separates IS from previous forms of remote sensing. Terrestrial imaging spectrometers often have hundreds of channels that cover the wavelength range of reflected solar radiation, including the visible, near-infrared (NIR), and shortwave infrared (SWIR) regions. In part due to the large number of channels, a wide variety of methods have been applied to extract information from IS data sets. These can be grouped into several broad classes, including: multi-channel indices, statistical procedures, full spectrum mixing models, and spectroscopic methods. Spectroscopic methods carry on the more than 150 year history of laboratory-based spectroscopy applied to material identification and characterization. Spectroscopic methods of IS relate the positions and shapes of spectral features resolved by airborne and spaceborne sensors to the biochemical and physical composition of vegetation in a pixel. The chlorophyll 680nm, water 980nm, water 1200nm, SWIR 1700nm, SWIR 2100nm, and SWIR 2300nm features have been the subject of study. Spectral feature analysis (SFA) involves isolating such an absorption feature using continuum removal (CR) and calculating descriptors of the feature, such as center position, depth, width, area, and asymmetry. SFA has been applied to quantify pigment and non-pigment biochemical concentrations in leaves, plants, and canopies. Spectral feature comparison (SFC) utilizes CR of features in each pixel's spectrum and linear regression with continuum-removed features in reference spectra in a library of known vegetation types to map vegetation species and communities. SFC has been applied to map the distributions of minerals in soils and rocks; however, its application to characterize vegetation cover has been less widespread than SFA. Using IS data and the USGS Processing Routines in IDL for Spectroscopic Measurements (PRISM; http://pubs.usgs.gov/of/2011/1155/), this talk will examine requirements for and limitations in applying SFA and SFC to characterize vegetation. A time series of Airborne Visible/InfraRed Imaging Spectrometer (AVIRIS) data collected in the marshes of Louisiana following the Deepwater Horizon oil spill will be used to examine the impact of varying leaf water content on the shapes of the SWIR 1700, 2100, and 2300 nm features and the implications of these changes on vegetation identification and biochemical estimation. The USGS collection of HyMap data over Afghanistan, the largest terrestrial coverage of IS data to date, will be used to demonstrate the characterization of vegetation in arid and semi-arid regions, in which chlorophyll absorption is often weak and soil and rock mineral absorption features overlap vegetation features. Hyperion data, overlapping the HyMap data, will be presented to illustrate the complications that arise when signal-to-noise is low. The benefits of and challenges to applying a spectroscopic remote sensing approach to imaging spectrometer data will be discussed.

  19. Can the electronegativity equalization method predict spectroscopic properties?

    PubMed

    Verstraelen, T; Bultinck, P

    2015-02-01

    The electronegativity equalization method is classically used as a method allowing the fast generation of atomic charges using a set of calibrated parameters and provided knowledge of the molecular structure. Recently, it has started being used for the calculation of other reactivity descriptors and for the development of polarizable and reactive force fields. For such applications, it is of interest to know whether the method, through the inclusion of the molecular geometry in the Taylor expansion of the energy, would also allow sufficiently accurate predictions of spectroscopic data. In this work, relevant quantities for IR spectroscopy are considered, namely the dipole derivatives and the Cartesian Hessian. Despite careful calibration of parameters for this specific task, it is shown that the current models yield insufficiently accurate results. PMID:24290357

  20. An Alternative Example of the Method of Multiple Scales

    Microsoft Academic Search

    D. A. Edwards

    2000-01-01

    An alternative example of the method of multiple scales is presented. This example arises in the study of the classical heat equation with a slowly varying flux imposed at one end. The module presents introductory ideas about dimensionless variables, multiple-scale ex- pansions, and scaling of the dependent variable. The necessarily obfuscating algebraic computation is less than that for more familiar

  1. Aggregation numbers and microstructure characterization of self-assembled aggregates of poly(ethylene oxide) surfactants and related block-copolymers, studied by spectroscopic methods

    Microsoft Academic Search

    Marilena Vasilescu; Agneta Caragheorgheopol; Horia Caldararu

    2001-01-01

    This review presents typical examples of micellar size measurements and structural characterization of self-assembled systems as determined with spectroscopic methods, selected from our representative results accumulated in recent years of systematic studies. The choice of examples has aimed at emphasizing the potentiality of the methods used in the study of poly(ethylene oxide) (PEO) surfactants. By using the time-resolved fluorescence quenching

  2. Computation of Spectroscopic Factors with the Coupled-Cluster Method

    SciTech Connect

    Jensen, O. [University of Bergen, Bergen, Norway; Hagen, Gaute [ORNL; Papenbrock, T. [University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL); Dean, David Jarvis [ORNL; Vaagen, J. S. [University of Bergen, Bergen, Norway

    2010-01-01

    We present a calculation of spectroscopic factors within coupled-cluster theory. Our derivation of algebraic equations for the one-body overlap functions are based on coupled-cluster equation-of-motion solutions for the ground and excited states of the doubly magic nucleus with mass number A and the odd-mass neighbor with mass A-1. As a proof-of-principle calculation, we consider ^{16}O and the odd neighbors ^{15}O and ^{15}N, and compute the spectroscopic factor for nucleon removal from ^{16}O. We employ a renormalized low-momentum interaction of the V_{low-k} type derived from a chiral interaction at next-to-next-to-next-to-leading order. We study the sensitivity of our results by variation of the momentum cutoff, and then discuss the treatment of the center of mass.

  3. Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer.

    PubMed

    Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J; Salavastru, Carmen; Antoniou, Christina

    2013-06-01

    The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC. PMID:23748702

  4. Spectroscopic methods for the photodiagnosis of nonmelanoma skin cancer.

    PubMed

    Drakaki, Eleni; Vergou, Theognosia; Dessinioti, Clio; Stratigos, Alexander J; Salavastru, Carmen; Antoniou, Christina

    2013-06-01

    The importance of dermatological noninvasive imaging techniques has increased over the last decades, aiming at diagnosing nonmelanoma skin cancer (NMSC). Technological progress has led to the development of various analytical tools, enabling the in vivo/in vitro examination of lesional human skin with the aim to increase diagnostic accuracy and decrease morbidity and mortality. The structure of the skin layers, their chemical composition, and the distribution of their compounds permits the noninvasive photodiagnosis of skin diseases, such as skin cancers, especially for early stages of malignant tumors. An important role in the dermatological diagnosis and disease monitoring has been shown for promising spectroscopic and imaging techniques, such as fluorescence, diffuse reflectance, Raman and near-infrared spectroscopy, optical coherence tomography, and confocal laser-scanning microscopy. We review the use of these spectroscopic techniques as noninvasive tools for the photodiagnosis of NMSC. PMID:23264965

  5. Denoising spectroscopic data by means of the improved least-squares deconvolution method

    NASA Astrophysics Data System (ADS)

    Tkachenko, A.; Van Reeth, T.; Tsymbal, V.; Aerts, C.; Kochukhov, O.; Debosscher, J.

    2013-12-01

    Context. The MOST, CoRoT, and Kepler space missions have led to the discovery of a large number of intriguing, and in some cases unique, objects among which are pulsating stars, stars hosting exoplanets, binaries, etc. Although the space missions have delivered photometric data of unprecedented quality, these data are lacking any spectral information and we are still in need of ground-based spectroscopic and/or multicolour photometric follow-up observations for a solid interpretation. Aims: The faintness of most of the observed stars and the required high signal-to-noise ratio (S/N) of spectroscopic data both imply the need to use large telescopes, access to which is limited. In this paper, we look for an alternative, and aim for the development of a technique that allows the denoising of the originally low S/N (typically, below 80) spectroscopic data, making observations of faint targets with small telescopes possible and effective. Methods: We present a generalization of the original least-squares deconvolution (LSD) method by implementing a multicomponent average profile and a line strengths correction algorithm. We tested the method on simulated and real spectra of single and binary stars, among which are two intrinsically variable objects. Results: The method was successfully tested on the high-resolution spectra of Vega and a Kepler star, KIC 04749989. Application to the two pulsating stars, 20 Cvn and HD 189631, showed that the technique is also applicable to intrinsically variable stars: the results of frequency analysis and mode identification from the LSD model spectra for both objects are in good agreement with the findings from literature. Depending on the S/N of the original data and spectral characteristics of a star, the gain in S/N in the LSD model spectrum typically ranges from 5 to 15 times. Conclusions: The technique introduced in this paper allows an effective denoising of the originally low S/N spectroscopic data. The high S/N spectra obtained this way can be used to determine fundamental parameters and chemical composition of the stars. The restored LSD model spectra contain all the information on line profile variations present in the original spectra of pulsating stars, for example. The method is applicable to both high- (>30 000) and low- (<30 000) resolution spectra, although the information that can be extracted from the latter is limited by the resolving power itself. Based on the data gathered with the hermes spectrograph, installed at the Mercator Telescope, operated on the island of La Palma by the Flemish Community, at the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofísica de Canarias and supported by the Fund for Scientific Research of Flanders (FWO), Belgium, the Research Council of K.U. Leuven, Belgium, the Fonds National de la Recherche Scientifique (F.R.S.-FNRS), Belgium, the Royal Observatory of Belgium, the Observatoire de Genève, Switzerland, and the Thüringer Landessternwarte Tautenburg, Germany.Based on the data extracted from the ELODIE archive and the ESO Science Archive Facility under request number TVanReeth63233.The software presented in this work is available upon request from: Andrew.Tkachenko@ster.kuleuven.be

  6. Landscape planning: A method applied to a growth management example

    NASA Astrophysics Data System (ADS)

    Steiner, Frederick

    1991-07-01

    This article is the first in a series of three. These articles were prepared to document the growth management process undertaken in Teller County, Colorado, USA. In this article, an 11-step method for landscape planning is proposed. In step 1, an issue, or set of related issues, is identified as posing a problem and/or opportunity to people and/or the environment. In step 2, a goal, or several goals, is established to address the problem or opportunity. In steps 3 and 4, inventories and analyses of biophysical and sociocultural processes are conducted, first at the regional level and then at the local level. Step 5 involves detailed studies (such as suitability analyses) that link the inventory and analysis information to the problems or opportunities and goals. Detailed studies link regional and local information to specific sites. Thus, this method involves a regional-local-specific site hierarchy. In step 6, concepts are developed that lead to a landscape plan in step 7. During step 8, the plan is explained through a systematic educational and citizen involvement effort to the affected public. In step 9, detailed designs are developed that again are explained to the specific individuals who will be impacted by the designs. It is in step 10 when the plan and designs are implemented. Step 11 involves the administration of the plan. The method is illustrated through an example of growth management planning for Teller County and the city of Woodland Park, Colorado.

  7. Using Crowdsourcing to Evaluate Published Scientific Literature: Methods and Example

    PubMed Central

    Brown, Andrew W.; Allison, David B.

    2014-01-01

    Systematically evaluating scientific literature is a time consuming endeavor that requires hours of coding and rating. Here, we describe a method to distribute these tasks across a large group through online crowdsourcing. Using Amazon's Mechanical Turk, crowdsourced workers (microworkers) completed four groups of tasks to evaluate the question, “Do nutrition-obesity studies with conclusions concordant with popular opinion receive more attention in the scientific community than do those that are discordant?” 1) Microworkers who passed a qualification test (19% passed) evaluated abstracts to determine if they were about human studies investigating nutrition and obesity. Agreement between the first two raters' conclusions was moderate (??=?0.586), with consensus being reached in 96% of abstracts. 2) Microworkers iteratively synthesized free-text answers describing the studied foods into one coherent term. Approximately 84% of foods were agreed upon, with only 4 and 8% of ratings failing manual review in different steps. 3) Microworkers were asked to rate the perceived obesogenicity of the synthesized food terms. Over 99% of responses were complete and usable, and opinions of the microworkers qualitatively matched the authors' expert expectations (e.g., sugar-sweetened beverages were thought to cause obesity and fruits and vegetables were thought to prevent obesity). 4) Microworkers extracted citation counts for each paper through Google Scholar. Microworkers reached consensus or unanimous agreement for all successful searches. To answer the example question, data were aggregated and analyzed, and showed no significant association between popular opinion and attention the paper received as measured by Scimago Journal Rank and citation counts. Direct microworker costs totaled $221.75, (estimated cost at minimum wage: $312.61). We discuss important points to consider to ensure good quality control and appropriate pay for microworkers. With good reliability and low cost, crowdsourcing has potential to evaluate published literature in a cost-effective, quick, and reliable manner using existing, easily accessible resources. PMID:24988466

  8. Differences of Phosphorus in Mehlich 3 Extracts Determined by Colorimetric and Spectroscopic Methods

    Microsoft Academic Search

    J. J. Pittman; H. Zhang; J. L. Schroder; M. E. Payton

    2005-01-01

    Mehlich 3 (M3) is a widely used extractant for evaluating plant available phosphorus (P) in soils and may be quantified using colorimetric or inductively coupled plasma (ICP) spectroscopic methods. Analysis by ICP has recently become increasingly popular in soil?testing labs primarily due to its ability to simultaneously measure multiple elements. Despite the versatility and efficiency of ICP, some laboratories hesitate

  9. In vivo Evaluation of the Penetration of Topically Applied Drugs into Human Skin by Spectroscopic Methods

    Microsoft Academic Search

    Bernd Sennhenn; Karl Giese; Karsten Plamann; Norbert Harendt; Klaus Kölmel

    1993-01-01

    Spectroscopic techniques are reported on which allow to study in vivo the penetration behaviour of topically applied light-absorbing drugs into human skin. Remittance specroscopy, a purely optical method, provides a good tool in both, skin adaptation by use of a remote viewing head coupled to the spectrometer via optical fibres, and adequate sensitivity for the detection of small amounts of

  10. SPECTROSCOPIC METHODS FOR THE DETERMINATION OF SOIL CARBON

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Traditional methods for the determination of soil C content include chromate oxidation and combustion. Chromate oxidation generates hazardous waste and does not accurately determine all the organic soil C. Combustion methods while generating little in the way of wastes require two determinations t...

  11. Advances of vibrational spectroscopic methods in phytomics and bioanalysis.

    PubMed

    Huck, Christian W

    2014-01-01

    During the last couple of years great advances in vibrational spectroscopy including near-infrared (NIR), mid-infrared (MIR), attenuated total reflection (ATR) and imaging and also mapping techniques could be achieved. On the other hand spectral treatment features have improved dramatically allowing filtering out relevant information from spectral data much more efficiently and providing new insights into the biochemical composition. These advances offer new possible quality control strategies in phytomics and enable to get deeper insights into biochemical background in terms of medicinal relevant questions. It is the aim of the present article pointing out the technical and methodological advancements in the NIR and MIR field and to demonstrate the individual methods efficiency by discussing distinct selected applications. PMID:23787354

  12. Quantitative comparison of analysis methods for spectroscopic optical coherence tomography: reply to comment

    PubMed Central

    Bosschaart, Nienke; van Leeuwen, Ton G.; Aalders, Maurice C.G.; Faber, Dirk J.

    2014-01-01

    We reply to the comment by Kraszewski et al on “Quantitative comparison of analysis methods for spectroscopic optical coherence tomography.” We present additional simulations evaluating the proposed window function. We conclude that our simulations show good qualitative agreement with the results of Kraszewski, in support of their conclusion that SOCT optimization should include window shape, next to choice of window size and analysis algorithm. PMID:25401016

  13. Methods for trend analysis: Examples with problem/failure data

    NASA Technical Reports Server (NTRS)

    Church, Curtis K.

    1989-01-01

    Statistics are emphasized as an important role in quality control and reliability. Consequently, Trend Analysis Techniques recommended a variety of statistical methodologies that could be applied to time series data. The major goal of the working handbook, using data from the MSFC Problem Assessment System, is to illustrate some of the techniques in the NASA standard, some different techniques, and to notice patterns of data. Techniques for trend estimation used are: regression (exponential, power, reciprocal, straight line) and Kendall's rank correlation coefficient. The important details of a statistical strategy for estimating a trend component are covered in the examples. However, careful analysis and interpretation is necessary because of small samples and frequent zero problem reports in a given time period. Further investigations to deal with these issues are being conducted.

  14. Conceptual evaluation of population health surveillance programs: method and example.

    PubMed

    El Allaki, Farouk; Bigras-Poulin, Michel; Ravel, André

    2013-03-01

    Veterinary and public health surveillance programs can be evaluated to assess and improve the planning, implementation and effectiveness of these programs. Guidelines, protocols and methods have been developed for such evaluation. In general, they focus on a limited set of attributes (e.g., sensitivity and simplicity), that are assessed quantitatively whenever possible, otherwise qualitatively. Despite efforts at standardization, replication by different evaluators is difficult, making evaluation outcomes open to interpretation. This ultimately limits the usefulness of surveillance evaluations. At the same time, the growing demand to prove freedom from disease or pathogen, and the Sanitary and Phytosanitary Agreement and the International Health Regulations require stronger surveillance programs. We developed a method for evaluating veterinary and public health surveillance programs that is detailed, structured, transparent and based on surveillance concepts that are part of all types of surveillance programs. The proposed conceptual evaluation method comprises four steps: (1) text analysis, (2) extraction of the surveillance conceptual model, (3) comparison of the extracted surveillance conceptual model to a theoretical standard, and (4) validation interview with a surveillance program designer. This conceptual evaluation method was applied in 2005 to C-EnterNet, a new Canadian zoonotic disease surveillance program that encompasses laboratory based surveillance of enteric diseases in humans and active surveillance of the pathogens in food, water, and livestock. The theoretical standard used for evaluating C-EnterNet was a relevant existing structure called the "Population Health Surveillance Theory". Five out of 152 surveillance concepts were absent in the design of C-EnterNet. However, all of the surveillance concept relationships found in C-EnterNet were valid. The proposed method can be used to improve the design and documentation of surveillance programs. It complements existing surveillance evaluation methods. Conceptual evaluation is not a performance-oriented evaluation method and so it is particularly useful for surveillance programs with a valid conceptual framework but limited technical capacity and resources. Such programs would be penalized using existing performance-based evaluation methods. Applying conjointly the conceptual evaluation along with existing performance-oriented evaluation methods will better judge the worth of surveillance programs. We recommend developing a comprehensive surveillance evaluation framework for veterinary and public health surveillance programs that integrates all existing surveillance evaluation tools and provides an appropriate way to evaluate various types of surveillance programs. PMID:23174216

  15. Application of Spectroscopic Methods for Structural Analysis of Chitin and Chitosan

    PubMed Central

    Kumirska, Jolanta; Czerwicka, Ma?gorzata; Kaczy?ski, Zbigniew; Bychowska, Anna; Brzozowski, Krzysztof; Thöming, Jorg; Stepnowski, Piotr

    2010-01-01

    Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds. PMID:20559489

  16. Application of spectroscopic methods for structural analysis of chitin and chitosan.

    PubMed

    Kumirska, Jolanta; Czerwicka, Ma?gorzata; Kaczy?ski, Zbigniew; Bychowska, Anna; Brzozowski, Krzysztof; Thöming, Jorg; Stepnowski, Piotr

    2010-01-01

    Chitin, the second most important natural polymer in the world, and its N-deacetylated derivative chitosan, have been identified as versatile biopolymers for a broad range of applications in medicine, agriculture and the food industry. Two of the main reasons for this are firstly the unique chemical, physicochemical and biological properties of chitin and chitosan, and secondly the unlimited supply of raw materials for their production. These polymers exhibit widely differing physicochemical properties depending on the chitin source and the conditions of chitosan production. The presence of reactive functional groups as well as the polysaccharide nature of these biopolymers enables them to undergo diverse chemical modifications. A complete chemical and physicochemical characterization of chitin, chitosan and their derivatives is not possible without using spectroscopic techniques. This review focuses on the application of spectroscopic methods for the structural analysis of these compounds. PMID:20559489

  17. Structures and Encapsulation Motifs of Functional Molecules Probed by Laser Spectroscopic and Theoretical Methods

    PubMed Central

    Kusaka, Ryoji; Inokuchi, Yoshiya; Xantheas, Sotiris S.; Ebata, Takayuki

    2010-01-01

    We report laser spectroscopic and computational studies of host/guest hydration interactions between functional molecules (hosts) and water (guest) in supersonic jets. The examined hosts include dibenzo-18-crown-6-ether (DB18C6), benzo-18-crown-6-ether (B18C6) and calix[4]arene (C4A). The gaseous complexes between the functional molecular hosts and water are generated under jet-cooled conditions. Various laser spectroscopic methods are applied for these species: the electronic spectra are observed by laser-induced fluorescence (LIF), mass-selected resonance enhanced multiphoton ionization (REMPI) and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy, whereas the vibrational spectra for each individual species are observed by infrared-ultraviolet double resonance (IR-UV DR) spectroscopy. The obained results are analyzed by first principles electronic structure calculations. We discuss the conformations of the host molecules, the structures of the complexes, and key interactions forming the specific complexes. PMID:22319310

  18. The Erosion of a Method: Examples from Grounded Theory

    ERIC Educational Resources Information Center

    Greckhamer, Thomas; Koro-Ljungberg, Mirka

    2005-01-01

    Since its original inception in the 1960s grounded theory has been widely used by many qualitative researchers. However, recently epistemologically different versions of grounded theory have been presented and this epistemological diversity among grounded theorists and the erosion of the method will be the major focus of this paper. The first…

  19. Computer Controlled Oral Test Administration: A Method and Example.

    ERIC Educational Resources Information Center

    Milligan, W. Lloyd

    1978-01-01

    A computer/tape recorder interface was designed, which permits automatic oral adminstration of "true-false" or "multiple-choice" type tests. This paper describes the hardware and control program software, which were developed to implement the method on a DEC PDP 11 computer. (Author/JKS)

  20. Simple examples for the failure of Newton's method with line search for strictly convex minimization

    E-print Network

    Toint, Philippe

    Simple examples for the failure of Newton's method with line search for strictly convex://www.unamur.be/sciences/naxys #12;Simple examples for the failure of Newton's method with line search for strictly convex are presented for which Newton's method with line search converges to a point where the gradient of f

  1. Landscape planning: A method applied to a growth management example

    Microsoft Academic Search

    Frederick Steiner

    1991-01-01

    This article is the first in a series of three. These articles were prepared to document the growth management process undertaken\\u000a in Teller County, Colorado, USA. In this article, an 11-step method for landscape planning is proposed. In step 1, an issue,\\u000a or set of related issues, is identified as posing a problem and\\/or opportunity to people and\\/or the environment.

  2. Weighted partial least squares method to improve calibration precision for spectroscopic noise-limited data

    SciTech Connect

    Haaland, D.M.; Jones, H.D.T.

    1997-09-01

    Multivariate calibration methods have been applied extensively to the quantitative analysis of Fourier transform infrared (FT-IR) spectral data. Partial least squares (PLS) methods have become the most widely used multivariate method for quantitative spectroscopic analyses. Most often these methods are limited by model error or the accuracy or precision of the reference methods. However, in some cases, the precision of the quantitative analysis is limited by the noise in the spectroscopic signal. In these situations, the precision of the PLS calibrations and predictions can be improved by the incorporation of weighting in the PLS algorithm. If the spectral noise of the system is known (e.g., in the case of detector-noise-limited cases), then appropriate weighting can be incorporated into the multivariate spectral calibrations and predictions. A weighted PLS (WPLS) algorithm was developed to improve the precision of the analysis in the case of spectral-noise-limited data. This new PLS algorithm was then tested with real and simulated data, and the results compared with the unweighted PLS algorithm. Using near-infrared (NIR) calibration precision when the WPLS algorithm was applied. The best WPLS method improved prediction precision for the analysis of one of the minor components by a factor of nearly 9 relative to the unweighted PLS algorithm.

  3. Denoising spectroscopic data by means of the improved Least-Squares Deconvolution method

    E-print Network

    Tkachenko, A; Tsymbal, V; Aerts, C; Kochukhov, O; Debosscher, J

    2013-01-01

    The MOST, CoRoT, and Kepler space missions led to the discovery of a large number of intriguing, and in some cases unique, objects among which are pulsating stars, stars hosting exoplanets, binaries, etc. Although the space missions deliver photometric data of unprecedented quality, these data are lacking any spectral information and we are still in need of ground-based spectroscopic and/or multicolour photometric follow-up observations for a solid interpretation. Both faintness of most of the observed stars and the required high S/N of spectroscopic data imply the need of using large telescopes, access to which is limited. In this paper, we look for an alternative, and aim for the development of a technique allowing to denoise the originally low S/N spectroscopic data, making observations of faint targets with small telescopes possible and effective. We present a generalization of the original Least-Squares Deconvolution (LSD) method by implementing a multicomponent average profile and a line strengths corre...

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

    NASA Astrophysics Data System (ADS)

    Gupta, Lokesh Kumar

    2012-11-01

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

  5. A comparison of microscopic and spectroscopic identification methods for analysis of microplastics in environmental samples.

    PubMed

    Song, Young Kyoung; Hong, Sang Hee; Jang, Mi; Han, Gi Myung; Rani, Manviri; Lee, Jongmyoung; Shim, Won Joon

    2015-04-15

    The analysis of microplastics in various environmental samples requires the identification of microplastics from natural materials. The identification technique lacks a standardized protocol. Herein, stereomicroscope and Fourier transform infrared spectroscope (FT-IR) identification methods for microplastics (<1mm) were compared using the same samples from the sea surface microlayer (SML) and beach sand. Fragmented microplastics were significantly (p<0.05) underestimated and fiber was significantly overestimated using the stereomicroscope both in the SML and beach samples. The total abundance by FT-IR was higher than by microscope both in the SML and beach samples, but they were not significantly (p>0.05) different. Depending on the number of samples and the microplastic size range of interest, the appropriate identification method should be determined; selecting a suitable identification method for microplastics is crucial for evaluating microplastic pollution. PMID:25682567

  6. Detailed spectroscopic analysis of SN 1987A: The distance to the LMC using the SEAM method

    SciTech Connect

    Mitchell, Robert C.; Baron, E.; Branch, David; Hauschildt, Peter H.; Nugent, Peter E.; Lundqvist, Peter; Blinnikov, Sergei; Pun, Chun S.J.

    2002-05-21

    Supernova 1987A remains the most well-studied supernova to date. Observations produced excellent broad-band photometric and spectroscopic coverage over a wide wavelength range at all epochs. We model the observed spectra from Day 1 to Day 81 using a hydrodynamical model. We show that good agreement can be obtained at times up to about 60 days, if we allow for extended nickel mixing. Later than about 60 days the observed Balmer lines become stronger than our models can reproduce. We show that this is likely due to a more complicated distribution of gamma-rays than we allow for in our spherically symmetric calculations. We present synthetic light curves in UBVRIJHK and a synthetic bolometric light curve. Using this broad baseline of detailed spectroscopic models we find a distance modulus mu = 18.5 +/- 0.2 using the SEAM method of determining distances to supernovae. We find that the explosion time agrees with that of the neutrino burst and is constrained at 68 percent confidence to within +/- 0.9 days. We argue that the weak Balmer lines of our detailed model calculations casts doubt on the accuracy of the purely photometric EPM method. We also suggest that Type IIP supernovae will be most useful as distance indicators at early times due to a variety of effects.

  7. Novel spectroscopic methods for determination of Cromolyn sodium and Oxymetazoline hydrochloride in binary mixture

    NASA Astrophysics Data System (ADS)

    Abdel-Aziz, Omar; El-Kosasy, A. M.; Magdy, N.; El Zahar, N. M.

    2014-10-01

    New accurate, sensitive and selective spectrophotometric and spectrofluorimetric methods were developed and subsequently validated for determination of Cromolyn sodium (CS) and Oxymetazoline HCl (OXY) in binary mixture. These methods include ‘H-point standard addition method (HPSAM) and area under the curve (AUC)' spectrophotometric method and first derivative synchronous fluorescence spectroscopic (FDSFS) method. For spectrophotometric methods, absorbances were recorded at 241.5 nm and 274.9 nm for HPSAM and the wavelength was selected in ranges 232.0-254.0 nm and 216.0-229.0 nm for AUC method, where the concentration was obtained by applying Cramer's rule. For FDSFS method, the first-derivative synchronous fluorescence signal was measured at 290.0 nm, using ?? = 145.0 nm. The suggested methods were validated according to International Conference of Harmonization (ICH) guidelines and the results revealed that they were precise and reproducible. All the obtained results were statistically compared with those of the reported method and there was no significant difference.

  8. Laser apparatus and method for microscopic and spectroscopic analysis and processing of biological cells

    DOEpatents

    Gourley, Paul L. (12508 Loyola, NE., Albuquerque, NM 87112); Gourley, Mark F. (7509 Spring Lake Dr., Apt. B1, Bethesda, MD 20817)

    1997-01-01

    An apparatus and method for microscopic and spectroscopic analysis and processing of biological cells. The apparatus comprises a laser having an analysis region within the laser cavity for containing one or more biological cells to be analyzed. The presence of a cell within the analysis region in superposition with an activated portion of a gain medium of the laser acts to encode information about the cell upon the laser beam, the cell information being recoverable by an analysis means that preferably includes an array photodetector such as a CCD camera and a spectrometer. The apparatus and method may be used to analyze biomedical cells including blood cells and the like, and may include processing means for manipulating, sorting, or eradicating cells after analysis thereof.

  9. Laser apparatus and method for microscopic and spectroscopic analysis and processing of biological cells

    DOEpatents

    Gourley, P.L.; Gourley, M.F.

    1997-03-04

    An apparatus and method are disclosed for microscopic and spectroscopic analysis and processing of biological cells. The apparatus comprises a laser having an analysis region within the laser cavity for containing one or more biological cells to be analyzed. The presence of a cell within the analysis region in superposition with an activated portion of a gain medium of the laser acts to encode information about the cell upon the laser beam, the cell information being recoverable by an analysis means that preferably includes an array photodetector such as a CCD camera and a spectrometer. The apparatus and method may be used to analyze biomedical cells including blood cells and the like, and may include processing means for manipulating, sorting, or eradicating cells after analysis. 20 figs.

  10. Spectroscopic and molecular structure investigations of 9-vinylcarbazole by DFT and ab initio method

    NASA Astrophysics Data System (ADS)

    Jone Pradeepa, S.; Sundaraganesan, N.

    2015-02-01

    Fourier transform infrared (FT-IR) and FT-Raman spectra have been recorded and widespread spectroscopic investigations have been carried out on 9-vinylcarbazole (9VC). The optimized geometries, vibrational wavenumbers, intensity of vibrational bands and various atomic charges of 9VC have been investigated using Hartree-Fock (HF) and density functional theory (DFT-B3LYP) method using 6-31G(d,p) as basis set. Experimental fundamental vibrational modes are scrutinized and compared with the calculated results. 13C and 1H NMR spectra were recorded and the chemical shifts of the molecule have been computed using GIAO method. The nonlinear property of the title compound was confirmed by hyperpolarizability. Molecular stability and bond strength was analyzed by Natural Bond Orbital analysis. Electronic structure properties such as UV and frontier molecular orbital examination have been reported.

  11. Methods and Example Case Study for Analysis of Variability and Uncertainty in

    E-print Network

    Frey, H. Christopher

    Methods and Example Case Study for Analysis of Variability and Uncertainty in Emissions Estimation...................................................................... 11 2.2.4 Weibull Distribution.3.2 Lognormal Distribution ................................................................ 17 2.3.3 Weibull

  12. Dual window method for processing spectroscopic optical coherence tomography signals with high spectral and spatial resolution

    NASA Astrophysics Data System (ADS)

    Robles, Francisco E.; Graf, Robert N.; Wax, Adam

    2009-02-01

    The generation of spectroscopic optical coherence tomography (SOCT) signals suffers from an inherent trade off between spatial and spectral resolution. Here, we present a dual window (DW) method that uses two Gaussian windows to simultaneously obtain high spectral and spatial resolution. We show that the DW method probes the Winger time-frequency distribution (TFD) with two orthogonal windows set by the standard deviation of the Gaussian windows used for processing. We also show that in the limit of an infinitesimally narrow window, combined with a large window, this method is equivalent to the Kirkwood & Richaczek TFD and, if the real part is taken, it is equivalent to the Margenau & Hill (MH) TFD. We demonstrate the effectiveness of the method by simulating a signal with four components separated in depth or center frequency. Six TFD are compared: the ideal, the Wigner, the MH, narrow window short time Fourier transform (STFT), wide window STFT, and the DW. The results show that the DW method contains features of the Wigner TFD, and that it contains the highest spatial and spectral resolution that is free of artifacts. This method can enable powerful applications, including accurate acquisition of the spectral information for cancer diagnosis.

  13. Apparatus for and method of performing spectroscopic analysis on an article

    DOEpatents

    Powell, George Louis (Oak Ridge, TN); Hallman, Jr., Russell Louis (Knoxville, TN)

    1999-01-01

    An apparatus for and method of analyzing an article having an entrance and an exit in communication with the entrance. The apparatus comprises: a spectrometer having an emission source with a focal point; a plurality of mirrors; and a detector connected to the spectroscope. The emission source is positioned so that its focal point is substantially coextensive with the entrance of the article. The mirrors comprise: a first mirror positionable adjacent the exit of the article and a second mirror positioned relative to the other of said plurality of mirrors. The first mirror receives scattered emissions exiting the article and substantially collimates the scattered emissions. The second mirror substantially focuses the collimated emissions into a focused emission. The detector receives the focused emission from the mirrors.

  14. Apparatus for and method of performing spectroscopic analysis on an article

    DOEpatents

    Powell, G.L.; Hallman, R.L. Jr.

    1999-04-20

    An apparatus and method are disclosed for analyzing an article having an entrance and an exit in communication with the entrance. The apparatus comprises: a spectrometer having an emission source with a focal point; a plurality of mirrors; and a detector connected to the spectroscope. The emission source is positioned so that its focal point is substantially coextensive with the entrance of the article. The mirrors comprise: a first mirror positionable adjacent the exit of the article and a second mirror positioned relative to the other of said plurality of mirrors. The first mirror receives scattered emissions exiting the article and substantially collimates the scattered emissions. The second mirror substantially focuses the collimated emissions into a focused emission. The detector receives the focused emission from the mirrors. 6 figs.

  15. Automatic diagnosis of melanoma using machine learning methods on a spectroscopic system

    PubMed Central

    2014-01-01

    Background Early and accurate diagnosis of melanoma, the deadliest type of skin cancer, has the potential to reduce morbidity and mortality rate. However, early diagnosis of melanoma is not trivial even for experienced dermatologists, as it needs sampling and laboratory tests which can be extremely complex and subjective. The accuracy of clinical diagnosis of melanoma is also an issue especially in distinguishing between melanoma and mole. To solve these problems, this paper presents an approach that makes non-subjective judgements based on quantitative measures for automatic diagnosis of melanoma. Methods Our approach involves image acquisition, image processing, feature extraction, and classification. 187 images (19 malignant melanoma and 168 benign lesions) were collected in a clinic by a spectroscopic device that combines single-scattered, polarized light spectroscopy with multiple-scattered, un-polarized light spectroscopy. After noise reduction and image normalization, features were extracted based on statistical measurements (i.e. mean, standard deviation, mean absolute deviation, L 1 norm, and L 2 norm) of image pixel intensities to characterize the pattern of melanoma. Finally, these features were fed into certain classifiers to train learning models for classification. Results We adopted three classifiers – artificial neural network, naïve bayes, and k-nearest neighbour to evaluate our approach separately. The naive bayes classifier achieved the best performance - 89% accuracy, 89% sensitivity and 89% specificity, which was integrated with our approach in a desktop application running on the spectroscopic system for diagnosis of melanoma. Conclusions Our work has two strengths. (1) We have used single scattered polarized light spectroscopy and multiple scattered unpolarized light spectroscopy to decipher the multilayered characteristics of human skin. (2) Our approach does not need image segmentation, as we directly probe tiny spots in the lesion skin and the image scans do not involve background skin. The desktop application for automatic diagnosis of melanoma can help dermatologists get a non-subjective second opinion for their diagnosis decision. PMID:25311811

  16. Development of vibrational spectroscopic methods to rapidly and non-destructively assess quality of chicken breast meat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Development of Vibrational Spectroscopic Methods to Rapidly and Non-Destructively Assess Quality of Chicken Breast Meat H. Zhuang1, M. Sohn2, S. Trabelsi1 and K. Lawrence1 1Quality and Safety Assessment Research Unit, ARS-USDA, 950 College Station Road, Athens, GA 30605 2University of Georgia, De...

  17. THE JOURNAL OF CHEMICAL PHYSICS 140, 144702 (2014) Theory of third-order spectroscopic methods to extract detailed molecular

    E-print Network

    Fayer, Michael D.

    2014-01-01

    THE JOURNAL OF CHEMICAL PHYSICS 140, 144702 (2014) Theory of third-order spectroscopic methods to extract detailed molecular orientational dynamics for planar surfaces and other uniaxial systems Jun and aligned planar bilayers. The theory is valid regardless of the nature of the actual molecular motions

  18. Silica gel modified with lumogallion for aluminum determination by spectroscopic methods.

    PubMed

    Nadzhafova, Oksana Yu; Zaporozhets, Olga A; Rachinska, Irina V; Fedorenko, Leonid L; Yusupov, Nikolai

    2005-10-15

    Simple, easy to use and selective method of Al(III) sorption-spectroscopic (SS) determination was proposed. For this purpose, silica modified with tridecyloctadecylammonium chloride(SGII) using adsorption technique and glass slide modified with thin silica-poly(dimethyldiallyl-ammonium chloride) (SGI) composite film obtained by sol-gel technique were worked out. It was shown that lumogallion (LG) easily absorbs on SGI and SGII. Obtained sorbents SGIII and SGIV, respectively, were used for aluminum(III) determination by diffuse reflectance and spectrophotometric methods. The ranges of determination were (mg L(-1)): (0.08-0.54), s(r)< or =0.13, n=4 for SGIII and (0.05-2.0), s(r)< or =0.11, n=4 for SGIV. The detection limits (blank+3sigma) for aluminum were 70 and 30 microg L(-1) using SGIII and SGIV, respectively, where sigma is the standard deviation of blank estimation. The accuracy of the developed spectrophotometric method was examined by the determination of standard addition of aluminum in alcohol-free beverages. The relative error did not exceed 9%. SGIII can be regenerated by 0.05M EDTANa(2)H(2) solution and reused. SGIV was shown to be perspective for determination of aluminum in solution in the range of 0.01-0.13 mg L(-1) by solid phase luminescent technique. PMID:18970238

  19. The accuracy of numerical conformal mapping methods: A survey of examples and results

    SciTech Connect

    Delillo, T.K. (Wichita State Univ., KS (United States). Dept. of Mathematics and Statistics)

    1994-06-01

    This paper shows how the geometry of the region affects the conditioning and the accuracy of numerical conformal mapping methods for simply connected regions, especially Fourier series methods. Both explicit examples of popular test cases and more general estimates are discussed. The severe ill conditioning that is known as the crowding phenomenon is discussed and its effect on a conformally transplanted boundary value problem is illustrated. Remarks on various numerical methods are included.

  20. Determination of Cephalexin Monohydrate in Pharmaceutical Dosage Form by Stability-Indicating RP-UFLC and UV Spectroscopic Methods

    PubMed Central

    Panda, Sagar Suman; Ravi Kumar, Bera V. V.; Dash, Rabisankar; Mohanta, Ganeswar

    2013-01-01

    An ultra-fast liquid chromatographic method and two UV spectroscopic methods were developed for the determination of cephalexin monohydrate in pharmaceutical dosage forms. Isocratic separation was performed on an Enable C18G column (250 mm × 4.6 mm i.d., 5 ?m) using methanol:0.01 M TBAHS (50:50, v/v) as the mobile phase at a flow rate of 1.0 ml/min. The PDA detection wavelength was set at 254 nm. The UV spectroscopic method was performed at 261 nm and at 256–266 nm for the AUC method using a phosphate buffer (pH=5.5). The linearity was observed over a concentration range of 1.0–120 ?g/ml for UFLC and both of the UV spectroscopic methods (correlation coefficient=0.999). The developed methods were validated according to ICH guidelines. The relative standard deviation values for the intraday and interday precision studies were < 2%, and the accuracy was > 99% for all of the three methods. The developed methods were used successfully for the determination of cephalexin in dry syrup formulation. PMID:24482771

  1. Comment on “Quantitative comparison of analysis methods for spectroscopic optical coherence tomography”

    PubMed Central

    Kraszewski, Maciej; Trojanowski, Micha?; Str?kowski, Marcin R.

    2014-01-01

    In a recent paper by Bosschaart et al. [Biomed. Opt. Express 4, 2570 (2013)] various algorithms of time-frequency signal analysis have been tested for their performance in blood analysis with spectroscopic optical coherence tomography (sOCT). The measurement of hemoglobin concentration and oxygen saturation based on blood absorption spectra have been considered. Short time Fourier transform (STFT) was found as the best method for the measurement of blood absorption spectra. STFT was superior to other methods, such as dual window Fourier transform. However, the algorithm proposed by Bosschaart et al. significantly underestimates values of blood oxygen saturation. In this comment we show that this problem can be solved by thorough design of STFT algorithm. It requires the usage of a non-gaussian shape of STFT window that may lead to an excellent reconstruction of blood absorption spectra from OCT interferograms. Our study shows that sOCT can be potentially used for estimating oxygen saturation of blood with the accuracy below 1% and the spatial resolution of OCT image better than 20 ?m. PMID:25401015

  2. Spectroscopic studies on the interaction between tetrandrine and two serum albumins by chemometrics methods.

    PubMed

    Cheng, Zhengjun; Liu, Rong; Jiang, Xiaohui

    2013-11-01

    The binding interactions of tetrandrine (TETD) with bovine serum albumin (BSA) and human serum albumin (HSA) have been investigated by spectroscopic methods. These experimental data were further analyzed using multivariate curve resolution-alternating least squares (MCR-ALS) method, and the concentration profiles and pure spectra for three species (BSA/HSA, TETD and TETD-BSA/HSA) existed in the interaction procedure, as well as, the apparent equilibrium constants Kapp were evaluated. The binding sites number n and the binding constants K were obtained at various temperatures. The binding distance between TETD and BSA/HSA was 1.455/1.451nm. The site markers competitive experiments indicated that TETD primarily bound to the tryptophan residue of BSA/HSA within site I. The thermodynamic parameters (?G, ?H and ?S) calculated on the basis of different temperatures revealed that the binding of TETD-BSA was mainly depended on the hydrophobic interaction strongly and electrostatic interaction, and yet the binding of TETD-HSA was strongly relied on the hydrophobic interaction. The results of synchronous fluorescence, 3D fluorescence and FT-IR spectra show that the conformation of proteins has altered in the presence of TETD. In addition, the effect of some common ions on the binding constants between TETD and proteins were also discussed. PMID:23831983

  3. Spectroscopic studies on the interaction between tetrandrine and two serum albumins by chemometrics methods

    NASA Astrophysics Data System (ADS)

    Cheng, Zhengjun; Liu, Rong; jiang, Xiaohui

    2013-11-01

    The binding interactions of tetrandrine (TETD) with bovine serum albumin (BSA) and human serum albumin (HSA) have been investigated by spectroscopic methods. These experimental data were further analyzed using multivariate curve resolution-alternating least squares (MCR-ALS) method, and the concentration profiles and pure spectra for three species (BSA/HSA, TETD and TETD-BSA/HSA) existed in the interaction procedure, as well as, the apparent equilibrium constants Kapp were evaluated. The binding sites number n and the binding constants K were obtained at various temperatures. The binding distance between TETD and BSA/HSA was 1.455/1.451 nm. The site markers competitive experiments indicated that TETD primarily bound to the tryptophan residue of BSA/HSA within site I. The thermodynamic parameters (?G, ?H and ?S) calculated on the basis of different temperatures revealed that the binding of TETD-BSA was mainly depended on the hydrophobic interaction strongly and electrostatic interaction, and yet the binding of TETD-HSA was strongly relied on the hydrophobic interaction. The results of synchronous fluorescence, 3D fluorescence and FT-IR spectra show that the conformation of proteins has altered in the presence of TETD. In addition, the effect of some common ions on the binding constants between TETD and proteins were also discussed.

  4. Methods and Example for Development of a Probabilistic Per-Capita Emission Factor for VOC

    E-print Network

    Frey, H. Christopher

    quality management purposes.1 However, current practice typically ignores the uncertainty in emission1 Methods and Example for Development of a Probabilistic Per-Capita Emission Factor for VOC Emissions from Consumer/Commercial Product Use Paper No. 42162 H. Christopher Frey Department of Civil

  5. Examples of geomorphic reclamation on mined lands in Spain by using the GeoFluv method

    NASA Astrophysics Data System (ADS)

    Martín Duque, José F.; Bugosh, Nicholas; de Francisco, Cristina; Hernando, Néstor; Martín, Cristina; Nicolau, José M.; Nyssen, Sara; Tejedor, María; Zapico, Ignacio

    2015-04-01

    This paper describes seven examples of geomorphic reclamation on mined lands of Spain, as solutions for complex environmental problems, by using the GeoFluv method through the Natural Regrade software (Carlson). Of these seven examples, four of them have been partially or totally constructed. Each of them has its own particularities and contributions, becoming innovative geomorphic solutions to existing environmental (ecological, social and economic) problems. The Quebraderos de la Serrana example (Toledo province) allowed a local company to get permission for slate quarrying in a highly ecologically vulnerable area; before that, the permission for extracting rocks had been rejected with a conventional reclamation approach. The Somolinos case is, to this date, the most complete geomorphic reclamation in Spain, and the first one in Europe to have been built by using the GeoFluv method. This restoration has healed a degraded area of about six hectares at the outskirts of the Somolinos hamlet, in a valuable rural landscape of the Guadalajara province. The Arlanza example (Leon province) shows a design which proposes to restore the hydrological connectivity of a coal mine dump which blocked a valley. The Machorro and María Jose examples (Guadalajara province) are allowing kaolin mining to be compatible with the preservation of protected areas at the edge of the Upper Tagus Natural Park (UTNP), in highly vulnerable conditions for water erosion. The Campredó case (Tarragona province) shows an agreement between a mining company, the academia, and the Catalonian Agency of Water, to combine a high standard of geomorphic reclamation with solving problems caused by flooding downstream of a clay mining area. Finally, the Nuria example is also located at the UTNP area; the goals here are to stabilize a large landslide in a waste dump and to minimize the risk of occurrence of flash floods from mining ponds. Additional information on these examples and about the state of art of the Geomorphic Reclamation practice in Spain can be found at http://www.restauraciongeomorfologica.es.

  6. The interaction of plant-growth regulators with serum albumin: molecular modeling and spectroscopic methods.

    PubMed

    Dong, Sheying; Li, Zhiqin; Shi, Ling; Huang, Guiqi; Chen, Shuangli; Huang, Tinglin

    2014-05-01

    The affinity between two plant-growth regulators (PGRs) and human serum albumin (HSA) was investigated by molecular modeling techniques and spectroscopic methods. The results of molecular modeling simulations revealed that paclobutrazol (PAC) could bind on both site I and site II in HSA where the interaction was easier, while uniconazole (UNI) could not bind with HSA. Furthermore, the results of fluorescence spectroscopy, three-dimensional (3D) fluorescence spectroscopy and circular dichroism (CD) spectroscopy suggested that PAC had a strong ability to quench the intrinsic fluorescence of HSA. The binding affinity (Kb) and the amounts of binding sites (n) between PAC and HSA at 291 K were estimated as 2.37×10(5) mol L(-1) and 1, respectively, which confirm that PAC mainly binds on site II of HSA. An apparent distance between the Trp214 and PAC was 4.41 nm. Additionally, the binding of PAC induced the conformational changes of disulfide bridges of HSA with the decrease of ?-helix content. These studies provide more information on the potential toxicological effects and environmental risk assessment of PGRs. PMID:24569069

  7. Dissection of the binding of hydrogen peroxide to trypsin using spectroscopic methods and molecular modeling

    NASA Astrophysics Data System (ADS)

    Song, Wei; Yu, Zehua; Hu, Xinxin; Liu, Rutao

    2015-02-01

    Studies on the effects of environmental pollutants to protein in vitro has become a global attention. Hydrogen peroxide (H2O2) is used as an effective food preservative and bleacher in industrial production. The toxicity of H2O2 to trypsin was investigated by multiple spectroscopic techniques and the molecular docking method at the molecular level. The intrinsic fluorescence of trypsin was proved to be quenched in a static process based on the results of fluorescence lifetime experiment. Hydrogen bonds interaction and van der Waals forces were the main force to generate the trypsin-H2O2 complex on account of the negative ?H0 and ?S0. The binding of H2O2 changed the conformational structures and internal microenvironment of trypsin illustrated by UV-vis absorption, fluorescence, synchronous fluorescence, three-dimensional (3D) fluorescence and circular dichroism (CD) results. However, the binding site was far away from the active site of trypsin and the trypsin activity was only slightly affected by H2O2, which was further explained by molecular docking investigations.

  8. Dissection of the binding of hydrogen peroxide to trypsin using spectroscopic methods and molecular modeling.

    PubMed

    Song, Wei; Yu, Zehua; Hu, Xinxin; Liu, Rutao

    2015-02-25

    Studies on the effects of environmental pollutants to protein in vitro has become a global attention. Hydrogen peroxide (H2O2) is used as an effective food preservative and bleacher in industrial production. The toxicity of H2O2 to trypsin was investigated by multiple spectroscopic techniques and the molecular docking method at the molecular level. The intrinsic fluorescence of trypsin was proved to be quenched in a static process based on the results of fluorescence lifetime experiment. Hydrogen bonds interaction and van der Waals forces were the main force to generate the trypsin-H2O2 complex on account of the negative ?H(0) and ?S(0). The binding of H2O2 changed the conformational structures and internal microenvironment of trypsin illustrated by UV-vis absorption, fluorescence, synchronous fluorescence, three-dimensional (3D) fluorescence and circular dichroism (CD) results. However, the binding site was far away from the active site of trypsin and the trypsin activity was only slightly affected by H2O2, which was further explained by molecular docking investigations. PMID:25228036

  9. Fully automated shim mapping method for spectroscopic imaging of the mouse brain at 9.4 T.

    PubMed

    Miyasaka, Naoyuki; Takahashi, Kan; Hetherington, Hoby P

    2006-01-01

    For spectroscopic imaging studies of the mouse brain, it is critical to obtain optimal B(0) homogeneity over a large region of interest (ROI). In this paper, a fully automated shimming method for mouse brain at 9.4 T, based on B(0) mapping, is described. B(0) maps were obtained using a multislice gradient echo sequence with multiple phase evolution time delays with a novel unwrapping scheme. The unwrapping method allows phase maps with large bandwidths (+/-1 kHz) but with high resolution (0.3 Hz/ degrees ) to be acquired in a single acquisition, thereby minimizing the number of iterations required. The SD of the B(0) over the ROI (8 x 5 x 1 mm) was less than 10 Hz after shimming. Application of this method to the in vivo mouse brain allowed reproducible, high-quality spectroscopic data to be collected with 1-microl voxels. PMID:16270332

  10. Chemical Characterization of Riverine Dissolved Organic Matter Using a Combination of Spectroscopic and Pyrolytic Methods

    NASA Astrophysics Data System (ADS)

    Templier, J.; Derenne, S.

    2006-12-01

    It is now well established that riverine dissolved organic matter (DOM) play a major role in environmental processes. However natural organic matter exhibit different properties depending on their sources and the fractions considered. As a result chemical characterization of DOM has appeared essential for a better understanding of their reactivity. The purpose of this work was to characterize all of the DOM at molecular level, including the non-hydrolysable fraction, which is a major part of this OM. To this aim a new analytical approach had to be considered. A combination of spectroscopic and pyrolytic methods has been applied to various fractions of DOM originating from different catchments (French and Amazonian rivers). The fractions were termed hydrophilic, transphilic and colloids according to the IHSS fractionation procedure, and account for at least 70% of the total dissolved organic carbon. Solid state 13C NMR and FTIR afford information on the nature and relative abundance of the chemical functions occurring in macromolecules. Differential thermogravimetric analysis allows to determine the thermal behaviour of the studied material and hence to optimize analytical pyrolysis conditions. Curie point pyrolysis combined to gas chromatography and mass spectrometry leads to identification of characteristic pyrolysis products, some of them being specific of a macromolecular source. Additional information can be provided by thermochemolysis with tetramethylammonium hydroxide (TMAH). TMAH was shown to allow an increase in the efficiency of the cracking of macromolecular structures and an enhancement of the detection of the polar pyrolysis products especially due to methylation of the alcohol, phenol and acid groups. The results obtained have established the importance of terrestrial contribution to DOM. Hydrophobic fractions mainly originate from lignin-derived units, whereas transphilic fractions mostly contain cellulose units together with lignin derived ones and substantial amount of nitrogen-containing moieties. Characterization of colloidal fraction has indicated the presence of compounds from bacterial origin, especially specific nitrogen-containing molecules that are characteristic pyrolysis products of peptidoglycans, along with lignin-derived units. However pyrolysis has revealed significant differences in the detection of nitrogen-containing molecules, which do not parallel nitrogen content of the fractions. Moreover in hydrophobic and transphilic fractions the molecular structure of these compounds, which are mainly nitrogen- and oxygen- containing molecules, has not allowed to ascertain their origin. As the major biological sources of organic nitrogen (proteins, amino sugars, or tetrapyrrole pigments) involve differences in the main nitrogen functionality, two additional spectroscopic methods, namely X-ray photoelectron spectroscopy (XPS) and solid state 15N NMR, have been used to determine the nitrogen functional groups (amide, amine, and N-heterocycle) present in the different fractions of DOM. The combination of these two methods has revealed the occurrence of different functionality of nitrogen, with relative contributions depending on the considered fraction. It has also appeared that Curie point pyrolysis does not account for the presence of nitrogen in macromolecules with the same efficiency depending on the functional group involved. This study has highlighted the importance of combining different analytical approaches to obtain a whole insight into chemical structure of OM and avoid biased information.

  11. An internet compendium of analytical methods and spectroscopic information for monomers and additives used in food packaging plastics

    Microsoft Academic Search

    John Gilbert; Catherine Simoneau; David Cote; Achim Boenke

    2000-01-01

    An internet website (http:\\/\\/cpf.jrc.it\\/smt\\/) has been produced as a means of dissemination of methods of analysis and supporting spectroscopic information on monomers and additives used for food contact materials (principally packaging). The site which is aimed primarily at assisting food control laboratories in the European Union contains analytical information on monomers, starting substances and additives used in the manufacture of

  12. A survey of population analysis methods and software for complex pharmacokinetic and pharmacodynamic models with examples

    Microsoft Academic Search

    Robert J. Bauer; Serge Guzy; Chee Ng

    2007-01-01

    An overview is provided of the present population analysis methods and an assessment of which software packages are most appropriate\\u000a for various PK\\/PD modeling problems. Four PK\\/PD example problems were solved using the programs NONMEM VI beta version, PDx-MCPEM,\\u000a S-ADAPT, MONOLIX, and WinBUGS, informally assessed for reasonable accuracy and stability in analyzing these problems. Also,\\u000a for each program we describe

  13. A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics

    PubMed Central

    Steinhauser, Martin O.; Hiermaier, Stefan

    2009-01-01

    This review discusses several computational methods used on different length and time scales for the simulation of material behavior. First, the importance of physical modeling and its relation to computer simulation on multiscales is discussed. Then, computational methods used on different scales are shortly reviewed, before we focus on the molecular dynamics (MD) method. Here we survey in a tutorial-like fashion some key issues including several MD optimization techniques. Thereafter, computational examples for the capabilities of numerical simulations in materials research are discussed. We focus on recent results of shock wave simulations of a solid which are based on two different modeling approaches and we discuss their respective assets and drawbacks with a view to their application on multiscales. Then, the prospects of computer simulations on the molecular length scale using coarse-grained MD methods are covered by means of examples pertaining to complex topological polymer structures including star-polymers, biomacromolecules such as polyelectrolytes and polymers with intrinsic stiffness. This review ends by highlighting new emerging interdisciplinary applications of computational methods in the field of medical engineering where the application of concepts of polymer physics and of shock waves to biological systems holds a lot of promise for improving medical applications such as extracorporeal shock wave lithotripsy or tumor treatment. PMID:20054467

  14. Statistical methods for bivariate spatial analysis in marked points. Examples in spatial epidemiology.

    PubMed

    Souris, Marc; Bichaud, Laurence

    2011-12-01

    This article presents methods to analyze global spatial relationships between two variables in two different sets of fixed points. Analysis of spatial relationships between two phenomena is of great interest in health geography and epidemiology, especially to highlight competing interest between phenomena or evidence of a common environmental factor. Our general approach extends the Moran and Pearson indices to the bivariate case in two different sets of points. The case where the variables are Boolean is treated separately through methods using nearest neighbors distances. All tests use Monte-Carlo simulations to estimate their probability distributions, with options to distinguish spatial and no spatial correlation in the special case of identical sets analysis. Implementation in a Geographic Information System (SavGIS) and real examples are used to illustrate these spatial indices and methods in epidemiology. PMID:22748222

  15. A Systematic Method For Tracer Test Analysis: An Example Using Beowawe Tracer Data

    SciTech Connect

    G. Michael Shook

    2005-01-01

    Quantitative analysis of tracer data using moment analysis requires a strict adherence to a set of rules which include data normalization, correction for thermal decay, deconvolution, extrapolation, and integration. If done correctly, the method yields specific information on swept pore volume, flow geometry and fluid velocity, and an understanding of the nature of reservoir boundaries. All calculations required for the interpretation can be done in a spreadsheet. The steps required for moment analysis are reviewed in this paper. Data taken from the literature is used in an example calculation.

  16. Review of Bayesian statistical analysis methods for cytogenetic radiation biodosimetry, with a practical example.

    PubMed

    Ainsbury, Elizabeth A; Vinnikov, Volodymyr A; Puig, Pedro; Higueras, Manuel; Maznyk, Nataliya A; Lloyd, David C; Rothkamm, Kai

    2014-12-01

    Classical methods of assessing the uncertainty associated with radiation doses estimated using cytogenetic techniques are now extremely well defined. However, several authors have suggested that a Bayesian approach to uncertainty estimation may be more suitable for cytogenetic data, which are inherently stochastic in nature. The Bayesian analysis framework focuses on identification of probability distributions (for yield of aberrations or estimated dose), which also means that uncertainty is an intrinsic part of the analysis, rather than an 'afterthought'. In this paper Bayesian, as well as some more advanced classical, data analysis methods for radiation cytogenetics are reviewed that have been proposed in the literature. A practical overview of Bayesian cytogenetic dose estimation is also presented, with worked examples from the literature. PMID:24282320

  17. Spectroscopic measurements of isotopic water composition using a new modulation cancellation method

    NASA Astrophysics Data System (ADS)

    Spagnolo, Vincenzo; Dong, Lei; Kosterev, Anatoliy A.; Tittel, Frank K.

    2012-01-01

    We report on the application of an innovative spectroscopic balancing technique to measure isotopologue abundance quantification. We employ quartz enhanced photoacoustic spectroscopy in a 2f wavelength modulation mode as an absorption sensing technique and water vapor as a test analyte. Isotope absorption lines with very close lower energy levels and with the same quantum numbers have been selected to limit the sensitivity to temperature variations and guarantee identical broadening relaxation properties. A detection sensitivity in measuring the deviation from a standard sample ?18O of 1.4%o, in 200 sec of integration time was achieved.

  18. The Generalized Bolotin Method as AN Alternative Tool for Complete Dynamic Stability Analysis of Parametrically Excited Systems: Application Examples

    NASA Astrophysics Data System (ADS)

    Turhan, Özgür

    Stability analysis of the solutions of linear differential equations with periodic coefficients or Mathieu-Hill equations constitutes a topic of constant research interest. Many methods have been devised for this purpose, among which is the generalized Bolotin method developed by the present author. This study presents some application examples of that method, by comparing them with the results obtained via monodromy matrix method.

  19. Mesh Deformation Based on Fully Stressed Design: The Method and Two-Dimensional Examples

    NASA Technical Reports Server (NTRS)

    Hsu, Su-Yuen; Chang, Chau-Lyan

    2007-01-01

    Mesh deformation in response to redefined boundary geometry is a frequently encountered task in shape optimization and analysis of fluid-structure interaction. We propose a simple and concise method for deforming meshes defined with three-node triangular or four-node tetrahedral elements. The mesh deformation method is suitable for large boundary movement. The approach requires two consecutive linear elastic finite-element analyses of an isotropic continuum using a prescribed displacement at the mesh boundaries. The first analysis is performed with homogeneous elastic property and the second with inhomogeneous elastic property. The fully stressed design is employed with a vanishing Poisson s ratio and a proposed form of equivalent strain (modified Tresca equivalent strain) to calculate, from the strain result of the first analysis, the element-specific Young s modulus for the second analysis. The theoretical aspect of the proposed method, its convenient numerical implementation using a typical linear elastic finite-element code in conjunction with very minor extra coding for data processing, and results for examples of large deformation of two-dimensional meshes are presented in this paper. KEY WORDS: Mesh deformation, shape optimization, fluid-structure interaction, fully stressed design, finite-element analysis, linear elasticity, strain failure, equivalent strain, Tresca failure criterion

  20. Inclusion interaction of chloramphenicol and heptakis (2,6-di- O-methyl)-?-cyclodextrin: Phase solubility and spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Shi, Jie-Hua; Zhou, Ya-fang

    2011-12-01

    The inclusion interaction between chloramphenicol and heptakis (2,6-di- O-methyl)-?-cyclodextrin (DMBCD) had been investigated by phase solubility and spectroscopic methods such as UV-vis spectroscopy, circular dichroism, Fourier transform infrared (FT-IR) spectroscopy, proton nuclear magnetic resonance spectroscopy ( 1H NMR) as well as 2D-ROESY spectra. Phase solubility analysis showed A L-type diagram with DMBCD, which suggested the formation of 1:1 inclusion complex of DMBCD with chloramphenicol. The estimated stability constant ( Ks) of the inclusion complex of chloramphenicol with DMBCD is 493 M -1 at 293 K. The solubility enhancement of chloramphenicol in the presence of DMBCD is stronger than that in the presence of ?-CD, HP-?-CD and M-?-CD. The results obtained by spectroscopic methods showed that the nitrophenyl moiety of chloramphenicol is deeply inserted into inner cavity of DMBCD from the narrow rim of DMBCD, which the inclusion model of chloramphenicol with DMBCD differs from that with ?-CD.

  1. Macromolecular Competition Titration Method: Accessing Thermodynamics of the Unmodified Macromolecule–Ligand Interactions Through Spectroscopic Titrations of Fluorescent Analogs

    PubMed Central

    Bujalowski, Wlodzimierz; Jezewska, Maria J.

    2011-01-01

    Analysis of thermodynamically rigorous binding isotherms provides fundamental information about the energetics of the ligand–macromolecule interactions and often an invaluable insight about the structure of the formed complexes. The Macromolecular Competition Titration (MCT) method enables one to quantitatively obtain interaction parameters of protein–nucleic acid interactions, which may not be available by other methods, particularly for the unmodified long polymer lattices and specific nucleic acid substrates, if the binding is not accompanied by adequate spectroscopic signal changes. The method can be applied using different fluorescent nucleic acids or fluorophores, although the etheno-derivatives of nucleic acid are especially suitable as they are relatively easy to prepare, have significant blue fluorescence, their excitation band lies far from the protein absorption spectrum, and the modification eliminates the possibility of base pairing with other nucleic acids. The MCT method is not limited to the specific size of the reference nucleic acid. Particularly, a simple analysis of the competition titration experiments is described in which the fluorescent, short fragment of nucleic acid, spanning the exact site-size of the protein–nucleic acid complex, and binding with only a 1:1 stoichiometry to the protein, is used as a reference macromolecule. Although the MCT method is predominantly discussed as applied to studying protein–nucleic acid interactions, it can generally be applied to any ligand–macromolecule system by monitoring the association reaction using the spectroscopic signal originating from the reference macromolecule in the presence of the competing macromolecule, whose interaction parameters with the ligand are to be determined. PMID:21195223

  2. Raman spectroscopic methods for classification of normal and malignant hypopharyngeal tissues: an exploratory study.

    PubMed

    Pujary, Parul; Maheedhar, K; Krishna, C Murali; Pujary, Kailesh

    2011-01-01

    Laryngeal cancer is more common in males. The present study is aimed at exploration of potential of conventional Raman spectroscopy in classifying normal from a malignant laryngopharyngeal tissue. We have recorded Raman spectra of twenty tissues (aryepiglottic fold) using an in-house built Raman setup. The spectral features of mean malignant spectrum suggests abundance proteins whereas spectral features of mean normal spectrum indicate redundancy of lipids. PCA was employed as discriminating algorithm. Both, unsupervised and supervised modes of analysis as well as match/mismatch "limit test" methodology yielded clear classification among tissue types. The findings of this study demonstrate the efficacy of conventional Raman spectroscopy in classification of normal and malignant laryngopharyngeal tissues. A rigorous evaluation of the models with development of suitable fibreoptic probe may enable real-time Raman spectroscopic diagnosis of laryngopharyngeal cancers in future. PMID:21804932

  3. Monitoring, Controlling and Safeguarding Radiochemical Streams at Spent Fuel Reprocessing Facilities with Optical and Gamma-Ray Spectroscopic Methods

    SciTech Connect

    Schwantes, Jon M.; Bryan, Samuel A.; Orton, Christopher R.; Levitskaia, Tatiana G.; Fraga, Carlos G.

    2012-11-06

    The International Atomic Energy Agency (IAEA) has established international safeguards standards for fissionable material at spent fuel reprocessing plants to ensure that significant quantities of weapons-useable nuclear material are not diverted from these facilities. For large throughput nuclear facilities, it is difficult to satisfy the IAEA safeguards accountancy goal for detection of abrupt diversion. Currently, methods to verify material control and accountancy (MC&A) at these facilities require time-consuming and resourceintensive destructive assay (DA). Leveraging new on-line non-destructive assay (NDA) process monitoring techniques in conjunction with the traditional and highly precise DA methods may provide an additional measure to nuclear material accountancy which would potentially result in a more timely, cost-effective and resource efficient means for safeguards verification at such facilities. By monitoring process control measurements (e.g. flowrates, temperatures, or concentrations of reagents, products or wastes), abnormal plant operations can be detected. Pacific Northwest National Laboratory (PNNL) is developing on-line NDA process monitoring technologies based upon gamma-ray and optical spectroscopic measurements to potentially reduce the time and resource burden associated with current techniques. The Multi-Isotope Process (MIP) Monitor uses gamma spectroscopy and multivariate analysis to identify offnormal conditions in process streams. The spectroscopic monitor continuously measures chemical compositions of the process streams including actinide metal ions (U, Pu, Np), selected fission products, and major stable flowsheet reagents using UV-Vis, Near IR and Raman spectroscopy. Multi-variate analysis is also applied to the optical measurements in order to quantify concentrations of analytes of interest within a complex array of radiochemical streams. This paper will provide an overview of these methods and reports on-going efforts to develop and demonstrate the technologies.

  4. Proposal and Evaluation of an Extraction Method for Inaccurate Example Sentences Using a Web Search Engine for Multilingual Parallel Texts

    Microsoft Academic Search

    Taku Fukushima; Takashi Yoshino; Aguri Shigeno

    2011-01-01

    In this study, we have proposed an extraction method for inaccurate example sentences using a Web search engine for multilingual parallel texts. We developed a mul- tilingual parallel-text sharing system named TackPad for multilingual communication in the medical field. However, it should be noted that parallel texts created by people can be inaccurate. Hence, we cannot use these parallel texts

  5. EVALUATION OF EXTRACTION AND SPECTROSCOPIC METHODS FOR PB SPECIATION IN AN AMENDED SOIL

    EPA Science Inventory

    Immobilization of pyromorphite (Pbs(PO4hCI) via P amendments to Pb contaminated soils is proving to be a viable method of remediation. However, the issue of ascertaining the amount of soil Pb converted to pyromorphite is difficult in heterogeneous soil systems. Previous attempts ...

  6. Flow cytometry for intracellular SPION quantification: specificity and sensitivity in comparison with spectroscopic methods

    PubMed Central

    Friedrich, Ralf P; Janko, Christina; Poettler, Marina; Tripal, Philipp; Zaloga, Jan; Cicha, Iwona; Dürr, Stephan; Nowak, Johannes; Odenbach, Stefan; Slabu, Ioana; Liebl, Maik; Trahms, Lutz; Stapf, Marcus; Hilger, Ingrid; Lyer, Stefan; Alexiou, Christoph

    2015-01-01

    Due to their special physicochemical properties, iron nanoparticles offer new promising possibilities for biomedical applications. For bench to bedside translation of super-paramagnetic iron oxide nanoparticles (SPIONs), safety issues have to be comprehensively clarified. To understand concentration-dependent nanoparticle-mediated toxicity, the exact quantification of intracellular SPIONs by reliable methods is of great importance. In the present study, we compared three different SPION quantification methods (ultraviolet spectrophotometry, magnetic particle spectroscopy, atomic adsorption spectroscopy) and discussed the shortcomings and advantages of each method. Moreover, we used those results to evaluate the possibility to use flow cytometric technique to determine the cellular SPION content. For this purpose, we correlated the side scatter data received from flow cytometry with the actual cellular SPION amount. We showed that flow cytometry provides a rapid and reliable method to assess the cellular SPION content. Our data also demonstrate that internalization of iron oxide nanoparticles in human umbilical vein endothelial cells is strongly dependent to the SPION type and results in a dose-dependent increase of toxicity. Thus, treatment with lauric acid-coated SPIONs (SEONLA) resulted in a significant increase in the intensity of side scatter and toxicity, whereas SEONLA with an additional protein corona formed by bovine serum albumin (SEONLA-BSA) and commercially available Rienso® particles showed only a minimal increase in both side scatter intensity and cellular toxicity. The increase in side scatter was in accordance with the measurements for SPION content by the atomic adsorption spectroscopy reference method. In summary, our data show that flow cytometry analysis can be used for estimation of uptake of SPIONs by mammalian cells and provides a fast tool for scientists to evaluate the safety of nanoparticle products.

  7. [Incident reporting systems in anesthesiology--methods and benefits using the example of PaSOS].

    PubMed

    Rall, Marcus; Reddersen, Silke; Zieger, Jörg; Schädle, Bertram; Hirsch, Patricia; Stricker, Eric; Martin, Jörg; Geldner, Götz; Schleppers, Alexander

    2008-09-01

    Preventing patient harm is one of the main tasks for the field of anesthesiology from early on. With the introduction of the national German incident reporting system PaSOS, which is hosted by the German anesthesia society, anesthesiology is again leading the field of patient safety. Important elements, success factors and background information for the introduction of successful incident reporting systems in an organization are given. Examples by and from PaSOS are given. PMID:18792866

  8. Spectroscopic Observations

    NSDL National Science Digital Library

    This is a series of three activities about light and spectra. First, learners will construct their own spectroscope, observe common light sources, record the observed spectra, and compare their findings. Next, learners will use their spectroscopes to observe the spectra from different gas tubes and compare each observed spectrum to known spectra. Finally, they will observe a solar spectrum created by a prism, view a solar spectrum on paper, and attempt to determine the elements present in the Sun. This activity requires spectroscope posters and gratings available from the Stanford Solar Center (http://solar-center.stanford.edu/posters/), fluorescent and incandescent light sources, and emission lamps and power sources. This activity is from the Stanford Solar Center's All About the Sun: Sun and Stars activity guide for Grades 5-8 and can also accompany the Stanford Solar Center's Build Your Own Spectroscope activity.

  9. Analysis of binding interaction between (-)-epigallocatechin (EGC) and ?-lactoglobulin by multi-spectroscopic method

    NASA Astrophysics Data System (ADS)

    Wu, Xuli; Wu, Hui; Liu, Meixia; Liu, Zhigang; Xu, Hong; Lai, Furao

    2011-11-01

    The binding interaction between (-)-epigallocatechin (EGC) with bovine ?-lactoglobulin (?LG) was investigated by fluorescence, circular dichroism (CD) and Fourier transform infrared (FTIR) spectroscopy methods. The binding parameters were determined by Stern-Volmer equation and the thermodynamic parameters were calculated according to the van't Hoff equation. The results suggested that ?LG was bound by EGC, which resulted in change of native conformation of ?LG. van der Waals interactions and hydrogen bonding probably played major roles in the binding process. Our study is helpful for further elucidation of binding interactions between catechins with milk proteins, which would contribute to the development of novel milk products.

  10. Using a Three-Step Method in a Calculus Class: Extending the Worked Example

    ERIC Educational Resources Information Center

    Miller, David

    2010-01-01

    This article discusses a three-step method that was used in a college calculus course. The three-step method was developed to help students understand the course material and transition to be more independent learners. In addition, the method helped students to transfer concepts from short-term to long-term memory while lowering cognitive load.…

  11. A spectroscopic method for identifying terrestrial biocarbonates and application to Mars

    NASA Astrophysics Data System (ADS)

    Blanco, A.; Orofino, V.; D'Elia, M.; Fonti, S.; Mastandrea, A.; Guido, A.; Russo, F.

    2011-06-01

    Searching for traces of extinct and/or extant life on Mars is one of the major objectives for remote-sensing and in situ exploration of the planet. In previous laboratory works we have investigated the infrared spectral modifications induced by thermal processing on different carbonate samples, in the form of fresh shells and fossils of different ages, whose biotic origin is easily recognizable. The goal was to discriminate them from their abiotic counterparts. In general, it is difficult to identify biotic signatures, especially when the organisms inducing the carbonate precipitation have low fossilization potential (i.e. microbes, bacteria, archaea). A wide variety of microorganisms are implicated in carbonate genesis, and their direct characterization is very difficult to evaluate by traditional methods, both in ancient sedimentary systems and even in recent environments. In the present work we apply our analysis to problematic carbonate samples, in which there is no clear evidence of controlled or induced biomineralization. This analysis indicates a very likely biotic origin of the aragonite samples under study, in agreement with the conclusion previously reported by Guido et al. (2007) who followed a completely different approach based on a complex set of sedimentary, petrographic, geochemical and biochemical analyses. We show that our method is reliable for discriminating between biotic and abiotic carbonates, and therefore it is a powerful tool in the search for life on Mars in the next generation of space missions to the planet.

  12. Characterization of U(VI)-phases in corroded cement products by micro(?)-spectroscopic methods

    NASA Astrophysics Data System (ADS)

    Rothe, J.; Brendebach, B.; Bube, C.; Dardenne, K.; Denecke, M. A.; Kienzler, B.; Metz, V.; Prüßmann, T.; Rickers-Appel, K.; Schild, D.; Soballa, E.; Vitova, T.

    2013-04-01

    Cementation is an industrial scale conditioning method applied to fix and solidify liquid low and intermediate level radioactive wastes (LLW/ILW) prior to underground disposal in geological formations.To assist prognosis of the long-term safety of cemented waste, alteration of uranium doped cement productswas studied in chloride-rich solutions relevant for final LLW/ILW disposal in rock salt. After long-time exposure of the full-scale LLW/ILW simulates to concentrated NaCl and MgCl2 brines, solid samples were retrieved for chemical and mineralogical analysis with an emphasis on uranium speciation in the corroded cement matrix.Bulk and recent spatially resolved micro(?) U L3-XAFS measurements point to the occurrence of a diuranate type U(VI) phase forming throughout the corroded cement monoliths. U-enriched hot spots with dimensions up to several tens of ?m turn out to be generally X-ray amorphous.

  13. Determination of absolute configuration and conformation of a cyclic dipeptide by NMR and chiral spectroscopic methods.

    PubMed

    Li, Xiaojun; Hopmann, Kathrin H; Hudecová, Jana; Isaksson, Johan; Novotná, Jana; Stensen, Wenche; Andrushchenko, Valery; Urbanová, Marie; Svendsen, John-Sigurd; Bou?, Petr; Ruud, Kenneth

    2013-02-28

    Increasing precision of contemporary computational methods makes spectroscopies such as vibrational (VCD) and electronic (ECD) circular dichroism attractive for determination of absolute configurations (AC) of organic compounds. This is, however, difficult for polar, flexible molecules with multiple chiral centers. Typically, a combination of several methods provides the best picture of molecular behavior. As a test case, all possible stereoisomers with known AC (RS, SR, SS, and RR) of the cyclic dipeptide cyclo(Arg-Trp) (CAT) were synthesized, and the performances of the ECD, infrared (IR), VCD, Raman, Raman optical activity (ROA), and nuclear magnetic resonance (NMR) techniques for AC determination were investigated. The spectra were interpreted with the aid of density functional theory (DFT) calculations. Folded geometries stabilized by van der Waals and electrostatic interactions between the diketopiperazine (DKP) ring and the indole group are predicted to be preferred for CAT, with more pronounced folding due to Arg-Trp stacking in the case of SS/RR-CAT. The RS/SR isomers prefer a twist-boat puckering of the DKP ring, which is relatively independent of the orientation of the side chains. Calculated conformer-averaged VCD and ECD spectra explain most of the experimentally observed bands and allow for AC determination of the tryptophan side-chain, whereas the stereochemical configuration of the arginine side-chain is visible only in VCD. NMR studies provide characteristic long-range (2)J(C,H) and (3)J(C,H) coupling constants, and nuclear Overhauser effect (NOE) correlations, which in combination with either ECD or VCD also allow for complete AC determination of CAT. PMID:23347158

  14. Novel infrared spectroscopic method for the determination of crystallinity of hydroxyapatite minerals.

    PubMed Central

    Pleshko, N; Boskey, A; Mendelsohn, R

    1991-01-01

    Biologically important apatite analogues have been examined by Fourier Transform Infrared Spectroscopy (FT-IR), and a method developed to quantitatively assess their crystalinity. Changes in the phosphate v1 and v3 regions, 900-1,200 cm-1, for a series of synthetic (containing hydroxide, fluoride, or carbonate ion) and biological apatites with crystal sizes of 100-200 A were analyzed with curve-fitting and second derivative spectroscopy. The v1,v3 contour was composed of three main subbands. Correlations were noted between two spectral parameters and crystal size as determined by x-ray diffraction. The percentage area of a component near 1,060 cm-1 decreased as the length of the c-axis of the hydroxyapatite (HA) compounds increased, while the frequency of a band near 1,020 cm-1 increased with increasing length of the apatite c-axis. These parameters are thus proposed as indices of crystallinity for biological (poorly crystalline) HA. The FT-IR spectra of highly crystalline apatitic compounds were also analyzed. For crystal sizes of 200-450 A, the percentage area of the phosphate v1 band (near 960 cm-1) decreased with increasing HA crystal size. IR indices of crystallinity have thus been developed for both well crystallized and poorly crystallized HA derivatives. The molecular origins of the various contributions to the v1,v3 contour are discussed, and a preliminary application of the method to a microscopic biological sample (rat epiphyseal growth plate) is illustrated. PMID:1660314

  15. Studies on the interactions of kaempferol to calcineurin by spectroscopic methods and docking.

    PubMed

    Lei, Hong; Qi, Yao; Jia, Zhi-Guang; Lin, Wei-Lin; Wei, Qun

    2009-08-01

    Kaempferol, in our previous study, was a new immunosuppressant on calcineurin (CN), the Ca(2+)/calmodulin (CaM)-dependent protein phosphatase. Here, we examined the interactions of kaempferol with CN by fluorescence spectroscopy (FS), circular dichroism spectroscopy (CD) and docking. Data of kaempferol with CN catalytic subunit (CN A) and its truncated mutant CNAa obtained by FS method showed that the binding stoichiometry of kaempferol/CN A was 1:1, catalytic domain of CN A was the concrete domain for kaempferol binding while other domains contributed a lot to this binding. Distances from kaempferol to each tryptophan (Trp) in CN A by energy transfer experiments and the subsequent docking study interestingly provided the same binding sites for kaempferol, which all located in the non-active site area of CN A catalytic domain, also consisted with our previous conclusion from CN activity assay. Furthermore, CD results showed a much tighter structure of CN A for the inhibitor binding; on the other hand, presence of Ca(2+) and Mn(2+) decreased kaempferol binding on CN A. PMID:19439201

  16. Investigation on interaction between Ligupurpuroside A and pepsin by spectroscopic and docking methods

    NASA Astrophysics Data System (ADS)

    Shen, Liangliang; Xu, Hong; Huang, Fengwen; Li, Yi; Xiao, Huafeng; Yang, Zhen; Hu, Zhangli; He, Zhendan; Zeng, Zheling; Li, Yinong

    2015-01-01

    Ligupurpuroside A is one of the major glycoside in Ku-Din-Cha, a type of Chinese functional tea. In order to better understand its digestion and metabolism in humans, the interaction between Ligupurpuroside A and pepsin has been investigated by fluorescence spectra, UV-vis absorption spectra and synchronous fluorescence spectra along with molecular docking method. The fluorescence experiments indicate that Ligupurpuroside A can effectively quench the intrinsic fluorescence of pepsin through a combined quenching way at the low concentration of Ligupurpuroside A, and a static quenching procedure at the high concentration. The binding constant, binding sites of Ligupurpuroside A with pepsin have been calculated. The thermodynamic analysis suggests that non-covalent reactions, including electrostatic force, hydrophobic interaction and hydrogen bond are the main forces stabilizing the complex. According to the Förster's non-radiation energy transfer theory, the binding distance between pepsin and Ligupurpuroside A was calculated to be 3.15 nm, which implies that energy transfer occurs between pepsin and Ligupurpuroside A. Conformation change of pepsin was observed from UV-vis absorption spectra and synchronous fluorescence spectra under experimental conditions. In addition, all these experimental results have been validated by the protein-ligand docking studies which show that Ligupurpuroside A is located in the cleft between the domains of pepsin.

  17. Characterization of interaction of calf thymus DNA with gefitinib: Spectroscopic methods and molecular docking.

    PubMed

    Shi, Jie-Hua; Liu, Ting-Ting; Jiang, Min; Chen, Jun; Wang, Qi

    2015-06-01

    The binding interaction of gefitinib with calf thymus DNA (ct-DNA) under the simulated physiological pH condition was studied employing UV absorption, fluorescence, circular dichroism (CD), viscosity measurement and molecular docking methods. The experimental results revealed that gefitinib preferred to bind to the minor groove of ct-DNA with the binding constant (Kb) of 1.29×10(4)Lmol(-1) at 298K. Base on the signs and magnitudes of the enthalpy change (?H(0)=-60.4kJmol(-1)) and entropy change (?S(0)=-124.7Jmol(-1)K(-1)) in the binding process and the results of molecular docking, it can be concluded that the main interaction forces between gefitinib and ct-DNA in the binding process were van der Waals force and hydrogen bonding interaction. The results of CD experiments revealed that gefitinib did not disturb native B-conformation of ct-DNA. And, the significant change in the conformation of gefitinib in gefitinib-ct-DNA complex was observed from the molecular docking results and the change was close relation with the structure of B-DNA fragments, indicating that the flexibility of gefitinib molecule also plays an important role in the formation of the stable gefitinib-ct-DNA complex. PMID:25839749

  18. Investigation on interaction between Ligupurpuroside A and pepsin by spectroscopic and docking methods.

    PubMed

    Shen, Liangliang; Xu, Hong; Huang, Fengwen; Li, Yi; Xiao, Huafeng; Yang, Zhen; Hu, Zhangli; He, Zhendan; Zeng, Zheling; Li, Yinong

    2015-01-25

    Ligupurpuroside A is one of the major glycoside in Ku-Din-Cha, a type of Chinese functional tea. In order to better understand its digestion and metabolism in humans, the interaction between Ligupurpuroside A and pepsin has been investigated by fluorescence spectra, UV-vis absorption spectra and synchronous fluorescence spectra along with molecular docking method. The fluorescence experiments indicate that Ligupurpuroside A can effectively quench the intrinsic fluorescence of pepsin through a combined quenching way at the low concentration of Ligupurpuroside A, and a static quenching procedure at the high concentration. The binding constant, binding sites of Ligupurpuroside A with pepsin have been calculated. The thermodynamic analysis suggests that non-covalent reactions, including electrostatic force, hydrophobic interaction and hydrogen bond are the main forces stabilizing the complex. According to the Förster's non-radiation energy transfer theory, the binding distance between pepsin and Ligupurpuroside A was calculated to be 3.15 nm, which implies that energy transfer occurs between pepsin and Ligupurpuroside A. Conformation change of pepsin was observed from UV-vis absorption spectra and synchronous fluorescence spectra under experimental conditions. In addition, all these experimental results have been validated by the protein-ligand docking studies which show that Ligupurpuroside A is located in the cleft between the domains of pepsin. PMID:25078459

  19. Comparison of methods used to estimate conventional undiscovered petroleum resources: World examples

    USGS Publications Warehouse

    Ahlbrandt, T.S.; Klett, T.R.

    2005-01-01

    Various methods for assessing undiscovered oil, natural gas, and natural gas liquid resources were compared in support of the USGS World Petroleum Assessment 2000. Discovery process, linear fractal, parabolic fractal, engineering estimates, PETRIMES, Delphi, and the USGS 2000 methods were compared. Three comparisons of these methods were made in: (1) the Neuquen Basin province, Argentina (different assessors, same input data); (2) provinces in North Africa, Oman, and Yemen (same assessors, different methods); and (3) the Arabian Peninsula, Arabian (Persian) Gulf, and North Sea (different assessors, different methods). A fourth comparison (same assessors, same assessment methods but different geologic models), between results from structural and stratigraphic assessment units in the North Sea used only the USGS 2000 method, and hence compared the type of assessment unit rather than the method. In comparing methods, differences arise from inherent differences in assumptions regarding: (1) the underlying distribution of the parent field population (all fields, discovered and undiscovered), (2) the population of fields being estimated; that is, the entire parent distribution or the undiscovered resource distribution, (3) inclusion or exclusion of large outlier fields; (4) inclusion or exclusion of field (reserve) growth, (5) deterministic or probabilistic models, (6) data requirements, and (7) scale and time frame of the assessment. Discovery process, Delphi subjective consensus, and the USGS 2000 method yield comparable results because similar procedures are employed. In mature areas such as the Neuquen Basin province in Argentina, the linear and parabolic fractal and engineering methods were conservative compared to the other five methods and relative to new reserve additions there since 1995. The PETRIMES method gave the most optimistic estimates in the Neuquen Basin. In less mature areas, the linear fractal method yielded larger estimates relative to other methods. A geologically based model, such as one using the total petroleum system approach, is preferred in that it combines the elements of petroleum source, reservoir, trap and seal with the tectono-stratigraphic history of basin evolution with petroleum resource potential. Care must be taken to demonstrate that homogeneous populations in terms of geology, geologic risk, exploration, and discovery processes are used in the assessment process. The USGS 2000 method (7th Approximation Model, EMC computational program) is robust; that is, it can be used in both mature and immature areas, and provides comparable results when using different geologic models (e.g. stratigraphic or structural) with differing amounts of subdivisions, assessment units, within the total petroleum system. ?? 2005 International Association for Mathematical Geology.

  20. IR spectroscopic methods for the investigation of the CO release from CORMs.

    PubMed

    Klein, Moritz; Neugebauer, Ute; Gheisari, Ali; Malassa, Astrid; Jazzazi, Taghreed M A; Froehlich, Frank; Westerhausen, Matthias; Schmitt, Michael; Popp, Jürgen

    2014-07-24

    Carbon monoxide (CO) is a toxic gas for mammals, and despite this fact, it is naturally produced in these organisms and has been proven to be beneficial in medical treatments, too. Therefore, CO-releasing molecules (CORMs) are intensively developed to administer and dose CO for physiological applications. Nearly all of these compounds are metal carbonyl complexes, which have been synthesized and investigated. However, for most of these CORMs, the exact reaction mechanisms of CO release is not completely elucidated, although it is of utmost importance. The widely used myoglobin assay for testing the CO release has several disadvantages, and therefore, different methods have to be applied to characterize CORMs. In this work, different setups of IR absorption spectroscopy are used to analyze and quantify the CO release during the decay of various CORMs: IR spectroscopy of the gas phase is applied to follow the CO liberation, and attenuated total reflection (ATR) IR spectroscopy is used to record the decay of the metal carbonyl. IR spectroscopy supported by DFT calculations yields valuable insights in the CO release reaction mechanism. The focus is set on two different CORMs: CORM-2 (Ru2(CO)(6)Cl(4)) and on the photoactive CORM-S1 (photoCORM [Fe(CO)2(SCH2CH2NH2)2]). Our results indicate that the CO liberation from CORM-2 strongly depends on sodium dithionite, which is required for the commonly applied myoglobin assay and that CORM-S1 loses all its bound CO molecules upon irradiation with blue light. PMID:24978105

  1. Rietveld refinement and spectroscopic studies of sodium lead fluoroapatite lacunaire synthesized by hydrothermal method

    SciTech Connect

    Toumi, M. [Laboratoire de L'Etat Solide (LES), Faculte des Sciences de Sfax, Route de Soukra Km 3.5, BP 802, 3018 Sfax (Tunisia)], E-mail: mohamed.toumi@fss.rnu.tn; Mhiri, T. [Laboratoire de L'Etat Solide (LES), Faculte des Sciences de Sfax, Route de Soukra Km 3.5, BP 802, 3018 Sfax (Tunisia)

    2008-06-03

    The structure of NaPb{sub 9}(PO{sub 4}){sub 6}F(H{sub 2}O){sub 0.33}, isostructural with apatite, was determined by X-ray powder diffraction methods and the result of Rietveld refinement is P6{sub 3}/m, a = 9.76396(8) A and c = 7.27520(9) A. The final refinement led to R{sub F} = 5.4%, R{sub B} = 6.6%. In the tunnel, the water molecule (O{sub w}) and F{sup -} ions appear to be located in 2b and 4e sites, with occupancies of 0.028(6) and 0.075(8), respectively. In the M(1) and M(2) sites the occupancies of Pb and Na are 0.282(3)/0.051(3) and 0.467(5)/0.033(5), respectively. The formula assigned to the compound is [Pb{sub 3.38(4)}Na{sub 0.62(4)}](1)[Pb{sub 5.60(6)}Na{sub 0.40(6)}](2)(PO{sub =} 4){sub 6}F{sub 0.90(10)}(H{sub 2}O){sub 0.33(7)}{open_square}{sub 0.77(17)}, where {open_square} = vacancy. The assignment of the observed frequencies in the Raman and infrared spectra is discussed on the basis of a unit-cell group analysis and by comparison with fluor and chloroapatite analogs. The result of {sup 31}P and {sup 23}Na magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopies confirmed the structural results.

  2. Qualitative Methods Can Enrich Quantitative Research on Occupational Stress: An Example from One Occupational Group

    ERIC Educational Resources Information Center

    Schonfeld, Irvin Sam; Farrell, Edwin

    2010-01-01

    The chapter examines the ways in which qualitative and quantitative methods support each other in research on occupational stress. Qualitative methods include eliciting from workers unconstrained descriptions of work experiences, careful first-hand observations of the workplace, and participant-observers describing "from the inside" a particular…

  3. Microstress estimate of stochastically heterogeneous structures by the functional perturbation method: A one dimensional example

    Microsoft Academic Search

    Eli Altus

    2006-01-01

    A new functional perturbation method (FPM) for calculating the probabilistic response of stochastically heterogeneous, linear elastic structures is developed. The method is based on treating the governing differential operator as well as the unknown displacement function as a functional of material modulus field. By executing a functional perturbation around the homogeneous case, a set of successive differential equations is obtained

  4. Localized and Spectroscopic Orbitals: Squirrel Ears on Water.

    ERIC Educational Resources Information Center

    Martin, R. Bruce

    1988-01-01

    Reexamines the electronic structure of water considering divergent views. Discusses several aspects of molecular orbital theory using spectroscopic molecular orbitals and localized molecular orbitals. Gives examples for determining lowest energy spectroscopic orbitals. (ML)

  5. A method to derive vegetation distribution maps for pollen dispersion models using birch as an example

    NASA Astrophysics Data System (ADS)

    Pauling, A.; Rotach, M. W.; Gehrig, R.; Clot, B.

    2012-09-01

    Detailed knowledge of the spatial distribution of sources is a crucial prerequisite for the application of pollen dispersion models such as, for example, COSMO-ART (COnsortium for Small-scale MOdeling - Aerosols and Reactive Trace gases). However, this input is not available for the allergy-relevant species such as hazel, alder, birch, grass or ragweed. Hence, plant distribution datasets need to be derived from suitable sources. We present an approach to produce such a dataset from existing sources using birch as an example. The basic idea is to construct a birch dataset using a region with good data coverage for calibration and then to extrapolate this relationship to a larger area by using land use classes. We use the Swiss forest inventory (1 km resolution) in combination with a 74-category land use dataset that covers the non-forested areas of Switzerland as well (resolution 100 m). Then we assign birch density categories of 0%, 0.1%, 0.5% and 2.5% to each of the 74 land use categories. The combination of this derived dataset with the birch distribution from the forest inventory yields a fairly accurate birch distribution encompassing entire Switzerland. The land use categories of the Global Land Cover 2000 (GLC2000; Global Land Cover 2000 database, 2003, European Commission, Joint Research Centre; resolution 1 km) are then calibrated with the Swiss dataset in order to derive a Europe-wide birch distribution dataset and aggregated onto the 7 km COSMO-ART grid. This procedure thus assumes that a certain GLC2000 land use category has the same birch density wherever it may occur in Europe. In order to reduce the strict application of this crucial assumption, the birch density distribution as obtained from the previous steps is weighted using the mean Seasonal Pollen Index (SPI; yearly sums of daily pollen concentrations). For future improvement, region-specific birch densities for the GLC2000 categories could be integrated into the mapping procedure.

  6. Using Google Analytics as a process evaluation method for Internet-delivered interventions: an example on sexual health.

    PubMed

    Crutzen, Rik; Roosjen, Johanna L; Poelman, Jos

    2013-03-01

    The study aimed to demonstrate the potential of Google Analytics as a process evaluation method for Internet-delivered interventions, using a website about sexual health as an example. This study reports visitors' behavior until 21 months after the release of the website (March 2009-December 2010). In total, there were 850 895 visitors with an average total visiting time (i.e. dose) of 5:07 min. Google Analytics provided data to answer three key questions in terms of process evaluation of an Internet-delivered intervention: (i) How do visitors behave?; (ii) Where do visitors come from? and (iii) What content are visitors exposed to? This real-life example demonstrated the potential of Google Analytics as a method to be used in a process evaluation of Internet-delivered interventions. This is highly relevant given the current expansion of these interventions within the field of health promotion. PMID:22377974

  7. A systematic method to identify the space group from PED and CBED patterns part II--practical examples.

    PubMed

    Jacob, D; Ji, G; Morniroli, J P

    2012-10-01

    Precession Electron Diffraction and Convergent-Beam Electron Diffraction are used in a complementary way to determine the space group of three known structures following the general method described in the first part of this paper. The selected structures concern a monoclinic example (coesite SiO(2) with space group C2/c) and two cubic examples (?-Al(4)Cu(9) with space group P43[combining overline]m and pyrite FeS(2) with space group Pa3[combining overline]). For each case, a minimum number of zone axis patterns are used to determine the space group without ambiguity, which illustrates the simplicity and reliability of the method. PMID:22749238

  8. ¹?C(n,?) ¹?C as a Test Case in the Evaluation of a New Method to Determine Spectroscopic Factors Using Asymptotic Normalization Coefficients

    E-print Network

    McCleskey, Matthew Edgar

    2012-02-14

    Case in the Evaluation of a New Method to Determine Spectroscopic Factors Using Asymptotic Normalization Coefficients. (December 2011) Matthew Edgar McCleskey, B.S., Texas A&M University Chair of Advisory Committee: Dr. Robert E. Tribble With new... reactions, many measurements were made and many different models were proposed and developed to understand nuclei. Much was learned. However, the recent development of radioactive beam facilities around the world, capable of providing beams of nuclei far...

  9. A comparison of methods to estimate seismic phase delays: numerical examples for coda wave interferometry

    NASA Astrophysics Data System (ADS)

    Mikesell, T. Dylan; Malcolm, Alison E.; Yang, Di; Haney, Matthew M.

    2015-07-01

    Time-shift estimation between arrivals in two seismic traces before and after a velocity perturbation is a crucial step in many seismic methods. The accuracy of the estimated velocity perturbation location and amplitude depend on this time shift. Windowed cross-correlation and trace stretching are two techniques commonly used to estimate local time shifts in seismic signals. In the work presented here we implement Dynamic Time Warping (DTW) to estimate the warping function - a vector of local time shifts that globally minimizes the misfit between two seismic traces. We compare all three methods using acoustic numerical experiments. We show that DTW is comparable to or better than the other two methods when the velocity perturbation is homogeneous and the signal-to-noise ratio is high. When the signal-to-noise ratio is low, we find that DTW and windowed cross-correlation are more accurate than the stretching method. Finally, we show that the DTW algorithm has good time resolution when identifying small differences in the seismic traces for a model with an isolated velocity perturbation. These results impact current methods that utilize not only time shifts between (multiply) scattered waves, but also amplitude and decoherence measurements.

  10. Can health professionals learn qualitative evaluation methods on the World Wide Web? A case example.

    PubMed

    Steckler, A; Farel, A; Bontempi, J B; Umble, K; Polhamus, B; Trester, A

    2001-12-01

    The Enhancing Data Utilization Skills through Information Technology (EDUSIT) project trained Maternal and Child Health professionals to collect, analyze and interpret data via a year-long web-based course. The overall goal of the project was to strengthen the technology and analytic skills of the public health workforce. This article describes and analyzes a web-based module for training public health professionals to use qualitative research and evaluation methods that was one of six offered within the EDUSIT project. The qualitative module consisted of six units: overview of qualitative methods, planning qualitative studies, conducting field observations, qualitative interviewing, analyzing qualitative data and presenting qualitative findings. Evaluation results found no statistically significant changes in specific knowledge or beliefs about qualitative methods. However, the change in participants' self-efficacy was statistically significant. Participants' self-reports also showed significant changes in perceived skill levels in 'collecting qualitative data through an interview' and 'analyzing and interpreting qualitative data'. Most participants rated each lesson within the qualitative methods module as valuable, and most found the teaching methods used satisfactory, emphasizing the value of both the didactic teaching and the practical exercises and team project. The most common difficulty reported was finding the time to complete the module requirements while also working full-time. Implications of these findings for web-based teaching of public health professionals are discussed. PMID:11780711

  11. Mouse ENU Mutagenesis to Understand Immunity to Infection: Methods, Selected Examples, and Perspectives

    PubMed Central

    Caignard, Grégory; Eva, Megan M.; van Bruggen, Rebekah; Eveleigh, Robert; Bourque, Guillaume; Malo, Danielle; Gros, Philippe; Vidal, Silvia M.

    2014-01-01

    Infectious diseases are responsible for over 25% of deaths globally, but many more individuals are exposed to deadly pathogens. The outcome of infection results from a set of diverse factors including pathogen virulence factors, the environment, and the genetic make-up of the host. The completion of the human reference genome sequence in 2004 along with technological advances have tremendously accelerated and renovated the tools to study the genetic etiology of infectious diseases in humans and its best characterized mammalian model, the mouse. Advancements in mouse genomic resources have accelerated genome-wide functional approaches, such as gene-driven and phenotype-driven mutagenesis, bringing to the fore the use of mouse models that reproduce accurately many aspects of the pathogenesis of human infectious diseases. Treatment with the mutagen N-ethyl-N-nitrosourea (ENU) has become the most popular phenotype-driven approach. Our team and others have employed mouse ENU mutagenesis to identify host genes that directly impact susceptibility to pathogens of global significance. In this review, we first describe the strategies and tools used in mouse genetics to understand immunity to infection with special emphasis on chemical mutagenesis of the mouse germ-line together with current strategies to efficiently identify functional mutations using next generation sequencing. Then, we highlight illustrative examples of genes, proteins, and cellular signatures that have been revealed by ENU screens and have been shown to be involved in susceptibility or resistance to infectious diseases caused by parasites, bacteria, and viruses. PMID:25268389

  12. Study on the interaction of Co (III) DiAmsar with serum albumins: Spectroscopic and molecular docking methods

    NASA Astrophysics Data System (ADS)

    Farahani, Bahman Vasheghani; Bardajee, Ghasem Rezanejade; Rajabi, Farzaneh Hosseinpour; Hooshyar, Zari

    2015-01-01

    This study was designed to examine the interaction of cobalt-3,6,10,13,16,19-hexaazabicyclo[6.6.6]eicosane-1,8-diamine (Co(III) DiAmsar) as a hexadentate ligand with human serum albumin (HSA) and bovine serum albumin (BSA) under physiological conditions in Tris-HCl buffer solution at pH 7.4. To this aim, at first, Co (III) DiAmsar was synthesized and characterized by nuclear magnetic resonance (NMR), and mass spectroscopy and then its interaction with HSA and BSA was investigated by means of various spectroscopic methods (Fourier transform infrared (FT-IR), UV-visible (UV-vis), fluorescence, and cyclic voltammetry (CV)) and molecular docking technique. The results of fluorescence titration revealed that the Co (III) DiAmsar strongly quench the intrinsic fluorescence of HSA and BSA through a static quenching procedure. Binding constants (Ka) and the number of binding sites (n ? 1) were calculated using Stern-Volmer equations. The ?G parameters at different temperatures were calculated. Subsequently, the values of ?H and ?S were also calculated, which revealed that the van der Waals and hydrogen bonding interaction splay a major role in Co (III) DiAmsar-HSA and Co (III) DiAmsar-BSA associations. The distance r between donor (HSA and BSA) and acceptor (Co (III) DiAmsar) was obtained according to fluorescence resonance energy transfer. The data obtained by the molecular modeling study revealed the surrounding residues of HSA and BSA around Co (III) DiAmsar.

  13. Methods of Fitting a Straight Line to Data: Examples in Water Resources

    USGS Publications Warehouse

    Hirsch, Robert M.; Gilroy, Edward J.

    1984-01-01

    Three methods of fitting straight lines to data are described and their purposes are discussed and contrasted in terms of their applicability in various water resources contexts. The three methods are ordinary least squares (OLS), least normal squares (LNS), and the line of organic correlation (OC). In all three methods the parameters are based on moment statistics of the data. When estimation of an individual value is the objective, OLS is the most appropriate. When estimation of many values is the objective and one wants the set of estimates to have the appropriate variance, then OC is most appropriate. When one wishes to describe the relationship between two variables and measurement error is unimportant, then OC is most appropriate. Where the error is important in descriptive problems or in calibration problems, then structural analysis techniques may be most appropriate. Finally, if the problem is one of describing some geographic trajectory, then LNS is most appropriate.

  14. Some illustrative examples of the use of a spectral-element method in ocean acoustics.

    PubMed

    Cristini, Paul; Komatitsch, Dimitri

    2012-03-01

    Some numerical results in the time domain obtained with the spectral-element method are presented in order to illustrate the high potential of this technique for modeling the propagation of acoustic waves in the ocean in complex configurations. A validation for a simple configuration with a known solution is shown, followed by some simulations of the propagation of acoustic waves over different types of ocean bottoms (fluid, elastic, and porous) to emphasize the wide variety of media that can be considered within the framework of this method. Finally, a movie illustrating upslope propagation over a viscoelastic wedge is presented and discussed. PMID:22423813

  15. Near-infrared diode laser based spectroscopic detection of ammonia: a comparative study of photoacoustic and direct optical absorption methods

    NASA Technical Reports Server (NTRS)

    Bozoki, Zoltan; Mohacsi, Arpad; Szabo, Gabor; Bor, Zsolt; Erdelyi, Miklos; Chen, Weidong; Tittel, Frank K.

    2002-01-01

    A photoacoustic spectroscopic (PAS) and a direct optical absorption spectroscopic (OAS) gas sensor, both using continuous-wave room-temperature diode lasers operating at 1531.8 nm, were compared on the basis of ammonia detection. Excellent linear correlation between the detector signals of the two systems was found. Although the physical properties and the mode of operation of both sensors were significantly different, their performances were found to be remarkably similar, with a sub-ppm level minimum detectable concentration of ammonia and a fast response time in the range of a few minutes.

  16. Monte Carlo method for determining earthquake recurrence parameters from short paleoseismic catalogs: Example calculations for California

    USGS Publications Warehouse

    Parsons, T.

    2008-01-01

    Paleoearthquake observations often lack enough events at a given site to directly define a probability density function (PDF) for earthquake recurrence. Sites with fewer than 10-15 intervals do not provide enough information to reliably determine the shape of the PDF using standard maximum-likelihood techniques (e.g., Ellsworth et al., 1999). In this paper I present a method that attempts to fit wide ranges of distribution parameters to short paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most likely recurrence PDF parameters, and a ranked distribution of parameters is returned that can be used to assess uncertainties in hazard calculations. In tests on short synthetic earthquake series, the method gives results that cluster around the mean of the input distribution, whereas maximum likelihood methods return the sample means (e.g., NIST/SEMATECH, 2006). For short series (fewer than 10 intervals), sample means tend to reflect the median of an asymmetric recurrence distribution, possibly leading to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach may be useful for assessing recurrence from limited paleoearthquake records. Further, the degree of functional dependence among parameters like mean recurrence interval and coefficient of variation can be established. The method is described for use with time-independent and time-dependent PDFs, and results from 19 paleoseismic sequences on strike-slip faults throughout the state of California are given.

  17. Monte Carlo Method for Determining Earthquake Recurrence Parameters from Short Paleoseismic Catalogs: Example Calculations for California

    USGS Publications Warehouse

    Parsons, Tom

    2008-01-01

    Paleoearthquake observations often lack enough events at a given site to directly define a probability density function (PDF) for earthquake recurrence. Sites with fewer than 10-15 intervals do not provide enough information to reliably determine the shape of the PDF using standard maximum-likelihood techniques [e.g., Ellsworth et al., 1999]. In this paper I present a method that attempts to fit wide ranges of distribution parameters to short paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most likely recurrence PDF parameters, and a ranked distribution of parameters is returned that can be used to assess uncertainties in hazard calculations. In tests on short synthetic earthquake series, the method gives results that cluster around the mean of the input distribution, whereas maximum likelihood methods return the sample means [e.g., NIST/SEMATECH, 2006]. For short series (fewer than 10 intervals), sample means tend to reflect the median of an asymmetric recurrence distribution, possibly leading to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach may be useful for assessing recurrence from limited paleoearthquake records. Further, the degree of functional dependence among parameters like mean recurrence interval and coefficient of variation can be established. The method is described for use with time-independent and time-dependent PDF?s, and results from 19 paleoseismic sequences on strike-slip faults throughout the state of California are given.

  18. Monte Carlo method for determining earthquake recurrence parameters from short paleoseismic catalogs: Example calculations

    E-print Network

    Monte Carlo method for determining earthquake recurrence parameters from short paleoseismic paleoseismic series. From repeated Monte Carlo draws, it becomes possible to quantitatively estimate most to an overestimate of the hazard should they be used in probability calculations. Therefore a Monte Carlo approach

  19. Methods for Streamlining Intervention Fidelity Checklists: An Example from the Chronic Disease Self-Management Program

    PubMed Central

    Ahn, SangNam; Smith, Matthew Lee; Altpeter, Mary; Belza, Basia; Post, Lindsey; Ory, Marcia G.

    2015-01-01

    Maintaining intervention fidelity should be part of any programmatic quality assurance (QA) plan and is often a licensure requirement. However, fidelity checklists designed by original program developers are often lengthy, which makes compliance difficult once programs become widely disseminated in the field. As a case example, we used Stanford’s original Chronic Disease Self-Management Program (CDSMP) fidelity checklist of 157 items to demonstrate heuristic procedures for generating shorter fidelity checklists. Using an expert consensus approach, we sought feedback from active master trainers registered with the Stanford University Patient Education Research Center about which items were most essential to, and also feasible for, assessing fidelity. We conducted three sequential surveys and one expert group-teleconference call. Three versions of the fidelity checklist were created using different statistical and methodological criteria. In a final group-teleconference call with seven national experts, there was unanimous agreement that all three final versions (e.g., a 34-item version, a 20-item version, and a 12-item version) should be made available because the purpose and resources for administering a checklist might vary from one setting to another. This study highlights the methodology used to generate shorter versions of a fidelity checklist, which has potential to inform future QA efforts for this and other evidence-based programs (EBP) for older adults delivered in community settings. With CDSMP and other EBP, it is important to differentiate between program fidelity as mandated by program developers for licensure, and intervention fidelity tools for providing an “at-a-glance” snapshot of the level of compliance to selected program indicators. PMID:25964941

  20. Results of Bayesian methods depend on details of implementation: An example of estimating salmon escapement goals

    USGS Publications Warehouse

    Adkison, M.D.; Peterman, R.M.

    1996-01-01

    Bayesian methods have been proposed to estimate optimal escapement goals, using both knowledge about physical determinants of salmon productivity and stock-recruitment data. The Bayesian approach has several advantages over many traditional methods for estimating stock productivity: it allows integration of information from diverse sources and provides a framework for decision-making that takes into account uncertainty reflected in the data. However, results can be critically dependent on details of implementation of this approach. For instance, unintended and unwarranted confidence about stock-recruitment relationships can arise if the range of relationships examined is too narrow, if too few discrete alternatives are considered, or if data are contradictory. This unfounded confidence can result in a suboptimal choice of a spawning escapement goal.

  1. Quantification of electron microprobe compositional maps of rock thin sections: an optimized method and examples

    Microsoft Academic Search

    V. DE ANDRADE; O. VIDAL; E. LEWIN; P. O'BRIEN; P. AGARD

    Quantification of discrete pressure-temperature domains in deformed chlorite + white mica-bearing metapelites was undertaken on mineral compositions derived by two-dimensional microprobe compositional mapping of selected areas of rock thin sections. In order to achieve compositional information at sufficient analytical precision, spatial resolution and sample coverage within a typical analysis time of 1 day, an optimization of measurement methods was necessary.

  2. Traditional and modern plant breeding methods with examples in rice (Oryza sativa L.).

    PubMed

    Breseghello, Flavio; Coelho, Alexandre Siqueira Guedes

    2013-09-01

    Plant breeding can be broadly defined as alterations caused in plants as a result of their use by humans, ranging from unintentional changes resulting from the advent of agriculture to the application of molecular tools for precision breeding. The vast diversity of breeding methods can be simplified into three categories: (i) plant breeding based on observed variation by selection of plants based on natural variants appearing in nature or within traditional varieties; (ii) plant breeding based on controlled mating by selection of plants presenting recombination of desirable genes from different parents; and (iii) plant breeding based on monitored recombination by selection of specific genes or marker profiles, using molecular tools for tracking within-genome variation. The continuous application of traditional breeding methods in a given species could lead to the narrowing of the gene pool from which cultivars are drawn, rendering crops vulnerable to biotic and abiotic stresses and hampering future progress. Several methods have been devised for introducing exotic variation into elite germplasm without undesirable effects. Cases in rice are given to illustrate the potential and limitations of different breeding approaches. PMID:23551250

  3. CD Spectroscope

    NSDL National Science Digital Library

    2012-06-26

    In this activity, learners use an old CD to construct a spectroscope, a device that separates light into its component colors. Learners will hold it up to various light sources to examine how different light has different color strengths. Use this activity to introduce learners to the color spectrum and the tools scientists use to study it.

  4. Revisiting the Accelerating Moment Release method: examples of application to Italian seismic sequences

    NASA Astrophysics Data System (ADS)

    De Santis, Angelo; Di Giovambattista, Rita; Cianchini, Gianfranco

    2015-04-01

    From simple considerations we propose a revision of the Accelerating Moment Release (AMR) methodology for improving our knowledge of seismic sequences and then, hopefully in a close future, to reach the capability of predicting the main-shock location and occurrence with sufficient accuracy. The proposed revision is based on the introduction of a "reduced" Benioff strain for the earthquakes of the seismic sequence where, for the same magnitude and after a certain distance from the main-shock epicentre, the closer the events the more they are weighted. In addition, we retain the usual expressions proposed by the ordinary AMR method for the estimation of the corresponding main-shock magnitude, although this parameter is the weakest of the analysis. Then, we apply the revised method (that we call Revised AMR, or shortly R-AMR) to four case studies in Italy, three of which are the most recent seismic sequences of the last 9 years culminating with a shallow main-shock, and one is instead a 1995-1996 swarm with no significant main-shock. The application of the R-AMR methodology provides the best results in detecting the precursory seismic acceleration, when compared with those found by ordinary AMR technique. We verify also the stability of the results in space, applying the analysis to real data with moving circles in a large area around each mainshock epicentre, and the efficiency of the revised technique in time, comparing the results with those obtained when applying the same analysis to simulated seismic sequences.

  5. Utilising a collective case study system theory mixed methods approach: a rural health example

    PubMed Central

    2014-01-01

    Background Insight into local health service provision in rural communities is limited in the literature. The dominant workforce focus in the rural health literature, while revealing issues of shortage of maldistribution, does not describe service provision in rural towns. Similarly aggregation of data tends to render local health service provision virtually invisible. This paper describes a methodology to explore specific aspects of rural health service provision with an initial focus on understanding rurality as it pertains to rural physiotherapy service provision. Method A system theory-case study heuristic combined with a sequential mixed methods approach to provide a framework for both quantitative and qualitative exploration across sites. Stakeholder perspectives were obtained through surveys and in depth interviews. The investigation site was a large area of one Australian state with a mix of rural, regional and remote communities. Results 39 surveys were received from 11 locations within the investigation site and 19 in depth interviews were conducted. Stakeholder perspectives of rurality and workforce numbers informed the development of six case types relevant to the exploration of rural physiotherapy service provision. Participant perspective of rurality often differed with the geographical classification of their location. The numbers of onsite colleagues and local access to health services contributed to participant perceptions of rurality. Conclusions The complexity of understanding the concept of rurality was revealed by interview participants when providing their perspectives about rural physiotherapy service provision. Dual measures, such as rurality and workforce numbers, provide more relevant differentiation of sites to explore specific services, such rural physiotherapy service provision, than single measure of rurality as defined by geographic classification. The system theory-case study heuristic supports both qualitative and quantitative exploration in rural health services research. PMID:25066241

  6. A REVISED METHOD FOR ESTIMATING OXIDE BASICITY PER THE SMITH SCALE WITH EXAMPLE APPLICATION TO GLASS DURABILITY

    SciTech Connect

    REYNOLDS JG

    2011-07-27

    Previous researchers have developed correlations between oxide electronegativity and oxide basicity. The present paper revises those correlations using a newer method of calculating electronegativity of the oxygen anion. Basicity is expressed using the Smith {alpha} parameter scale. A linear relation was found between the oxide electronegativity and the Smith {alpha} parameter, with an R{sup 2} of 0.92. An example application of this new correlation to the durability of high-level nuclear waste glass is demonstrated. The durability of waste glass was found to be directly proportional to the quantity and basicity of the oxides of tetrahedrally coordinated network forming ions.

  7. A revised method for estimating oxide basicity per the smith scale, with example application to glass durability

    NASA Astrophysics Data System (ADS)

    Reynolds, Jacob G.

    2011-09-01

    Previous researchers have developed correlations between oxide electronegativity and oxide basicity. The present paper revises those correlations using a newer method of calculating electronegativity of the oxygen anion. Basicity is expressed using the Smith ? parameter scale. A linear relation was found between the oxide electronegativity and the Smith ? parameter, with an R 2 of 0.92. An example application of this new correlation to the durability of high-level nuclear waste glass is demonstrated. The durability of waste glass was found to be directly proportional to the quantity and basicity of the oxides of tetrahedrally coordinated network forming ions.

  8. Using new luminescence methods to date the Palaeolithic: the example of Kalambo Falls

    NASA Astrophysics Data System (ADS)

    Duller, Geoff; Tooth, Stephen; Barham, Larry

    2013-04-01

    The Palaeolithic site of Kalambo Falls in the north of Zambia was the subject of detailed study by J.D. Clark in the 1950s with 4 excavations being located within 1 km of each other in a basin upstream of the falls. A rich palaeolithic tool record was recovered, but the value of this record was limited by the lack of chronological information available. In 2006, one of the excavation sites was re-investigated (Barham et al., 2009), including examination of the stratigraphic context and collection of samples for luminescence dating. Many of the sediments in the Kalambo basin were deposited by fluvial activity. Dose distributions in the single grain quartz optically stimulated luminescence (OSL) measurements of the youngest sediments are consistent with incomplete bleaching. However, the residual doses obtained are typically less than 10 Gy, and so for older sediments the impact of incomplete bleaching becomes insignificant. The oldest samples are affected by a different problem, namely saturation of the OSL signal, and many grains are saturated. However in all cases some grains give finite equivalent dose values, making it feasible to calculate single grain quartz OSL ages, but it is difficult to assess whether these ages are reliable or not. Thermally transferred OSL (TT-OSL) from quartz is able to date much older samples due to the high saturation dose of this signal (Duller and Wintle, 2012). Comparison of the TT-OSL and OSL demonstrates that the OSL signal yields age underestimates as samples near saturation. Only by using the two luminescence methods is it possible to create an absolute chronology for this key site stretching back over half a million years. This study demonstrates the potential of using these two luminescence signals together for dating Palaeolithic sites throughout Africa and beyond. Barham, L., Duller, G. A. T., Plater, A. J., Tooth, S. and Turner, S. (2009). Recent excavations at Kalambo Falls, Zambia. Antiquity 83(322). Duller, G. A. T. and Wintle, A. G. (2012). The potential of the thermally transferred optically stimulated luminescence signal from quartz for dating sediments. Quaternary Geochronology 7: 6-20.

  9. Local versus average structure around cations in minerals from spectroscopic and diffraction measurements

    Microsoft Academic Search

    L. Galoisy

    1996-01-01

    The average structure determined from diffraction data often differs from the local information gained from spectroscopic methods. Three kinds of examples are illustrated in this paper. Binary solid solutions show that Vegard law is not observed at the atomic scale due to relaxation processes during atomic substitution. The non-random intracrystalline distribution of transition elements, which cannot be obtained from diffraction,

  10. Nd3+-doped Lu2O3 transparent sesquioxide ceramics elaborated by the Spark Plasma Sintering (SPS) method. Part 1: Structural, thermal conductivity and spectroscopic characterization

    NASA Astrophysics Data System (ADS)

    Alombert-Goget, G.; Guyot, Y.; Guzik, M.; Boulon, G.; Ito, A.; Goto, T.; Yoshikawa, A.; Kikuchi, M.

    2015-03-01

    We report the detailed analysis of both structural characterization by SEM, thermal conductivity of high value and high resolution spectroscopic properties of Nd3+-doped Lu2O3 transparent ceramics fabricated by the non-conventional SPS method. The emission spectra of the main C2 site shows two close 4F3/2 ? 4I11/2 laser lines at 1076.3 and 1080.5 nm, respectively. The optical properties of the two C2 and C3i sites and of C2-C3i and C2-C2 Nd3+ pairs have especially been analyzed.

  11. Spectroscopic detection

    DOEpatents

    Woskov, Paul P. (Bedford, MA); Hadidi, Kamal (Cambridge, MA)

    2003-01-01

    In embodiments, spectroscopic monitor monitors modulated light signals to detect low levels of contaminants and other compounds in the presence of background interference. The monitor uses a spectrometer that includes a transmissive modulator capable of causing different frequency ranges to move onto and off of the detector. The different ranges can include those with the desired signal and those selected to subtract background contributions from those with the desired signal. Embodiments of the system are particularly useful for monitoring metal concentrations in combustion effluent.

  12. Organic matter characterization by infrared spectroscopic methods in lake sediment records from boreal and subarctic Sweden: Implications for long-term carbon cycling

    NASA Astrophysics Data System (ADS)

    Meyer-Jacob, Carsten; Rosén, Peter; Bindler, Richard

    2013-04-01

    Freshwater systems play an important role in the global carbon cycle. In this dynamic system, inorganic and organic carbon can be incorporated into biota, effluxed to the atmosphere or accumulated in sediments. The amount and composition of the carbon, derived from both aquatic and terrestrial sources, accumulated in sediments depend on the climatic and environmental conditions present in the lake and its catchment, and are thus sensitive to changes in, e.g., temperature, precipitation, vegetation and hydrological flow patterns. In this study, we show the application of infrared spectroscopic methods to qualitatively and quantitatively characterize organic matter stored in lake sediments with a focus on changes in the source of terrestrial-derived organic matter. Infrared spectroscopic methods facilitate a fast, cost-efficient and non-destructive analysis of minerogenic as well as organic sediment components. We applied three different infrared spectroscopic analyses - visible-near infrared spectroscopy (VNIRS; 25000-4000 cm-1), Fourier-transform infrared spectroscopy in the mid-IR region (FTIR; 3750-400 cm-1) and a combined Fourier-transformed infrared - thermal programmed desorption technique (FTIR-TPD; 3750-400 cm-1) - to Holocene sediment records from two Swedish lakes, Lång-Älgsjön and Lake Koukkel, to reconstruct past changes in the organic matter composition. The infrared spectral information of these records indicate sections of different organic matter composition reflecting varying stages of the lake and landscape development. An early-Holocene mire development around the boreal lake Lång-Älgsjön led to an increased input of organic matter from the catchment into the lake initiating an early natural lake acidification, whereas the subarctic Lake Koukkel has been affected by mire and potentially late-Holocene permafrost dynamics, which caused an increased and less variable input of allochthonous organic matter. Overall, variations in organic matter composition seem mainly driven by changes in the landscape rather than any direct effects of successive climate changes. Our findings emphasize that infrared spectroscopic methods are a promising tool for the fast and cost-effective characterization of organic matter in sediment samples, particularly with regard to the detection of qualitative differences between samples. An improved understanding of past variations in the organic matter composition and the related processes driving these changes is essential to further understand the interactions in the carbon cycle between the terrestrial and aquatic systems.

  13. Spectroscopic Infrared Ellipsometry

    E-print Network

    Eindhoven, Technische Universiteit

    Spectroscopic Infrared Ellipsometry: Components, Calibration, and Application #12;CIP-DATA KONINKLIJKE BIBLIOTHEEK, DEN HAAG Boer, Johannes Henricus Wilhelmus Gerardus den Spectroscopic Infrared in Dutch. ISBN 90 386 0017 8 Subject headings: spectroscopy ellipsometry infrared. #12;Spectroscopic

  14. Investigation of a half-wave method for birefringence or thickness measurements of a thick, semitransparent, uniaxial, anisotropic substrate by use of spectroscopic ellipsometry.

    PubMed

    Kildemo, M; Mooney, M; Sudre, C; Kelly, P V

    2000-09-01

    A half-wave method of measurement of wafer birefringence that is based on interference fringes recorded from a uniaxial wafer by use of a standard phase-modulated spectroscopic ellipsometer is investigated. The birefringence of uniaxial wafers is calculated from the extremal points in the recorded oscillating intensities. A formalism is developed to incorporate the change in birefringence with wavelength as a correction factor. The correction explains the overestimation of the birefringence from previous similar research on thick uniaxial sapphire substrates. The enhanced derivative of the birefringence that is due to polarization-dependent intraconduction band transitions is detected. Furthermore, for well-characterized wafers it is shown that this method can be used in wafer-thickness mapping of 4H-SiC and similar uniaxial high-bandgap semiconductors. PMID:18350056

  15. A Single Chiroptical Spectroscopic Method May Not Be Able To Establish the Absolute Configurations of Diastereomers: Dimethylesters of Hibiscus and Garcinia Acids

    PubMed Central

    Polavarapu, Prasad L.; Donahue, Emily A.; Shanmugam, Ganesh; Scalmani, Giovanni; Hawkins, Edward K.; Rizzo, Carmelo; Ibnusaud, Ibrahim; Thomas, Grace; Habel, Deenamma; Sebastian, Dellamol

    2013-01-01

    Electronic circular dichroism (ECD), optical rotatory dispersion (ORD), and vibrational circular dichroism (VCD) spectra of hibiscus acid dimethyl ester have been measured and analyzed in combination with quantum chemical calculations of corresponding spectra. These results, along with those reported previously for garcinia acid dimethyl ester, reveal that none of these three (ECD, ORD, or VCD) spectroscopic methods, in isolation, can unequivocally establish the absolute configurations of diastereomers. This deficiency is eliminated when a combined spectral analysis of either ECD and VCD or ORD and VCD methods is used. It is also found that the ambiguities in the assignment of absolute configurations of diastereomers may also be overcome when unpolarized vibrational absorption is included in the spectral analysis. PMID:21568330

  16. Exploration of binding of bisphenol A and its analogues with calf thymus DNA by optical spectroscopic and molecular docking methods.

    PubMed

    Wang, Yan-Qing; Zhang, Hong-Mei

    2015-08-01

    Bisphenol A and its analogues have carcinogenic potentials and toxicities. However, there are lacks of studies elucidating gene toxic interactions of bisphenols with DNA. In this work, the binding modes of five bisphenol compounds with calf thymus DNA were characterized. The multi-spectroscopic experimental results indicated that the fluorescence quenching of bisphenols by calf thymus DNA point to groove binding. The ultraviolet visible and circular dichroism spectral data displayed that bisphenols partly induced conformational changes of calf thymus DNA. In addition, the binding constants of bisphenol A, diphenolic acid, bisphenol AF, bisphenol AP, bisphenol fluorine with calf thymus DNA obtained from fluorescence emission spectra were 1.09×10(4), 3.65×10(4), 4.46×10(4), 1.69×10(4), 4.49×10(4)Lmol(-1) at 298.15K, which indicated that the multi-noncovalent binding forces were involved in the binding processes. In silico investigations indicated that DNA has the preferable binding sites binding with bisphenols by minor groove binding and electrons transfer from DNA bases to bisphenols occurred. In addition, the structural differences of these five bisphenols partly affected the binding ability of them with DNA. PMID:26026682

  17. Extraction of weak PcP phases using the slant-stacklet transform - I: method and examples

    NASA Astrophysics Data System (ADS)

    Ventosa, Sergi; Romanowicz, Barbara

    2015-04-01

    In order to study fine scale structure of the Earth's deep interior, it is necessary to extract generally weak body wave phases from seismograms that interact with various discontinuities and heterogeneities. The recent deployment of large-scale dense arrays providing high-quality data, in combination with efficient seismic data processing techniques, may provide important and accurate observations over large portions of the globe poorly sampled until now. Major challenges are low signal-to-noise ratios (SNR) and interference with unwanted neighbouring phases. We address these problems by introducing scale-dependent slowness filters that preserve time-space resolution. We combine complex wavelet and slant-stack transforms to obtain the slant-stacklet transform. This is a redundant high-resolution directional wavelet transform with a direction (here slowness) resolution that can be adapted to the signal requirements. To illustrate this approach, we use this expansion to design coherence-driven filters that allow us to obtain clean PcP observations (a weak phase often hidden in the coda of the P wave), for events with magnitude Mw > 5.4 and distances up to 80°. In this context, we then minimize a linear misfit between P and PcP waveforms to improve the quality of PcP-P traveltime measurements as compared to a standard cross-correlation method. This significantly increases both the quantity and the quality of PcP-P differential traveltime measurements available for the modelling of structure near the core-mantle boundary. The accuracy of our measurements is limited mainly by the highest frequencies of the signals used and the level of noise. We apply this methodology to two examples of high-quality data from dense arrays located in north America. While focusing here on body-wave separation, the tools we propose are more general and may contribute to enhancing seismic signal observations in global seismology in situations of low SNR and high signal interference.

  18. Exploration of Porphyrin-based Semiconductors for Negative Charge Transport Applications Using Synthetic, Spectroscopic, Potentiometric, Magnetic Resonance, and Computational Methods

    NASA Astrophysics Data System (ADS)

    Rawson, Jeffrey Scott

    Organic pi-conjugated materials are emerging as commercially relevant components in electronic applications that include transistors, light-emitting diodes, and solar cells. One requirement common to all of these functions is an aptitude for accepting and transmitting charges. It is generally agreed that the development of organic semiconductors that favor electrons as the majority carriers (n-type) lags behind the advances in hole transporting (p-type) materials. This shortcoming suggests that the design space for n-type materials is not yet well explored, presenting researchers with the opportunity to develop unconventional architectures. In this regard, it is worth noting that discrete molecular materials are demonstrating the potential to usurp the preeminent positions that pi-conjugated polymers have held in these areas of organic electronics research. This dissertation describes how an extraordinary class of molecules, meso-to-meso ethyne-bridged porphyrin arrays, has been bent to these new uses. Chapter one describes vis-NIR spectroscopic and magnetic resonance measurements revealing that these porphyrin arrays possess a remarkable aptitude for the delocalization of negative charge. In fact, the miniscule electron-lattice interactions exhibited in these rigid molecules allow them to host the most vast electron-polarons ever observed in a pi-conjugated material. Chapter two describes the development of an ethyne-bridged porphyrin-isoindigo hybrid chromophore that can take the place of fullerene derivatives in the conventional thin film solar cell architecture. Particularly noteworthy is the key role played by the 5,15-bis(heptafluoropropyl)porphyrin building block in the engineering of a chromophore that, gram for gram, is twice as absorptive as poly(3-hexyl)thiophene, exhibits a lower energy absorption onset than this polymer, and yet possesses a photoexcited singlet state sufficiently energetic to transfer a hole to this polymer. Chapter three describes synthetic efforts that expand the repertoire of readily available meso-heptafluoropropyl porphyrin building blocks. The findings suggest that the remaining challenges to the exploitation of these pigments will be overcome by a sufficiently firm grasp of their subtle electronic structures, and a willingness to eschew the customary strategies of chromophore assembly.

  19. Study on the site selection of logistics park based on the AHP method: Take Jiaozuo city for an example

    Microsoft Academic Search

    Zhongmei Guan; Hongwu Niu

    2011-01-01

    In order to provide the planning basis and explore the best layout program for logistics park layout, this paper takes Jiaozuo city as an example and selects several factors, such as position, facilities, function and development potential to design a comprehensive evaluation indicator system in site selection of logistics park with the GIS platform, and then At last, the paper

  20. Gueudet, G., & Trouche, L. (2011). Mathematics teacher education advanced methods: an example in dynamic geometry. ZDM, the international journal on mathematics education, 43(3), 399-411.

    E-print Network

    Brest, Université de

    2011-01-01

    Gueudet, G., & Trouche, L. (2011). Mathematics teacher education advanced methods: an example in dynamic geometry. ZDM, the international journal on mathematics education, 43(3), 399-411. Mathematics-based learning and teaching, Mathematics teacher education; Training path. 1 hal-00605493,version1-11Jul2013

  1. Example Resumes

    NSDL National Science Digital Library

    This resource, created by the ATE National Resource Center, provides sample resumes for those in the field of engineering. The resource provides sample resumes in chemical engineering, civil engineering, computer technology, electronic engineering technology, information technology and graphic design. For more generic examples, the site provides two chronological resumes, two functional resumes, a hybrid resume and a resume for recent graduates. Additionally, example cover letters are also provided. This is a great resource for those looking to either create or simply enhance their current resumes. The site caters towards those in the field of engineering but could also be used across different disciplines. All resumes are formatted as pdf files.

  2. Multi-spectroscopic method study the interaction of anti-inflammatory drug ketoprofen and calf thymus DNA and its analytical application

    NASA Astrophysics Data System (ADS)

    Guo, Hongqin; Cai, Changqun; Gong, Hang; Chen, Xiaoming

    2011-06-01

    Interactions of the anti-inflammatory drug ketoprofen with calf thymus DNA (ctDNA) in aqueous solution have been studied by multi-spectroscopic method including resonance light scattering (RLS) technique, ultraviolet spectra (UV), 1H NMR, etc. The characteristics of RLS spectra, the effective factors and optimum conditions of the reaction have been unequivocally investigated. Mechanism investigations have shown that ketoprofen can bind to ctDNA by groove binding and form large particles, which resulted in the enhancement of RLS intensity. In Critic acid-Na 2HPO 4 buffer (pH = 6.5), ketoprofen has a maximum peak 451.5 nm and the RLS intensity is remarkably enhanced by trace amount of ctDNA due to the interaction between ketoprofen and ctDNA. The enhancement of RLS signal is directly proportional to the concentration of ctDNA in the range of 1.20 × 10 -6-1.0 × 10 -5 mol/L, and its detection limit (3 ?) is 1.33 × 10 -9 mol/L. The method is simple, rapid, practical and relatively free from interference generated by coexisting substance, and was applied to the determination of trace amounts of nucleic acid in synthetic samples with satisfactory results.

  3. Improved method to visualize lipid distribution within arterial vessel walls by 1.7 ?m spectroscopic spectral-domain optical coherence tomography

    NASA Astrophysics Data System (ADS)

    Hirano, Mitsuharu; Tonosaki, Shozo; Ueno, Takahiro; Tanaka, Masato; Hasegawa, Takemi

    2014-02-01

    We report an improved method to visualize lipid distribution in axial and lateral direction within arterial vessel walls by spectroscopic spectral-domain Optical Coherence Tomography (OCT) at 1.7?m wavelength for identification of lipidrich plaque that is suspected to cause coronary events. In our previous method, an extended InGaAs-based line camera detects an OCT interferometric spectrum from 1607 to 1766 nm, which is then divided into twenty subbands, and A-scan OCT profile is calculated for each subband, resulting in a tomographic spectrum. This tomographic spectrum is decomposed into lipid spectrum having an attenuation peak at 1730 nm and non-lipid spectrum independent of wavelength, and the weight of each spectrum, that is, lipid and non-lipid score is calculated. In this paper, we present an improved algorithm, in which we have combined the lipid score and the non-lipid score to derive a corrected lipid score. We have found that the corrected lipid score is better than the raw lipid score in that the former is more robust against false positive occurring due to abrupt change in reflectivity at vessel surface. In addition, we have optimized spatial smoothing filter and reduced false positive and false negative due to detection noise and speckle. We have verified this improved algorithm by the use of measuring data of normal porcine coronary artery and lard as a model of lipid-rich plaque and confirmed that both the sensitivity and the specificity of lard are 92%.

  4. Testing Examples: A Guide.

    ERIC Educational Resources Information Center

    Bist, Gary

    1995-01-01

    Shows how and why errors get introduced into examples in computer software documentation and what actions technical communicators can take to minimize this occurrence. Proposes a method to test examples. Suggests that technical writers can avoid these sources of error by creating and implementing a good test plan, maintaining and updating the…

  5. Reflectance near-infrared spectroscopic method with Chemometric techniques for simultaneous determination of Chondroitin, glucosamine, and methyl sulfonyl methane.

    PubMed

    El-Gindy, Alaa; Attia, Khalid Abdel-Salam; Nassar, Mohammad Wafaa; Seda, Hamed Hamed Abu; Shoeib, Maisra Al-Shabrawi

    2012-01-01

    Reflectance near-IR (RNIR) spectroscopy was used for the simultaneous determination of chondroitin (CH), glucosamine (GO), and methyl sulfonyl methane (MSM) in tablets. Simple sample preparation was done by grinding, sieving, and compression of the tablets for improving RNIR spectra. Principal component regression and partial least squares (PLS-1 and PLS-2) were successfully applied to quantify the three components in the studied mixture using information included in RNIR spectra in the range of 4350-9100 cm(-1). The calibration model was developed with drug concentration ranges of 14.5-44.2% (w/w) for CH, 18.4-55.3% (w/w) for GO, and 6-18.6% (w/w) for MSM with addition of tablet excipients to the calibration set in the same ratio as in the tested tablets. The calibration models were evaluated by internal validation, cross-validation, and external validation using synthetic and pharmaceutical preparations. The proposed method was applied for analysis of six batches of the pharmaceutical product. The results of the proposed method were compared with the results of the pharmacopoeial method for the same batch of the pharmaceutical product. No significant differences between the results were found. The RNIR method is accurate and precise, and can be used for QC of pharmaceutical products. PMID:22970568

  6. Spectroscopic Analysis of H? Dots

    NASA Astrophysics Data System (ADS)

    Feddersen, Jesse; Salzer, J. J.; Gronwall, C.

    2013-06-01

    We present spectroscopic measurements of ~200 faint point sources of emission - called H? dots - found in narrow-band images taken for the ALFALFA H? project. Our image analysis catalogs emission-line sources that are not optically associated with the target ALFALFA galaxy. Analyzing spectra of these sources, we find isolated extragalactic HII regions, ultra-low luminosity dwarf galaxies, background (higher redshift) galaxies, and QSOs. We give a summary of the photometric and spectroscopic properties of the full sample of H? dots discovered to date. We also illustrate why these objects are of astrophysical interest. For example, using coarse oxygen abundance measurements of the low luminosity dwarf galaxies, we detect signs of a possible flattening in the local Luminosity-Metallicity relation. We also find luminous [O III]-detected star-forming galaxies at z ~ 0.32 with unusually low oxygen abundances.

  7. Mass Spectroscopic Fingerprinting Method for Differentiation Between Scutellaria lateriflora and the Germander (Teucrium canadense and T. chamaedrys) Species

    PubMed Central

    Chen, Pei; Lin, Long-Ze; Harnly, James M.

    2013-01-01

    Scutellaria lateriflora, commonly known as skullcap, is used as an ingredient in numerous herbal products. However, it has been occasionally adulterated/contaminated with Teucrium canadense and T. chamaedrys, commonly known as germander, which contain hepatotoxic diterpenes. Due to the morphological similarities between the two genera, analytical methodologies to distinguish authentic S. lateriflora from the Teucrium species are needed to ensure public safety. In this study, a direct-injection electrospray ionization/MS method was used to generate spectral fingerprints of extracts from 21 skullcap and germander samples at a rate of 90 s/sample. MS fingerprints were analyzed by principal component analysis. The newly developed method offers a rapid and easy way to differentiate between skullcap and germander samples. PMID:20922946

  8. Mass spectroscopic fingerprinting method for differentiation between Scutellaria lateriflora and the germander (Teucrium canadense and T. chamaedrys) species.

    PubMed

    Chen, Pei; Lin, Long-Ze; Harnly, James M

    2010-01-01

    Scutellaria lateriflora, commonly known as skullcap, is used as an ingredient in numerous herbal products. However, it has been occasionally adulterated/contaminated with Teucrium canadense and T. chamaedrys, commonly known as germander, which contain hepatotoxic diterpenes. Due to the morphological similarities between the two genera, analytical methodologies to distinguish authentic S. lateriflora from the Teucrium species are needed to ensure public safety. In this study, a direct-injection electrospray ionization/MS method was used to generate spectral fingerprints of extracts from 21 skullcap and germander samples at a rate of 90 s/sample. MS fingerprints were analyzed by principal component analysis. The newly developed method offers a rapid and easy way to differentiate between skullcap and germander samples. PMID:20922946

  9. Electronic structure and molecular spectroscopic constants of ScN and ScP investigated by several quantum chemistry methods

    Microsoft Academic Search

    Abdelali Daoudi; Mohamed Filali Baba; Souad Elkhattabi; François Rogemond; Henry Chermette

    2003-01-01

    The electronic structure of the ScN and ScP molecules is a subject of controversy and turns out to be a challenging problem in quantum chemistry. We show that the ground-state electronic structure for both molecules depends critically on the choice of methods used which incorporate different ways of accounting for electron correlation. A parallel ab initio, DFT and TD-DFT study

  10. Atomic absorption spectroscopic, conductometric and colorimetric methods for determination of fluoroquinolone antibiotics using ammonium reineckate ion-pair complex formation

    NASA Astrophysics Data System (ADS)

    Ragab, Gamal H.; Amin, Alaa S.

    2004-03-01

    Three accurate, rapid and simple atomic absorption spectrometric, conductometric and colorimetric methods were developed for the determination of norfloxacin (NRF), ciprofloxacin (CIP), ofloxacin (OFL) and enrofloxacin (ENF). The proposed methods depend upon the reaction of ammonium reineckate with the studied drugs to form stable precipitate of ion-pair complexes, which was dissolved in acetone. The pink coloured complexes were determined either by AAS or colorimetrically at ?max 525 nm directly using the dissolved complex. Using conductometric titration, the studied drugs could be evaluated in 50% (v/v) acetone in the range 5.0-65, 4.0-48, 5.0-56 and 6.0-72 ?g ml -1 of NRF, CPF, OFL and ENF, respectively. The optimizations of various experimental conditions were described. The results obtained showed good recoveries of 99.15±1.15, 99.30±1.40, 99.60±1.50, and 99.00±1.25% with relative standard deviations of 0.81, 1.06, 0.97, and 0.69% for NRF, CPF, OFL, and ENF, respectively. Applications of the proposed methods to representative pharmaceutical formulations are successfully presented.

  11. Study on photophysical and aggregation induced emission recognition of 1,8-naphthalimide probe for casein by spectroscopic method

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Liu, Zhen; Liang, Xuhua; Fan, Jun; Han, Quan

    2013-05-01

    A novel water-soluble 1,8-naphthalimide derivative 1, bearing two acetic carboxylic groups, exhibited fluorescent turn-on recognition for casein based on the aggregation induced emission (AIE) character. The photophysical properties of 1 consisting of donor and acceptor units were investigated in different solutions. The fluorescence intensity decreased through taking advantage of twisted intramolecular charge transfer (TICT) and self-association emission with increasing solvent polarity. Moreover, the spectral red-shift and intensity quench in protic solvents were caused by the excited-state hydrogen bond strengthening effect. Density Functional Theory (DFT) calculations revealed that 1 exhibited a strong TICT character. The AIE mechanism of 1 with casein was due to 1 docked in the hydrophobic cavity between sub-micelles and bound with Tyr and Trp residues, resulting in the aggregation of 1 on the casein surface and emission enhancement. Based on this, a novel casein assay method was developed. The proposed exhibited a good linear range from 0.1 to 22 ?g mL-1, with the detection limit of 2.8 ng mL-1. Satisfactory reproducibility, reversibility and a short response time were realized. This method was applied to the determination of casein in milk powder samples and the results were in good agreement with the result of Biuret method.

  12. Spectroscopic planetary detection

    NASA Technical Reports Server (NTRS)

    Deming, Drake

    1991-01-01

    One of the most promising methods for the detection of extra-solar planets is the spectroscopic method, where a small Doppler shift (approx. 10 meter/sec) in the spectrum of the parent star reveals the presence of planetary companions. However, solar type stars may show spurious Doppler shifts due to surface activity. If these effects are periodic, as is the solar activity cycle, then they may masquerade as planetary companions. The goal of this study was to determine whether the solar cycle affects the Doppler stability of integrated sunlight. Observations of integrated sunlight were made in the near infrared (approx. 2 micron), using the Kitt Peak McMath Fourier transform spectrometer, with a N2O gas absorption cell for calibration. An accuracy of approx. 5 meter/sec was achieved.

  13. Retrieval of frequency spectrum from time-resolved spectroscopic data: comparison of Fourier transform and linear prediction methods.

    PubMed

    Eom, Intae; Yoon, Eunjin; Baik, Sung-Hoon; Lim, Yong-Sik; Joo, Taiha

    2014-12-15

    Femtosecond time-resolved signals often display oscillations arising from the nuclear and electronic wave packet motions. Fourier power spectrum is generally used to retrieve the frequency spectrum. We have shown by numerical simulations and coherent phonon spectrum of single walled carbon nanotubes (SWCNT) that the Fourier power spectrum may not be appropriate to obtain the spectrum, when the peaks overlap with varying phases. Linear prediction singular value decomposition (LPSVD) can be a good alternative for this case. We present a robust way to perform LPSVD analysis and demonstrate the method for the chirality assignment of SWCNT through the time-domain coherent phonon spectroscopy. PMID:25606997

  14. Enantioselective HPLC combined with spectroscopic methods: a valid strategy to determine the absolute configuration of potential beta-secretase inhibitors.

    PubMed

    Cirilli, Roberto; Ferretti, Rosella; La Regina, Giuseppe; Morelli, Gianluigi; Pierini, Marco; Piscitelli, Francesco; Silvestri, Romano

    2010-09-15

    A direct HPLC enantioseparation of three representative compounds of a new family of potential non-peptide beta-secretase inhibitors was performed on the immobilized Chiralpak IA chiral stationary phase. Semipreparative amounts of enantiopure forms were collected and submitted to stereochemical characterization. The absolute configuration was assigned by a multi-step methodology based on the combination of Mosher's method with circular dichroism (CD) spectroscopy. The results from the NMR/CD study fully correlated the configurational assignment obtained by a second approach involving single crystal X-ray diffraction. PMID:20801333

  15. Vibrational spectroscopic studies on 2?-3?-didehydro-2?-3?-dideoxythymidine using density functional theory method

    NASA Astrophysics Data System (ADS)

    Ramkumaar, G. R.; Srinivasan, S.; Bhoopathy, T. J.; Gunasekaran, S.; Prameena, B.

    2014-02-01

    FTIR and FT-Raman spectra of 2?-3?-didehydro-2?-3?-dideoxythymidine have been recorded and analyzed. The molecular geometry and vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimization based on density functional theory (DFT) B3LYP method with 6-31G(d,p) and 6-31++G(d,p) basis sets. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction data. The theoretical results show that the optimized geometry can well reproduce the crystal structure, and the calculated vibrational frequency values show good agreement with experimental values. A study of the electronic properties, such as HOMO and LUMO energies were performed. Mulliken charges and NBO charges of the title molecule were also calculated and interpreted. Thermogravimetric analysis has been done to study the thermal behavior of 2?-3?-didehydro-2?-3?-dideoxythymidine. The 13C nuclear magnetic resonance (NMR) chemical shift of the molecule are calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results.

  16. PNS and statistical experiments simulation in subcritical systems using Monte-Carlo method on example of Yalina-Thermal assembly

    NASA Astrophysics Data System (ADS)

    Sadovich, Sergey; Talamo, A.; Burnos, V.; Kiyavitskaya, H.; Fokov, Yu.

    2014-06-01

    In subcritical systems driven by an external neutron source, the experimental methods based on pulsed neutron source and statistical techniques play an important role for reactivity measurement. Simulation of these methods is very time-consumed procedure. For simulations in Monte-Carlo programs several improvements for neutronic calculations have been made. This paper introduces a new method for simulation PNS and statistical measurements. In this method all events occurred in the detector during simulation are stored in a file using PTRAC feature in the MCNP. After that with a special code (or post-processing) PNS and statistical methods can be simulated. Additionally different shapes of neutron pulses and its lengths as well as dead time of detectors can be included into simulation. The methods described above were tested on subcritical assembly Yalina-Thermal, located in Joint Institute for Power and Nuclear Research SOSNY, Minsk, Belarus. A good agreement between experimental and simulated results was shown.

  17. A mass spectroscopic method for analysis of AHH-inducing and other polychlorinated biphenyl congeners and selected pesticides in fish

    USGS Publications Warehouse

    Schmidt, Larry J.; Hesselberg, Robert J.

    1992-01-01

    The 209 polychlorinated biphenyl (PCB) congeners exhibit a wide range in toxicity to fish, birds, and mammals. This paper discusses the use of gas chromatography/mass spectrometry negative chemical ionization (GC/MS-NCI) to quantify congeners of highly suspected toxicity such as IUPAC #77 (3,3',4,4'-tetrachlorobiphenyl) and #126 (3,3',4,4',5-pentachlorobiphenyl). GC/MS analysis time needed to produce the necessary resolution was reduced to 1 h per sample or standard, allowing an autosampler to inject 12 samples in 24 hours, plus 12 standards/QC samples. Identification and quantification of some 60+ congeners and several selected pesticides and estimation of total PCBs are also possible within the 1 h analysis. For congeners of high chlorination (penta through octa), the method exhibited excellent sensitivity, such that we could not locate a fish which exhibited PCB levels below our calibrated quantitation range. NCI was not as sensitive for mono through tri and for some tetrachlorinated PCB congeners, an exception being PCB #77, for which sensitivity was of the same order as for the more highly chlorinated biphenyls. Long term stability was excellent. Over a 6-mo period, results of replicate analyses for PCB congeners and pesticides in a composited sample of lake trout (Salvelinus namaycush) from Lake Michigan had a relative standard deviation of 12% of the mean. Over the same time period, mean recoveries for samples spiked at concentrations similar to those in Lake Michigan lake trout were 90-102%. Response was linear over a wide range of concentrations for each of the analyzed compounds. This method is now being used for routine analysis of PCB congeners and selected pesticides in our laboratory.

  18. Spectroscopic investigations on the photodegradation of toluidine blue dye using cadmium sulphide nanoparticles prepared by a novel method

    NASA Astrophysics Data System (ADS)

    Neelakandeswari, N.; Sangami, G.; Dharmaraj, N.; Taek, Nam Ki; Kim, Hak Yong

    2011-05-01

    A novel method to prepare cadmium sulphide nanoparticles (CdS NPs) possessing nearly uniform size was adopted using eggshell membrane (ESM), under different pH conditions. Significant yield of CdS NPs with smallest possible size was obtained by increasing the pH of the reaction medium from acidic to alkaline. The above prepared CdS NPs have been characterized by UV-vis absorption as well as emission spectra, powder X-ray diffraction, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The efficiency of the above prepared CdS NPs as a catalyst for the photodegradation of toluidine blue (TB) dye, as a function of pH as well as the ratio between the catalyst and the substrate was studied after irradiation with UV light. The results showed that an efficient interaction took place between the catalyst and the substrate to cause degradation of the selected dye. A maximum degradation of toluidine blue dye (90%) was observed at pH 8 which is higher than that of the efficiencies at pH 4 and pH 6.

  19. Spectroscopic investigations on the synthesis of nano-hydroxyapatite from calcined eggshell by hydrothermal method using cationic surfactant as template

    NASA Astrophysics Data System (ADS)

    Prabakaran, K.; Rajeswari, S.

    2009-12-01

    The present work reports the successful synthesis of nano-hydroxyapatite, Ca 10(PO 4) 6(OH) 2 (denoted HAP) from calcined eggshell by hydrothermal method using cationic surfactant (CTAB) as regulator of nucleation and crystal growth. The reaction involved in the synthesis was studied elaborately. The influence of reaction temperature, ageing time and CTAB concentration on the synthesis of nano-HAP are also studied in addition to the effect of sintering temperature on the crystal growth. Spectral characterization involving Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD) techniques were performed for functional group analysis and phase identification of the materials, respectively. Thermal stability of nano-HAP was investigated by thermal analysis (TG/DTA). The physical characteristics, such as morphology and particle size of the synthesized nano-HAP were assessed thoroughly by scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques. The results have revealed that well-crystallized nano-HAP was synthesized by hydrothermal treatment at 160 °C for 10 h with the addition of CTAB at critical micelle concentration (CMC). It was also found that the synthesized nano-HAP was thermally stable up to 1100 °C.

  20. Investigation of trypsin-CdSe quantum dot interactions via spectroscopic methods and effects on enzymatic activity

    NASA Astrophysics Data System (ADS)

    Kaur, Gurvir; Tripathi, S. K.

    2015-01-01

    The paper presents the interactions between trypsin and water soluble cadmium selenide (CdSe) quantum dots investigated by spectrophotometric methods. CdSe quantum dots have strong ability to quench the intrinsic fluorescence of trypsin by a static quenching mechanism. The quenching has been studied at three different temperatures where the results revealed that electrostatic interactions exist between CdSe quantum dots and trypsin and are responsible to stabilize the complex. The Scatchard plot from quenching revealed 1 binding site for quantum dots by trypsin, the same has been confirmed by making isothermal titrations of quantum dots against trypsin. The distance between donor and acceptor for trypsin-CdSe quantum dot complexes is calculated to be 2.8 nm by energy transfer mechanisms. The intrinsic fluorescence of CdSe quantum dots has also been enhanced by the trypsin, and is linear for concentration of trypsin ranging 1-80 ?l. All the observations evidence the formation of trypsin-CdSe quantum dot conjugates, where trypsin retains the enzymatic activity which in turn is temperature and pH dependent.

  1. Correlation mapping: rapid method for identification of histological features and pathological classification in mid infrared spectroscopic images of lymph nodes

    NASA Astrophysics Data System (ADS)

    Isabelle, Martin; Rogers, Keith; Stone, Nicholas

    2010-03-01

    In this work, a novel technique for rapid image analysis of Fourier transform infrared (FTIR) data obtained from human lymph nodes is explored. It uses the mathematical principle of orthogonality as a method to quickly and efficiently obtain tissue and pathology information from a spectral image cube. It requires less computational power and time compared to most forms of cluster analysis. The values obtained from different tissue and pathology types allows for discrimination of noncancerous from cancerous lymph nodes. It involves the calculation of the dot product between reference spectra and individual spectra from across the tissue image. These provide a measure of the correlation between individual spectra and the reference spectra, and each spectrum or pixel in the image is given a color representing the reference most closely correlating with it. The correlation maps are validated with the tissue and pathology features identified by an expert pathologist from corresponding hematoxylin and eosin stained tissue sections. Although this novel technique requires further study to properly test and validate this tool, with inclusion of more lymph node hyperspectral datasets (containing a greater variety of tissue states), it demonstrates significant clinical potential for pathology diagnosis.

  2. Spectroscopic Monitoring of Be type Stars

    Microsoft Academic Search

    V. Desnoux; C. Buil

    2005-01-01

    The study of Be stars is a perfect example of spectrography that amateurs can participate in. Several types of spectroscopes can be used depending of what physical parameters are monitored: classical surveys at low-resolution or high-resolution profile study of the H-alpha line are just two examples of what can be monitored. By grouping observations on long time scales, a database

  3. Operator splitting methods for degenerate convection–diffusion equations II: numerical examples with emphasis on reservoir simulation and sedimentation

    Microsoft Academic Search

    Helge Holden; Kenneth Hvistendahl Karlsen; Knut-Andreas Lie

    2000-01-01

    We present an accurate numerical method for a large class of scalar, strongly degenerate convection–diffusion equations. Important subclasses are hyperbolic conservation laws, porous medium type equations, two-phase reservoir flow equations, and strongly degenerate equations coming from the recent theory of sedimentation–consolidation processes. The method is based on splitting the convective and the diffusive terms. The nonlinear, convective part is solved

  4. A generalized method for high throughput in-situ experiment data analysis: An example of battery materials exploration

    NASA Astrophysics Data System (ADS)

    Aoun, Bachir; Yu, Cun; Fan, Longlong; Chen, Zonghai; Amine, Khalil; Ren, Yang

    2015-04-01

    A generalized method is introduced to extract critical information from series of ranked correlated data. The method is generally applicable to all types of spectra evolving as a function of any arbitrary parameter. This approach is based on correlation functions and statistical scedasticity formalism. Numerous challenges in analyzing high throughput experimental data can be tackled using the herein proposed method. We applied this method to understand the reactivity pathway and formation mechanism of a Li-ion battery cathode material during high temperature synthesis using in-situ high-energy X-ray diffraction. We demonstrate that Pearson's correlation function can easily unravel all major phase transition and, more importantly, the minor structural changes which cannot be revealed by conventionally inspecting the series of diffraction patterns. Furthermore, a two-dimensional (2D) reactivity pattern calculated as the scedasticity along all measured reciprocal space of all successive diffraction pattern pairs unveils clearly the structural evolution path and the active areas of interest during the synthesis. The methods described here can be readily used for on-the-fly data analysis during various in-situ operando experiments in order to quickly evaluate and optimize experimental conditions, as well as for post data analysis and large data mining where considerable amount of data hinders the feasibility of the investigation through point-by-point inspection.

  5. AquaFuel: An example of the emerging new energies and the new methods for their scientific study

    E-print Network

    Ruggero Maria Santilli

    1998-05-23

    In this paper we initiate studies of the emerging new forms of energy by using as a representative example the new combustible gas called AquaFuel, discovered and patented by William H. Richardson, jr., whose rights are now owned by Toups Technology Licensing, Inc. (TTL), of Largo, Florida. In essence, AquaFuel is a new energy converter capable of transforming Carbon and water into a new combustible gas via an electric discharge. We show that AquaFuel can be produced easily, safely and rapidly in large amounts, and exhibits greatly reduced emission pollutants as compared to fossil fuels of current use. Despite its simplicity, the chemical and physical characteristics of AquaFuel are largely unknown at this writing. We then review nine basic experimental measurements which are necessary for a scientific appraisal of AquaFuel. We outline the limitations of quantum mechanics and chemistry for the treatment of {\\it new} forms of energy, namely, energies which by definition should be {\\it beyond} said theories. We finally point out the availability of broader theories specifically constructed for the study of new energies and point out available applications.

  6. Catalase in fluvial biofilms: a comparison between different extraction methods and example of application in a metal-polluted river.

    PubMed

    Bonnineau, Chloé; Bonet, Berta; Corcoll, Natàlia; Guasch, Helena

    2011-01-01

    Antioxidant enzymes are involved in important processes of cell detoxification during oxidative stress and have, therefore, been used as biomarkers in algae. Nevertheless, their limited use in fluvial biofilms may be due to the complexity of such communities. Here, a comparison between different extraction methods was performed to obtain a reliable method for catalase extraction from fluvial biofilms. Homogenization followed by glass bead disruption appeared to be the best compromise for catalase extraction. This method was then applied to a field study in a metal-polluted stream (Riou Mort, France). The most polluted sites were characterized by a catalase activity 4-6 times lower than in the low-polluted site. Results of the comparison process and its application are promising for the use of catalase activity as an early warning biomarker of toxicity using biofilms in the laboratory and in the field. PMID:21080224

  7. Lipid Monolayer and Sparse Matrix Screening for Growing Two-Dimensional Crystals for Electron Crystallography: Methods and Examples

    PubMed Central

    Yeager, Mark; Dryden, Kelly A.; Ganser-Pornillos, Barbie K.

    2014-01-01

    Electron microscopy provides an efficient method for rapidly assessing whether a solution of macromolecules is homogeneous and monodisperse. If the macromolecules can be induced to form two-dimensional crystals that are a single layer in thickness, then electron crystallography of frozen-hydrated crystals has the potential of achieving three-dimensional density maps at sub-nanometer or even atomic resolution. Here we describe the lipid monolayer and sparse matrix screening methods for growing two-dimensional crystals and present successful applications to soluble macromolecular complexes: carboxysome shell proteins and HIV CA, respectively. Since it is common to express recombinant proteins with poly-His tags for purification by metal affinity chromatography, the monolayer technique using bulk lipids doped with Ni2+ lipids has the potential for broad application. Likewise, the sparse matrix method uses screening conditions for three-dimensional crystallization and is therefore of broad applicability. PMID:23132079

  8. Chloride mass-balance method for estimating ground water recharge in arid areas: Examples from western Saudi Arabia

    USGS Publications Warehouse

    Bazuhair, A.S.; Wood, W.W.

    1996-01-01

    The chloride mass-balance method, which integrates time and aerial distribution of ground water recharge, was applied to small alluvial aquifers in the wadi systems of the Asir and Hijaz mountains in western Saudi Arabia. This application is an extension of the method shown to be suitable for estimating recharge in regional aquifers in semi-arid areas. Because the method integrates recharge in time and space it appears to be, with certain assumptions, particularly well suited for and areas with large temporal and spatial variation in recharge. In general, recharge was found to be between 3 to 4% of precipitation - a range consistent with recharge rates found in other arid and semi-arid areas of the earth.

  9. Method of Determining the Filtration Properties of oil-Bearing Crops in the Process of Their Pressing by the Example of Rape-oil Extrusion

    NASA Astrophysics Data System (ADS)

    Slavnov, E. V.; Petrov, I. A.

    2014-07-01

    A method of determining the change in the fi ltration properties of oil-bearing crops in the process of their pressing by repeated dynamic loading is proposed. The use of this method is demonstrated by the example of rape-oil extrusion. It was established that the change in the mass concentration of the oil in a rape mix from 0.45 to 0.23 leads to a decrease in the permeability of the mix by 101.5-102 times depending on the pressure applied to it. It is shown that the dependence of the permeability of this mix on the pressure applied to it is nonmonotone in character.

  10. Rapidly evolving genes in pathogens: Methods for detecting positive selection and examples among fungi, bacteria, viruses and protists

    E-print Network

    Discussion Rapidly evolving genes in pathogens: Methods for detecting positive selection International de Baillarguet, 34398 Montpellier cedex 5, France 1. Introduction Hosts and pathogens are engaged in a never-ending struggle, hosts evolving to escape pathogen infection and pathogens evolving to escape host

  11. A Simple Method to Predict Regional Fish Abundance: An Example in the McKenzie River Basin, Oregon

    Microsoft Academic Search

    Daniel J. McGarvey; John M. Johnston

    2011-01-01

    Regional assessments of fisheries resources are increasingly called for, but tools with which to perform them are limited. We present a simple method that can be used to estimate regional carrying capacity and apply it to the McKenzie River Basin, Oregon. First, we use a macroecological model to predict trout densities within small, medium, and large streams in the McKenzie

  12. Towards a Comprehensive Method for Evaluating Social Studies Curriculum Materials: With Examples from the Elementary School Curriculum.

    ERIC Educational Resources Information Center

    Bisland, Beverly Milner

    The evaluation methodology delineated in this paper is a work in progress. The purpose is to develop a method for evaluating social studies curriculum materials that encompasses the materials' comprehensibility and the perspective offered. The paper draws from past evaluations that focused on either comprehensibility or perspective but have not…

  13. Electrical Resistivity Methods to Characterize Sediment Deformation; Examples from Large-scale Glaciotectonic Structures in Michigan, USA

    NASA Astrophysics Data System (ADS)

    van Dam, R. L.

    2010-12-01

    An outcrop at the western edge of a large NW-SE trending ridge along the eastern shore of Lake Michigan south of Ludington contains Late Wisconsin deformation structures. Differential loading associated with a glacial re-advance caused glaciolacustrine loamy material to deform into several narrow anticlinal structures that rise from below beach level to near the top of the ~50 m high cliff. The anticlines separate ~100 m broad synclines that control local ground water flow and impact cliff stability. The objective of this study was to characterize the orientation and lateral extent of the structures below the ridge using different galvanic electrical resistivity methods. These methods exploit the large electrical contrast between the glaciolacustrine loams and overlying sandy outwash material. Electrical resistivity methods have long been part of the geophysical tool set. Recent advances, including the availability of multi-electrode systems and advanced data processing software, have made electrical resistivity tomography (ERT) a popular tool to obtain 2D models of subsurface resistivity. In this study, vertical electrical soundings (VES) were combined with borehole logs and lab-derived petrophysical relationships to characterize the site stratigraphy. Constant-spread traverses (CST) and ERT data were used to map the spatial extent of deformation structures. Field, lab, and modeling results presented in this work identify various strengths and limitations of electrical resistivity methods for the characterization of deformation structures in general and glaciotectonic structures in particular.

  14. A Simple Method to Predict Regional Fish Abundance: An Example in the McKenzie River Basin, Oregon

    EPA Science Inventory

    Regional assessments of fisheries resources are increasingly called for, but tools with which to perform them are limited. We present a simple method that can be used to estimate regional carrying capacity and apply it to the McKenzie River Basin, Oregon. First, we use a macroeco...

  15. Operator splitting methods for degenerate convection-diffusion equations II: numerical examples with emphasis on reservoir simulation and sedimentation

    Microsoft Academic Search

    Helge Holden; Kenneth Hvistendahl Karlsen; Knut-Andreas Lie

    1999-01-01

    . We present an accurate numerical method for a large class of scalar, strongly degenerateconvection-diusion equations. Important subclasses are hyperbolic conservation laws,porous medium type equations, two-phase reservoir ow equations, and strongly degenerateequations coming from the recent theory of sedimentation-consolidation processes. The methodis based on splitting the convective and the diusive terms. The nonlinear, convective part issolved using front tracking and

  16. Comparative Investigation of Several Sperm Analysis Methods for Evaluation of Spermatotoxicity of Industrial Chemical: 2-Bromopropane as an Example

    Microsoft Academic Search

    Katsumi OHTANI; Shigeru YAMAZAKI; Hisayo KUBOTA; Muneyuki MIYAGAWA; Junzo SAEGUSA

    2004-01-01

    Reproductive toxicity of 2-bromopropane (2BP), a substitute for ozone layer-depleting chloro-fluorocarbon, was found among the workers in an electronics factory in Korea in 1995. Furthermore the importance of testicular toxicity has been realized since the problem of endocrine disruptors arose all over the world, but manual methods must rely on subjective assessment. Recently, computer-assisted sperm analysis (CASA) was proposed but

  17. Novel Method To Identify the Optimal Antimicrobial Peptide in a Combination Matrix, Using Anoplin as an Example

    PubMed Central

    Ritz, C.; Fliedner, F. P.; Frimodt-Møller, N.

    2014-01-01

    Microbial resistance is an increasing health concern and a true danger to human well-being. A worldwide search for new compounds is ongoing, and antimicrobial peptides are promising lead candidates for tomorrow's antibiotics. The decapeptide anoplin (GLLKRIKTLL-NH2) is an especially interesting candidate because of its small size as well as its antimicrobial and nonhemolytic properties. Optimization of the properties of an antimicrobial peptide such as anoplin requires multidimensional searching in a complex chemical space. Typically, such optimization is performed by labor-intensive and costly trial-and-error methods. In this study, we show the benefit of fractional factorial design for identification of the optimal antimicrobial peptide in a combination matrix. We synthesized and analyzed a training set of 12 anoplin analogs, representative of 64 analogs in total. Using MIC, hemolysis, and high-performance liquid chromatography retention time data, we constructed analysis-of-variance models that describe the relationship between these properties and the structural characteristics of the analogs. We show that the mathematical models derived from the training set data can be used to predict the properties of other analogs in the chemical space. Hence, this method provides an efficient means of identification of the optimal peptide in the searched chemical space. PMID:24277042

  18. An exploratory method to detect tephras from quantitative XRD scans: Examples from Iceland and east Greenland marine sediments

    USGS Publications Warehouse

    Andrews, John T.; Eberl, D.D.; Kristjansdottir, G.B.

    2006-01-01

    Tephras, mainly from Iceland, are becoming increasingly important in interpreting leads and lags in the Holocene climate system across NW Europe. Here we demonstrate that Quantitative Phase Analysis of x-ray diffractograms of the 150 um fraction and identify these same peaks in XRD scans - two of these correlate geochemically and chronologically with Hekla 1104 and 3. At a distal site to the WNW of Iceland, on the East Greenland margin (core MD99-2317), the weight% of volcanic glass reaches values of 11% at about the time of the Saksunarvatn tephra. The XRD method identifies the presence of volcanic glass but not its elemental composition; hence it will assist in focusing attention on specific sections of sediment cores for subsequent geochemical fingerprinting of tephras. ?? 2006 SAGE Publications.

  19. Statistical analysis of astronomical data containing upper bounds - General methods and examples drawn from X-ray astronomy

    NASA Technical Reports Server (NTRS)

    Schmitt, J. H. M. M.

    1985-01-01

    Statistical procedures taken from the field of survival analysis have been adapted to astronomical usage and have been applied to a sample of stars in the B-V color range between 0.1 and 0.5 with measured soft X-ray luminosities and projected equatorial velocities. The two-sample problem and linear regression problem with arbitrarily censored data were studied. A new method for determining the linear regression between two random variables in the presence of arbitrary censoring has been developed which can also be used for a likelihood-ratio test for the independence of two random variables and for principal-component analysis in the presence of arbitrary censoring. The required numerical computations can be carried out straightforwardly and rapidly.

  20. A comparison of bivariate statistical model and deterministic model-based landslide susceptibility mapping methods: An example from North Turkey

    NASA Astrophysics Data System (ADS)

    Akgun, Aykut; Erkan, Oguzhan

    2015-04-01

    In Turkey, landslide is one of the most important natural hazards. Due to landslide occurrence, several landforms and man made structures are adversely affected, and may cause many injuries and loss of life. In this context, landslide susceptibility assessment is important task to determine susceptible areas to landslide occurrence. Especially, several dam reservoir areas in Turkey are threated by landslide phenomena. For this reason, in this study, a dam reservoir area located in North Turkey was selected, and investigated in point of landslide susceptibility assessment. A landslide susceptibility assessment for the Kurtun dam reservoir area (Gumushane, North Turkey) was carried out by geographical information systems (GIS)-based statistical and deterministic models. For this purpose, frequency ratio (FR) and stability index mapping (SINMAP) methodologies were applied. In this context, eight conditioning parameters such as altitude, lithology, slope gradient, slope aspect, distance to drainage, distance to lineament, stream power index (SPI) and topographical wetness index (TWI) were considered. After assessment of these parameters by FR and SINMAP methods in a GIS environment, two landslide susceptibility maps were obtained. Then, the maps obtained were analyzed for verification purpose. For this purpose, area under curvature (AUC) approach was used. At the end of this process, the AUC values of 0.73 and 0.70 were found for FR and SINMAP methods, respectively. Additionally, the SINMAP statistical results showed that the 93.8% of the observed landslides in the area falls into the lower and upper threshold showing the stability index classes. These values indicate that the accuracies of landslide susceptibility maps are acceptable, and the maps are feasible for further natural hazard management affairs in the area.

  1. On the methods for the construction of seabed digital elevation models (using the example of the White Sea)

    NASA Astrophysics Data System (ADS)

    Nikiforov, S. L.; Koshel, S. M.; Frol, V. V.; Popov, O. E.; Levchenko, O. V.

    2015-03-01

    A digital elevation model (DEM) of the White Sea has been constructed based on navigational maps on different scales. The maps have been scanned, and their raster images have been processed. The isobaths have been vectorized, and attribute tables have been created. The vector layers have been transformed from map projections to geographical coordinates. The sheets have been edited and stapled. The geometry and attributes have been corrected. When constructing a DEM, it is important to choose an algorithm that will make it possible to maintain the bed forms expressed in the raw isobaths with maximum detail in the model. An original algorithm developed and implemented by the authors is used. It is based on the fast computation of the distances to the two nearest isobaths at different levels. Its main feature is the interpretation of the contour lines as linear vector objects. The comparison of the depths based on the constructed seabed DEM with depths measured during echo sounding in natural conditions shows their good agreement. Currently, not only the constructed seabed digital elevation model but also methodical and methodological bases of numerical simulations, including the new classification approaches to the terrain description, are relevant.

  2. Methods and approaches to support Indigenous water planning: An example from the Tiwi Islands, Northern Territory, Australia

    NASA Astrophysics Data System (ADS)

    Hoverman, Suzanne; Ayre, Margaret

    2012-12-01

    SummaryIndigenous land owners of the Tiwi Islands, Northern Territory Australia have begun the first formal freshwater allocation planning process in Australia entirely within Indigenous lands and waterways. The process is managed by the Northern Territory government agency responsible for water planning, the Department of Natural Resources, Environment, The Arts and Sport, in partnership with the Tiwi Land Council, the principal representative body for Tiwi Islanders on matters of land and water management and governance. Participatory planning methods ('tools') were developed to facilitate community participation in Tiwi water planning. The tools, selected for their potential to generate involvement in the planning process needed both to incorporate Indigenous knowledge of water use and management and raise awareness in the Indigenous community of Western science and water resources management. In consultation with the water planner and Tiwi Land Council officers, the researchers selected four main tools to develop, trial and evaluate. Results demonstrate that the tools provided mechanisms which acknowledge traditional management systems, improve community engagement, and build confidence in the water planning process. The researchers found that participatory planning approaches supported Tiwi natural resource management institutions both in determining appropriate institutional arrangements and clarifying roles and responsibilities in the Islands' Water Management Strategy.

  3. Spectroscopic Detection of Pathogens

    SciTech Connect

    ALAM,M. KATHLEEN; TIMLIN,JERILYN A.; MARTIN,LAURA E.; HJELLE,DRIAN; LYONS,RICK; GARRISON,KRISTIN

    2000-11-01

    The goal of this LDRD Research project was to provide a preliminary examination of the use of infrared spectroscopy as a tool to detect the changes in cell cultures upon activation by an infectious agent. Due to a late arrival of funding, only 5 months were available to transfer and setup equipment at UTTM,develop cell culture lines, test methods of in-situ activation and collect kinetic data from activated cells. Using attenuated total reflectance (ATR) as a sampling method, live cell cultures were examined prior to and after activation. Spectroscopic data were collected from cells immediately after activation in situ and, in many cases for five successive hours. Additional data were collected from cells activated within a test tube (pre-activated), in both transmission mode as well as in ATR mode. Changes in the infrared data were apparent in the transmission data collected from the pre-activated cells as well in some of the pre-activated ATR data. Changes in the in-situ activated spectral data were only occasionally present due to (1) the limited time cells were studied and (2) incomplete activation. Comparison of preliminary data to infrared bands reported in the literature suggests the primary changes seen are due an increase in ribonucleic acid (RNA) production. This work will be continued as part of a 3 year DARPA grant.

  4. Example-based skeleton extraction

    Microsoft Academic Search

    Scott Schaefer; Can Yuksel

    2007-01-01

    We present a method for extracting a hierarchical, rigid skeleton from a set of example poses. We then use this skeleton to not only reproduce the example poses, but create new deformations in the same style as the examples. Since rigid skeletons are used by most 3D modeling software, this skeleton and the corresponding vertex weights can be inserted directly

  5. Combined spectroscopic methods for electron-density diagnostics inside atmospheric-pressure glow discharge using He\\/N2 gas mixture

    Microsoft Academic Search

    Keiichiro Urabe; Osamu Sakai; Kunihide Tachibana

    2011-01-01

    We investigated the spatiotemporal structures of electron density inside an atmospheric-pressure glow discharge in a gaseous medium of He with small N2 impurity using a parallel-plate dielectric barrier discharge configuration. To reveal the spatial distributions of temporal-peak electron density, we combined the measurement results of two spectroscopic diagnostics applied to the same plasma source: CO2-laser heterodyne interferometry and millimetre-wave transmission

  6. Building a Spectroscope

    NSDL National Science Digital Library

    Students learn about the variations of white light in this Moveable Museum unit, in which they build a pocket-sized spectroscope from readily available materials and examine different light sources in school, at home, and around their town or city. The seven-page PDF guide includes suggested general background readings for educators, activity and safety notes, step-by-step directions, and a spectroscope template.

  7. Spectroscopic planetary detection

    NASA Technical Reports Server (NTRS)

    Deming, Drake

    1988-01-01

    One of the most promising methods for the detection of extra-solar planets is the spectroscopic method, where a small Doppler shift (approximately 10 meters/sec) in the spectrum of the parent star reveals the presence of planetary companions. However, solar-type stars may show spurious Doppler shifts due to surface activity. If these effects are periodic, as is the solar activity cycle, then they may masquerade as planetary companions. The goal of this investigation is to determine whether the solar cycle affects the Doppler stability of integrated sunlight. Observations of integrated sunlight are made in the near infrared (approximately 2 micrometer), using the Kitt Peak McMath Fourier transform spectrometer, with an N2O gas absorption cell for calibration. Researchers currently achieve an accuracy of approximately 5 meters/sec. Solar rotation velocities vary by plus or minus 2000 meters/sec across the solar disk, and imperfect optical integration of these velocities is the principal source of error. We have been monitoring the apparent velocity of integrated sunlight since 1983. They initially saw a decrease of approximately 30 meters/sec in the integrated light velocity from 1983 through 1985, but in 1987 to 1988 the integrated light velocity returned to its 1983 level. It is too early to say whether these changes are solar-cycle related. Although the FTS, unlike a slit spectrograph, has a large field of view, researchers are always looking for ways to improve the optical integration of the solar disk. They recently made an improvement in the method used to optically collimate the FTS, and this has reduced the error level, eliminating some systematic effects seen earlier.

  8. Deciphering P-T paths in metamorphic rocks involving zoned minerals using quantified maps (XMapTools software) and thermodynamics methods: Examples from the Alps and the Himalaya.

    NASA Astrophysics Data System (ADS)

    Lanari, P.; Vidal, O.; Schwartz, S.; Riel, N.; Guillot, S.; Lewin, E.

    2012-04-01

    Metamorphic rocks are made by mosaic of local thermodynamic equilibria involving minerals that grew at different temporal, pressure (P) and temperature (T) conditions. These local (in space but also in time) equilibria can be identified using micro-structural and textural criteria, but also tested using multi-equilibrium techniques. However, linking deformation with metamorphic conditions requires spatially continuous estimates of P and T conditions in least two dimensions (P-T maps), which can be superimposed to the observed structures of deformation. To this end, we have developed a new Matlab-based GUI software for microprobe X-ray map processing (XMapTools, http://www.xmaptools.com) based on the quantification method of De Andrade et al. (2006). XMapTools software includes functions for quantification processing, two chemical modules (Chem2D, Triplot3D), the structural formula functions for common minerals, and more than 50 empirical and semi-empirical geothermobarometers obtained from the literature. XMapTools software can be easily coupled with multi-equilibrium thermobarometric calculations. We will present examples of application for two natural cases involving zoned minerals. The first example is a low-grade metapelite from the paleo-subduction wedge in the Western Alps (Schistes Lustrés unit) that contains only both zoned chlorite and phengite, and also quartz. The second sample is a Himalayan eclogite from the high-pressure unit of Stak (Pakistan) with an eclogitic garnet-omphacite assemblage retrogressed into clinopyroxene-plagioclase-amphibole symplectite, and later into amphibole-biotite during the collisional event under crustal conditions. In both samples, P-T paths were recovered using multi-equilibrium, or semi-empirical geothermobarometers included in the XMapTools package. The results will be compared and discussed with pseudosections calculated with the sample bulk composition and with different local bulk rock compositions estimated with XMapTools. De Andrade, V., Vidal, O., Lewin, E., O'Brien, P., Agard, P., 2006. Quantification of electron microprobe compositional maps of rock thin sections: an optimized method and examples. Journal of Metamorphic Geology 24, 655-668.

  9. A Spectroscopic-Based Laboratory Experiment for Protein Conformational Studies

    ERIC Educational Resources Information Center

    Ramos, Carlos Henrique I.

    2004-01-01

    This article describes a practical experiment for teaching basic spectroscopic techniques to introduce the topic of protein conformational change to students in the field of molecular biology, biochemistry, or structural biology. The spectroscopic methods employed in the experiment are absorbance, for protein concentration measurements, and…

  10. Build Your Own Spectroscope

    NSDL National Science Digital Library

    Students build a working spectroscope to study the nature of light. (Younger students use a prism to learn about the rainbow.) The curriculum includes study guides for various grade groups, PowerPoints to explain concepts, age-appropriate hands-on activities, and 3 videos.

  11. Use of new field methods of semen analysis in the study of occupational hazards to reproduction: the example of ethylene dibromide

    SciTech Connect

    Schrader, S.M.; Ratcliffe, J.M.; Turner, T.W.; Hornung, R.W.

    1987-12-01

    Increasing attention has been paid to the use of semen analysis as an indicator of exposure to potential mutagenic and reproductive hazards. In the infertility clinic setting, semen evaluations include the measurement of sperm concentration, volume, pH, motility, velocity and morphology, the analysis of seminal plasma to evaluate accessory sex gland function and, in some cases, the in vitro evaluation of fertilization capacity and sperm-cervical mucus interaction. To date, however, the study of semen characteristics of occupationally exposed populations has been confined principally to the measurement of sperm concentration and sperm morphology. This has been largely due to the unavailability of portable equipment suitable for the measurement of other semen characteristics and the difficulty of obtaining fresh semen samples in the field setting. National Institute for Occupational Safety and Health researchers have developed mobile laboratory facilities which enable us to evaluate fresh samples, in the field, for semen characteristics in addition to concentration and morphology. This paper describes the application of these methods using the example of our recent cross-sectional study of workers occupationally exposed to ethylene dibromide in the papaya fumigation industry. We discuss our findings in the context of the usefulness of semen analysis as an indicator of occupational hazards to male reproduction.

  12. How specific Raman spectroscopic models are: a comparative study between different cancers

    NASA Astrophysics Data System (ADS)

    Singh, S. P.; Kumar, K. Kalyan; Chowdary, M. V. P.; Maheedhar, K.; Krishna, C. Murali

    2010-02-01

    Optical spectroscopic methods are being contemplated as adjunct/ alternative to existing 'Gold standard' of cancer diagnosis, histopathological examination. Several groups are actively pursuing diagnostic applications of Ramanspectroscopy in cancers. We have developed Raman spectroscopic models for diagnosis of breast, oral, stomach, colon and larynx cancers. So far, specificity and applicability of spectral- models has been limited to particular tissue origin. In this study we have evaluated explicitly of spectroscopic-models by analyzing spectra from already developed spectralmodels representing normal and malignant tissues of breast (46), cervix (52), colon (25), larynx (53), and oral (47). Spectral data was analyzed by Principal Component Analysis (PCA) using scores of factor, Mahalanobis distance and Spectral residuals as discriminating parameters. Multiparametric limit test approach was also explored. The preliminary unsupervised PCA of pooled data indicates that normal tissue types were always exclusive from their malignant counterparts. But when we consider tissue of different origin, large overlap among clusters was found. Supervised analysis by Mahalanobis distance and spectral residuals gave similar results. The 'limit test' approach where classification is based on match / mis-match of the given spectrum against all the available spectra has revealed that spectral models are very exclusive and specific. For example breast normal spectral model show matches only with breast normal spectra and mismatch to rest of the spectra. Same pattern was seen for most of spectral models. Therefore, results of the study indicate the exclusiveness and efficacy of Raman spectroscopic-models. Prospectively, these findings might open new application of Raman spectroscopic models in identifying a tumor as primary or metastatic.

  13. FT-IR, FT-Raman, dispersive Raman, NMR spectroscopic studies and NBO analysis of 2-Bromo-1H-Benzimidazol by density functional method

    NASA Astrophysics Data System (ADS)

    Sas, E. B.; Kurt, M.; Karabacak, M.; Poiyamozhi, A.; Sundaraganesan, N.

    2015-02-01

    In this study, geometrical optimization, FT-IR (4000-400 cm-1), FT-Raman (4000-40 cm-1), dispersive Raman (4000-40 cm-1) spectroscopic analysis, electronic structure and 1H and 13C nuclear magnetic resonance (NMR) studies of 2-Bromo-1H-Benzimidazol (abbreviated as 2Br1HB) were undertaken by utilizing DFT/B3LYP with 6-311+G(d,p) basis set. The results of the calculations were applied to simulate spectra of the title compound, which show good agreement with observed spectra. Complete vibrational assignments, analysis and correlations of the fundamental modes for 2Br1HB compound were carried out. Stability of the molecule arising from hyperconjugative interactions, charge delocalization was analyzed using natural bond orbital (NBO) analysis. The molecule orbital contributions were studied by using the total density of states (TDOS), partial density of states (PDOS), and overlap population density of states (OPDOS). The electronic properties like HOMO-LUMO energies and molecular electrostatic potential (MEP) analysis were reported. The calculated HOMO and LUMO energies shows that charge transfer interactions take place within the molecule. Mulliken population analysis on atomic charges was also calculated. Good correlation between the experimental 1H and 13C NMR chemical shifts in DMSO solution and calculated gauge-including atomic orbital (GIAO) shielding tensors were found.

  14. Action Recognition from One Example

    Microsoft Academic Search

    Hae Jong Seo; Peyman Milanfar

    2011-01-01

    We present a novel action recognition method based on space-time locally adaptive regression kernels and the matrix cosine similarity measure. The proposed method uses a single example of an action as a query to find similar matches. It does not require prior knowledge about actions, foreground\\/background segmentation, or any motion estimation or tracking. Our method is based on the computation

  15. Discussion about decision support systems using continuous multi-criteria methods for planning in areas with hydro-basins, agriculture and forests, from examples in Argentine.

    NASA Astrophysics Data System (ADS)

    Anton, J. M.; Grau, J. B.; Tarquis, A. M.; Andina, D.; Cisneros, J. M.; Sanchez, E.

    2012-04-01

    The authors were involved last years in projects considering diverse decision problems on the use of some regions in Argentine, and also related to rivers or rural services in them. They used sets of multi-criteria decision methods, first discrete when the problem included few distinct alternatives, such as e.g. forestry, traditional or intensive agriculture. For attributes they were different effects, classified then in environmental, economic and social criteria. Extending to other gentler areas, such as at South of the Province of Córdoba, Arg., they have balanced more delicately effects of continuous levels of actions, with a combination of Goal Programming linked methods, and they adopted compromises to have precise solutions. That has shown, and in part open, a line of research, as the setting of such models require various kinds of definitions and valuations, including optimizations, goals with penalties in deviations and restrictions. That can be in diverse detail level and horizon, in presence of various technical and human horizons, and that can influence politics of use of terrain and production that will require public and private agents. The research will consider consideration of use and conservation of soils, human systems and agro productions, and hence models for optimization, preferably in such Goal Programming ways. That will require considering various systems of models, first in theory to be reliable, and then in different areas to evaluate the quality of conclusions, and maybe that successively if results are found advantageous. The Bayesian ways will be considered, but they would require a prospective of sets of precise future states of nature or markets with elicited probabilities, which are neither evident nor decisive for the moment, as changes may occur in years but will be very unexpected or uncertain. The results will be lines of models to aid to establish policies of use of territories, by public agencies setting frames for private agents of different size and kinds, with different horizons of climatic and human changes. The usable models will depend somehow on the type of areas, which have different climates and soils, population, markets and maybe civilizations, starting with Argentine examples, if possible compared in cases with Spain.

  16. Spectroscopic Monitoring of Be type Stars

    NASA Astrophysics Data System (ADS)

    Desnoux, V.; Buil, C.

    2005-05-01

    The study of Be stars is a perfect example of spectrography that amateurs can participate in. Several types of spectroscopes can be used depending of what physical parameters are monitored: classical surveys at low-resolution or high-resolution profile study of the H-alpha line are just two examples of what can be monitored. By grouping observations on long time scales, a database of stellar spectra can be built and placed at the disposal of professionals. Over a period of 10 years, starting at the Pic du Midi observ- atory and continuing later on by Christian Buil, and other French amateur groups using Musicos professional spectroscope, the monitoring of Be stars produced scientific results and are now supported by professional astron- omers. Some are already using the ARAS (Astronomical Ring for Amateur Spec- troscopy) list to ask for specific monitoring and get additional observations from the amateur community. Spectral processing will be also discussed, using Visual Spec and Iris freeware, from the basic calibration up to time reso- lution H-alpha profile evolution and Equivalent Width computation. Be Stars survey is just an example of how powerful spectroscopy can be, and can be practiced by amateurs. Amateurs are really capable of playing a key part in astrophysical studies.

  17. A Comparison of Near- and Mid-Infrared Spectroscopic Methods for the Analysis of Several Nutritionally Important Chemical Substances in the Chinese Yam (Dioscorea opposita): Total Sugar, Polysaccharides, and Flavonoids.

    PubMed

    Zhuang, Hua; Ni, Yongnian; Kokot, Serge

    2015-04-01

    The Chinese yam (Dioscorea opposita) is a basic food in Asia and especially China. Consequently, an uncomplicated, reliable method should be available for the analysis of the quality and origin of the yams. Thus, near-infrared (NIR) and mid-infrared (mid-IR) spectroscopic methods were developed to discriminate among Chinese yam samples collected from four geographical regions. The yam samples were analyzed also for total sugar, polysaccharides, and flavonoids. These three analytes were used to compare the performance of the analytical methods. Overlapping spectra were resolved using chemometrics methods. Such spectra were compared qualitatively using principal component analysis (PCA) and quantitatively using partial least squares (PLS) and least squares-support vector machine (LS-SVM) models. We discriminated among the four sets of yam data using PCA, and the NIR data performed somewhat better than the mid-IR data. We constructed the PLS and LS-SVM calibration models for the prediction of the three key variables, and the LS-SVM model produced better results. Also, the NIR prediction model produced better outcomes than the mid-IR prediction model. Thus, both infrared (IR) techniques performed well for the analysis of the three key analytes, and the samples were qualitatively discriminated according to their provinces of origin. Both techniques may be recommended for the analysis of Chinese yams, although the NIR technique would be preferred. PMID:25742643

  18. Quantitative thermodynamic analyses of spectroscopic titration curves

    NASA Astrophysics Data System (ADS)

    Bujalowski, Wlodzimierz; Jezewska, Maria J.

    2014-12-01

    Elucidation of ligand - macromolecule interactions requires detailed knowledge of energetics of the formed complexes. Spectroscopic methods are most commonly used in characterizing molecular interactions in solution. The methods do not require large quantities of material and most importantly, do not perturb the studied reactions. However, spectroscopic methods absolutely require the determination of the relationship between the observed signal and the degree of binding in order to obtain meaningful interaction parameters. In other words, the meaningful, thermodynamic interaction parameters can be only determined if the relationship between the observed signal and the degree of binding is determined and not assumed, based on an ad hoc model of the relationship. The approaches discussed here allow an experimenter to quantitatively determine the degree of binding and the free ligand concentration, i.e., they enable to construct thermodynamic binding isotherms in a model-independent fashion.

  19. Spectroscopic Studies of Abell Clusters

    NASA Astrophysics Data System (ADS)

    Way, Michael Joseph

    The objectives of this work are to use spectroscopic techniques to accurately categorize galaxies as either HII region star forming galaxies or as Active Galactic Nuclei powered via a black hole, and to use radial velocities and projected positions of galaxies in clusters to obtain the total cluster mass and its distribution. The masses and distributions compare well to X-ray mass measurements. The commonly used Dressler, A., Thompson, I. & Shectman, S. 1985, ApJ, 288, 481 technique for discriminating between Active Galactic Nuclei and HII region galaxies uses the measurement of the equivalent width of the emission lines (OII) 3727 A, H/beta, and (OIII) 5007 A. High quality spectra from 42 galaxies were taken and it is shown that their method is not capable of distinguishing between Active Galactic Nuclei and HII region galaxies. The emission line flux from H/beta, (OIII) 5007 A, (OI) 6300 A, H?, (NII) 6583 A, and (SII) 6716+6731 A in combination with the method of Veilleux, S. & Osterbrock, D. E. 1987, ApJS, 63, 295 must be used to accurately distinguish between Active Galactic Nuclei and HII region galaxies. Galaxy radial velocities from spectroscopic data and their projected 2-D positions in clusters are used to obtain robust estimates of the total mass and mass distribution in two clusters. The total mass is calculated using the Virial theorem after removing substructure. The mass distribution is estimated via several robust statistical tests for 1-D, 2-D and 3-D structure. It is shown that the derived mass estimates agree well with those found independently from hot X-ray gas emission in clusters.

  20. Simultaneous determination of methocarbamol and Ibuprofen by first derivative synchronous fluorescence spectroscopic method in their binary mixture and spiked human plasma.

    PubMed

    Abdelwahab, Nada S; Abdelrahman, Maha M

    2014-01-01

    Methocarbamol is formulated with Ibuprofen for treatment of alleviated pain associated with muscle spasm. This manuscript describes a sensitive and selective first derivative synchronous spectrofluorimetric method for simultaneous determination of both drugs. Factors affecting method selectivity were studied where best results were obtained upon using ? ? = 20 and water as a solvent. Methocartbamol was determined at 283 nm while Ibuprofen at 285.5 nm in the concentration ranges of 0.4-5 and 0.2-4.8 ?g/mL, respectively. The applicability of the proposed method was ascertained by application to different laboratory prepared mixtures and marketed formulation. The high sensitivity achieved by the proposed method permitted its application for determination of the drugs in human plasma spiked with pure drugs and their combined tablets. The proposed method showed no significant difference when compared with the reported HPLC method using student's t-test and F-ratio test. PMID:23912962

  1. Spectroscopic characterisation of SWNT polymer composites

    Microsoft Academic Search

    Sinead Keogh

    2006-01-01

    In this study hybrid systems of the conjugated organic polymer poly(p-phenylene vinylene-co-2,5-dioctyloxy-m-phenylene vinylene) (PmPV) with single-walled carbon nanotubes synthesised by the Arc discharge method and by gas-phase catalytic decomposition of carbon monoxide at high pressure (HiPco process) are explored using a wide variety of spectroscopic, microscopic and thermal techniques. Diameter dependent solubilisation has been previously shown in solutions of such

  2. Action Recognition from One Example

    Microsoft Academic Search

    Hae Jong Seo; Peyman Milanfar

    2009-01-01

    We present a novel action recognition method based on space-time locally adaptive regression kernels and the matrix cosine similarity measure. The proposed method uses a single example of an action to find similar matches. It does not require prior knowledge about actions; foreground\\/background segmentation, or any motion estimation or tracking. Our method is based on the computation of novel space-time

  3. A Spectroscopic Database for MIPAS

    Microsoft Academic Search

    J.-M. Flaud; C. Piccolo; B. Carli

    2003-01-01

    The analysis and interpretation of atmospheric limb spectra such as those recorded by MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) require good knowledge of the molecular parameters of the atmospheric species. This is why a spectroscopic database dedicated to the MIPAS experiment has been generated. The new spectroscopic parameters were first validated through a comparison between atmospheric simulations and ATMOS

  4. Spectroscopically Accurate Line Lists for Application in Sulphur Chemistry

    NASA Astrophysics Data System (ADS)

    Underwood, D. S.; Azzam, A. A. A.; Yurchenko, S. N.; Tennyson, J.

    2013-09-01

    Monitoring sulphur chemistry is thought to be of great importance for exoplanets. Doing this requires detailed knowledge of the spectroscopic properties of sulphur containing molecules such as hydrogen sulphide (H2S) [1], sulphur dioxide (SO2), and sulphur trioxide (SO3). Each of these molecules can be found in terrestrial environments, produced in volcano emissions on Earth, and analysis of their spectroscopic data can prove useful to the characterisation of exoplanets, as well as the study of planets in our own solar system, with both having a possible presence on Venus. A complete, high temperature list of line positions and intensities for H32 2 S is presented. The DVR3D program suite is used to calculate the bound ro-vibration energy levels, wavefunctions, and dipole transition intensities using Radau coordinates. The calculations are based on a newly determined, spectroscopically refined potential energy surface (PES) and a new, high accuracy, ab initio dipole moment surface (DMS). Tests show that the PES enables us to calculate the line positions accurately and the DMS gives satisfactory results for line intensities. Comparisons with experiment as well as with previous theoretical spectra will be presented. The results of this study will form an important addition to the databases which are considered as sources of information for space applications; especially, in analysing the spectra of extrasolar planets, and remote sensing studies for Venus and Earth, as well as laboratory investigations and pollution studies. An ab initio line list for SO3 was previously computed using the variational nuclear motion program TROVE [2], and was suitable for modelling room temperature SO3 spectra. The calculations considered transitions in the region of 0-4000 cm-1 with rotational states up to J = 85, and includes 174,674,257 transitions. A list of 10,878 experimental transitions had relative intensities placed on an absolute scale, and were provided in a form suitable for inclusion in standard atmospheric and planetary spectroscopic databases. The methods involved in computing the ab initio potential energy and dipole moment surfaces involved minor corrections to the equilibrium S-O distance, which produced a good agreement with experimentally determined rotational energies. However the purely ab initio method was not been able to reproduce an equally spectroscopically accurate representation of vibrational motion. We therefore present an empirical refinement to this original, ab initio potential surface, based on the experimental data available. This will not only be used to reproduce the room-temperature spectrum to a greater degree of accuracy, but is essential in the production of a larger, accurate line list necessary for the simulation of higher temperature spectra: we aim for coverage suitable for T ? 800 K. Our preliminary studies on SO3 have also shown it to exhibit an interesting "forbidden" rotational spectrum and "clustering" of rotational states; to our knowledge this phenomenon has not been observed in other examples of trigonal planar molecules and is also an investigative avenue we wish to pursue. Finally, the IR absorption bands for SO2 and SO3 exhibit a strong overlap, and the inclusion of SO2 as a complement to our studies is something that we will be interested in doing in the near future.

  5. The limit of detection for explosives in spectroscopic differential reflectometry

    NASA Astrophysics Data System (ADS)

    Dubroca, Thierry; Vishwanathan, Karthik; Hummel, Rolf E.

    2011-05-01

    In the wake of recent terrorist attacks, such as the 2008 Mumbai hotel explosion or the December 25th 2009 "underwear bomber", our group has developed a technique (US patent #7368292) to apply differential reflection spectroscopy to detect traces of explosives. Briefly, light (200-500 nm) is shone on a surface such as a piece of luggage at an airport. Upon reflection, the light is collected with a spectrometer combined with a CCD camera. A computer processes the data and produces in turn a differential reflection spectrum involving two adjacent areas of the surface. This differential technique is highly sensitive and provides spectroscopic data of explosives. As an example, 2,4,6, trinitrotoluene (TNT) displays strong and distinct features in differential reflectograms near 420 nm. Similar, but distinctly different features are observed for other explosives. One of the most important criteria for explosive detection techniques is the limit of detection. This limit is defined as the amount of explosive material necessary to produce a signal to noise ratio of three. We present here, a method to evaluate the limit of detection of our technique. Finally, we present our sample preparation method and experimental set-up specifically developed to measure the limit of detection for our technology. This results in a limit ranging from 100 nano-grams to 50 micro-grams depending on the method and the set-up parameters used, such as the detector-sample distance.

  6. Near-infrared spectroscopic method for the identification of Fusarium head blight damage and prediction of deoxynivalenol in single wheat kernels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fusarium Head Blight (FHB), or scab, can result in significant crop yield losses and contaminated grain in wheat (Triticum aestivum L.). Growing less susceptible varieties is one of the most effective methods for managing FHB and for reducing deoxynivalenol (DON) levels in grain, but breeding progra...

  7. Flux measurements using the BATSE spectroscopic detectors

    NASA Technical Reports Server (NTRS)

    Mcnamara, Bernard

    1993-01-01

    Among the Compton Gama-Ray Observatory instruments, the BATSE Spectroscopic Detectors (SD) have the distinction of being able to detect photons of energies less than about 20 keV. This is an interesting energy range for the examination of low mass X-ray binaries (LMXB's). In fact, Sco X-1, the prototype LMXB, is easily seen even in the raw BATSE spectroscopic data. The all-sky coverage afforded by these detectors offers a unique opportunity to monitor this source over time periods never before possible. The aim of this investigation was to test a number of ways in which both continous and discrete flux measurements can be obtained using the BATSE spectroscopic datasets. A instrumental description of a SD can be found in the Compton Workshop of Apr. 1989, this report will deal only with methods which can be used to analyze its datasets. Many of the items discussed below, particularly in regard to the earth occultation technique, have been developed, refined, and applied by the BATSE team to the reduction of BATSE LAD data. Code written as part of this project utilizes portions of that work. The following discussions will first address issues related to the reduction of SD datasets using the earth occultation technique. It will then discuss methods for the recovery of the flux history of strong sources while they are above the earth's limb. The report will conclude with recommended reduction procedures.

  8. Infrared spectroscopic imaging of kidney tumor tissue

    NASA Astrophysics Data System (ADS)

    Sablinskas, V.; Steiner, G.; Koch, E.; Ceponkus, J.; Pucetaite, M.; Strazdaite, S.; Urboniene, V.; Jankevicius, F.

    2011-02-01

    Infrared spectroscopic imaging of cancerous kidney tissue was performed by means of FTIR microscopy. The spectra of thin tissue cryosections were collected with 64x64 MCT FPA detector and imaging area was increased up to 5.4×5.4 mm by mapping by means of PC controlled x,y stage. Chemical images of the samples were constructed using statistical treatment of the raw spectra. Several unsupervised and supervised statistical methods were used. The imaging results are compared with results of the standard histopathological analysis. It was concluded that application of method of cluster analysis ensures the best contrast of the images. It was found that border between cancerous and normal tissues visible in the infrared spectroscopic image corresponds with the border visible in histopathological image. Closer examination of the infrared spectroscopic image reveals that small domains of cancerous cells are found beyond the border in areas distant from the border up to 3 mm. Such domains are not visible in the histopathological images. The smallest domains found in the infrared images are approx. 60 ?m.

  9. Determination of structural and vibrational spectroscopic features of neutral and anion forms of dinicotinic acid by using NMR, infrared and Raman experimental methods combined with DFT and HF.

    PubMed

    Kose, E; Bardak, F; Atac, A; Karabacak, M; Cipiloglu, M A

    2013-10-01

    In this study; the experimental (NMR, infrared and Raman) and theoretical (HF and DFT) analysis of dinicotinic acid were presented. (1)H and (13)C NMR spectra were recorded in DMSO solution and chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The vibrational spectra of dinicotinic acid were recorded by FT-Raman and FT-IR spectra in the range of 4000-10 cm(-1) and 4000-400 cm(-1), respectively. To determine the most stable neutral conformer of molecule, the selected torsion angle was changed every 10° and molecular energy profile was calculated from 0° to 360°. The geometrical parameters and energies were obtained for all conformers form from density functional theory (DFT/B3LYP) and HF with 6-311++G(d,p) basis set calculations. However, the results of the most stable neutral and two anion forms (anion(-1) and anion(-2) forms) of dinicotinic acid are reported here. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational wavenumbers, calculated with scaled quantum mechanics (SQM) method and PQS program. PMID:23747433

  10. Standard test method for determination of impurities in plutonium: acid dissolution, ion exchange matrix separation, and inductively coupled plasma-atomic emission spectroscopic (ICP/AES) analysis

    E-print Network

    American Society for Testing and Materials. Philadelphia

    2003-01-01

    1.1 This specification covers blended uranium trioxide (UO3), U3O8, or mixtures of the two, powders that are intended for conversion into a sinterable uranium dioxide (UO2) powder by means of a direct reduction process. The UO2 powder product of the reduction process must meet the requirements of Specification C 753 and be suitable for subsequent UO2 pellet fabrication by pressing and sintering methods. This specification applies to uranium oxides with a 235U enrichment less than 5 %. 1.2 This specification includes chemical, physical, and test method requirements for uranium oxide powders as they relate to the suitability of the powder for storage, transportation, and direct reduction to UO2 powder. This specification is applicable to uranium oxide powders for such use from any source. 1.3 The scope of this specification does not comprehensively cover all provisions for preventing criticality accidents, for health and safety, or for shipping. Observance of this specification does not relieve the user of th...

  11. Spectroscopic characterization of zirconium(IV) and hafniumf(IV) gallate phthalocyanines in monolithic silica gels obtained by sol gel method

    NASA Astrophysics Data System (ADS)

    Gerasymchuk, Y. S.; Chernii, V. Ya.; Tomachynski, L. A.; Legendziewicz, J.; Radzki, St.

    2005-07-01

    The Zr(IV) and Hf(IV) phthalocyanines, with gallate as axial ligand coordinated to the central metal atom of phthalocyanine, were incorporated in silica gels during sol-gel process with using tetraethyl orthosilicate (TEOS) as precursor. The obtained mixed inorganic-organic composites were transparent and homogeneous. The absorption and emission properties of these materials in comparison with the spectra of the Zr(IV) and Hf(IV) phthalocyanines in various solvents were investigated. The spectra were correlated with various stage of the sol-gel process. It was established that in the gels concurrence of the monomer and dimer form is different in sol, alco-, hydro- and xerogels. The intensive 700-725 nm fluorescence emission upon relatively long-wavelength excitation and unusually large (about 45 nm) Stokes shift in the Q region, suggest that Zr(IV) and Hf(IV) phthalocyanines could be considered as photosensitizers in the PDT method (photodynamic therapy).

  12. Spatially resolved energy dispersive x-ray spectroscopic method for in-situ evaluation of mechanical properties during the growth of a C - Pt composite nanowire

    SciTech Connect

    Banerjee, Amit; Banerjee, S. S., E-mail: satyajit@iitk.ac.in [Department of Physics, Indian Institute of Technology Kanpur, Kanpur, 208016 (India)

    2014-05-15

    A core-shell type C-Pt composite nanowire is fabricated using focused ion and electron beam induced chemical vapor deposition techniques. Using information from spatially resolved energy dispersive x-ray spectra, we detect the resonance vibration in the C-Pt composite nanowire. We use this method to measure the Young's moduli of the constituents (C, Pt) of the composite nanowire and also estimate the density of the FEB CVD grown Pt shell surrounding the C core. By measuring the resonance characteristics of the composite nanowire we estimate a Pt shell growth rate of ?0.9 nms{sup ?1}. The study is analyzed to suggest that the Pt shell growth mechanism is primarily governed by the sticking coefficient of the organometallic vapor on the C nanowire core.

  13. Infrared and Raman spectroscopic methods for characterization of Taxus baccata L. - Improved taxane isolation by accelerated quality control and process surveillance.

    PubMed

    Gudi, Gennadi; Krähmer, Andrea; Koudous, Iraj; Strube, Jochen; Schulz, Hartwig

    2015-10-01

    Different yew species contain poisonous taxane alkaloids which serve as resources for semi-synthesis of anticancer drugs. The highly variable amounts of taxanes demand new methods for fast characterization of the raw plant material and the isolation of the target structures during phyto extraction. For that purpose, applicability of different vibrational spectroscopy methods in goods receipt of raw plant material and in process control was investigated and demonstrated in online tracking isolation and purification of the target taxane 10-deacetylbaccatin III (10-DAB) during solvent extraction. Applying near (NIRS) and mid infrared spectroscopy (IRS) the amount of botanical impurities in mixed samples of two different yew species (R(2)=0.993), the leave-to-wood ratio for Taxus baccata material (R(2)=0.94) and moisture in dried yew needles (R(2)=0.997) can be quantified. By partial least square analysis (PCA) needles of different Coniferales species were successfully discriminated by Attenuated Total Reflectance-Fourier-Transform Infrared Spectroscopy (ATR-FT-IR). The analytical potential of ATR-FT-IR and Fourier Transform-Raman Spectroscopy (FT-RS) in process control of extraction and purification of taxanes is demonstrated for determination of the water content in methanolic yew extracts (R(2)=0.999) and for quantification of 10-DAB (R(2)=0.98) on a highly sophisticated level. The decrease of 10-DAB in the plant tissue during extraction was successfully visualized by FT-IR imaging of thin cross sections providing new perspectives for process control and design. PMID:26078126

  14. Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach

    NASA Astrophysics Data System (ADS)

    Paczkowska, Magdalena; Lewandowska, Kornelia; Bednarski, Waldemar; Mizera, Miko?aj; Podborska, Agnieszka; Krause, Anna; Cielecka-Piontek, Judyta

    2015-04-01

    Vibrational (FT-IR, Raman) and electronic (UV, EPR) spectral measurements were performed for an analysis of rutin (quercetin-3-O-rutinoside) obtained from Rutaofficinalis. The identification of rutin was done with the use of FT-IR and Raman spectra. Those experimental spectra were determined with the support of theoretical calculations based on a DFT method with the B3LYP hybrid functional and 6-31G(d,p) basis set. The application of UV and EPR spectra was found to be a suitable analytical approach to the evaluation of changes in rutin exposed to certain physicochemical factors. Differences in absorbance observed in direct UV spectra were used to monitor changes in the concentration of rutin in degraded samples. Spectra of electron paramagnetic resonance allowed studying the process of free-radical quenching in rutin following its exposure to light. The molecular electrostatic potential (MEP) and frontier molecular orbitals (LUMO-HOMO) were also determined in order to predict structural changes and reactive sites in rutin.

  15. Application of spectroscopic methods for identification (FT-IR, Raman spectroscopy) and determination (UV, EPR) of quercetin-3-O-rutinoside. Experimental and DFT based approach.

    PubMed

    Paczkowska, Magdalena; Lewandowska, Kornelia; Bednarski, Waldemar; Mizera, Miko?aj; Podborska, Agnieszka; Krause, Anna; Cielecka-Piontek, Judyta

    2015-04-01

    Vibrational (FT-IR, Raman) and electronic (UV, EPR) spectral measurements were performed for an analysis of rutin (quercetin-3-O-rutinoside) obtained from Rutaofficinalis. The identification of rutin was done with the use of FT-IR and Raman spectra. Those experimental spectra were determined with the support of theoretical calculations based on a DFT method with the B3LYP hybrid functional and 6-31G(d,p) basis set. The application of UV and EPR spectra was found to be a suitable analytical approach to the evaluation of changes in rutin exposed to certain physicochemical factors. Differences in absorbance observed in direct UV spectra were used to monitor changes in the concentration of rutin in degraded samples. Spectra of electron paramagnetic resonance allowed studying the process of free-radical quenching in rutin following its exposure to light. The molecular electrostatic potential (MEP) and frontier molecular orbitals (LUMO-HOMO) were also determined in order to predict structural changes and reactive sites in rutin. PMID:25589394

  16. Spectroscopic investigation (FTIR spectrum), NBO, HOMO-LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

    NASA Astrophysics Data System (ADS)

    Sherin Percy Prema Leela, J.; Hemamalini, R.; Muthu, S.; Al-Saadi, Abdulaziz A.

    2015-07-01

    Capsicum a hill grown vegetable is also known as red pepper or chili pepper. Capsaicin(8-Methyl-N-vanillyl-6-nonenamide) is the active component in chili peppers, which is currently used in the treatment of osteoarthritis, psoriasis and cancer. Fourier transform infrared (FT-IR) spectrum of Capsaicin in the solid phase were recorded in the region 4000-400 cm-1 and analyzed. The vibrational frequencies of the title compound were obtained theoretically by DFT/B3LYP calculations employing the standard 6-311++G(d,p) basis set and were compared with Fourier transform infrared spectrum. Complete vibrational assignment analysis and correlation of the fundamental modes for the title compound were carried out. The vibrational harmonic frequencies were scaled using scale factor, yielding a good agreement between the experimentally recorded and the theoretically calculated values. Stability of the molecule arising from hyper conjugative interactions, charge delocalization and intra molecular hydrogen bond-like weak interaction has been analyzed using Natural bond orbital (NBO) analysis by using B3LYP/6-311++G(d,p) method. The results show that electron density (ED) in the ?? and ?? antibonding orbitals and second-order delocalization energies E (2) confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The dipole moment (?), polarizability (?) and the hyperpolarizability (?) values of the molecule has been computed. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated.

  17. Spectroscopic and electrical studies on Nd3+, Zr4+ ions doped nano-sized BaTiO3 ferroelectrics prepared by sol-gel method

    NASA Astrophysics Data System (ADS)

    Sameera Devi, Ch.; Kumar, G. S.; Prasad, G.

    2015-02-01

    Lead free ferroelectric ceramics in the form of Ba(1-3x)Nd(2x)Ti(1-y)ZryO3 ((where x = 0.025, y = 0 (BT1), 0.025 (BT2), 0.05 (BT3)) were prepared using sol-gel method. The surface morphology and the orientation of grains of the present ceramics were examined using Field Emission Scanning Electron Microscope (FESEM) images. The effect of Nd3+, Zr4+ ions content on the BaTiO3 was studied using Raman and Fourier Transform Infrared (FTIR) spectroscopies. From the Raman analysis the band observed at ?838 cm-1 was attributed due to the presence of Nd3+-barium vacancy pairs. The FTIR studies suggested that the addition of Nd3+ ions in A-site of BaTiO3 (ABO3) perovskite create lattice distortion by forming A-site vacancies and Zr4+ ions in B-site of BaTiO3 induce the lattice distortion by forming ZrO6 octahedra in the place of TiO6 octahedra. Dielectric measurements of the samples were done at different frequencies from RT-150 °C. Charge transportation phenomenon is explained using DC conductivity, which is found to increase with temperature.

  18. Spectroscopic and electrical studies on Nd(3+), Zr(4+) ions doped nano-sized BaTiO3 ferroelectrics prepared by sol-gel method.

    PubMed

    Sameera Devi, Ch; Kumar, G S; Prasad, G

    2015-02-01

    Lead free ferroelectric ceramics in the form of Ba(1-3x)Nd(2x)Ti(1-y)ZryO3 ((where x=0.025, y=0 (BT1), 0.025 (BT2), 0.05 (BT3)) were prepared using sol-gel method. The surface morphology and the orientation of grains of the present ceramics were examined using Field Emission Scanning Electron Microscope (FESEM) images. The effect of Nd(3+), Zr(4+) ions content on the BaTiO3 was studied using Raman and Fourier Transform Infrared (FTIR) spectroscopies. From the Raman analysis the band observed at ?838 cm(-1) was attributed due to the presence of Nd(3+)-barium vacancy pairs. The FTIR studies suggested that the addition of Nd(3+) ions in A-site of BaTiO3 (ABO3) perovskite create lattice distortion by forming A-site vacancies and Zr(4+) ions in B-site of BaTiO3 induce the lattice distortion by forming ZrO6 octahedra in the place of TiO6 octahedra. Dielectric measurements of the samples were done at different frequencies from RT-150°C. Charge transportation phenomenon is explained using DC conductivity, which is found to increase with temperature. PMID:25448941

  19. Elemental and structural analysis of silicon forms in herbal drugs using silicon-29 MAS NMR and WD-XRF spectroscopic methods.

    PubMed

    Pajchel, L; Nykiel, P; Kolodziejski, W

    2011-12-01

    The objective of this work was to study concentration of silicon and its structural forms present in herbal drugs. Equisetum arvense and Urtica dioica L. from teapot bags, dietary supplements (tablets and capsules) containing those herbs, dry extract obtained from a teapot bag of E. arvense, and samples of the latter herb harvested in wild habitat over four months were studied using wavelength dispersive X-ray spectroscopy (WD-XRF) and high-resolution solid-state (29)Si NMR. The highest concentration of Si, ca. 27mg/g, was found in the herbal material from the teapot bags containing E. arvense. The Si content in natural E. arvense (whole plants) increased from May to August by ca. 7mg/g, reaching value 26mg/g. Three different silicon forms were detected in the studied herbal samples: Si(OSi)4 (Q(4)), Si(OH)(OSi)3 (Q(3)) and Si(OH)2(OSi)2 (Q(2)). Those sites were populated in E. arvense in the following order: Q(4)?Q(3)>Q(2). A dramatic, ca. 50-fold decrease of the Si concentration during the infusion process was observed. The infusion process and the subsequent drying procedure augmented population of the Q(4) sites at the cost of the Q(2) sites. The WD-XRF and (29)Si NMR methods occurred useful and complementary in the study of herbal materials. PMID:21813258

  20. Combination of chiroptical, absorption and fluorescence spectroscopic methods reveals multiple, hydrophobicity-driven human serum albumin binding of the antimalarial atovaquone and related hydroxynaphthoquinone compounds.

    PubMed

    Zsila, Ferenc; Fitos, Ilona

    2010-11-01

    High-affinity human serum albumin (HSA) binding of the C3-substituted antimalarial 2-hydroxy-1,4-naphthoquinone derivative atovaquone (ATQ) has been demonstrated and studied by circular dichroism (CD), UV/VIS absorption, fluorescence spectroscopy and affinity chromatography methods. The analysis of induced CD data generated upon HSA binding of ATQ revealed two high-affinity binding sites (K(a) ? 2 × 10(6) M(-1)). CD interaction studies and displacement of specific fluorescent and radioactive marker ligands indicated the contribution of both principal drug binding sites of HSA to complexation of ATQ, and also suggested the possibility of simultaneous binding of ATQ and some other drugs (e.g. warfarin, phenylbutazone, diazepam). Comparison of UV/VIS spectra of ATQ measured in aqueous solutions indicated the prevalence of the anionic species formed by dissociation of the 2-hydroxyl group. HSA binding of related natural hydroxynaphthoquinones, lapachol and lawsone also induces similar CD spectra. The much weaker binding affinity of lawsone (K(a) ? 10(4) M(-1)) bearing no C3 substituent highlights the importance of hydrophobic interactions in the strong HSA binding of ATQ and lapachol. Since neither drug exhibited significant binding to serum ?(1)-acid glycoprotein, HSA must be the principal plasma protein for the binding and transportation of 2-hydroxy-1,4-naphthoquinone-type compounds which are ionized at physiological pH values. PMID:20737064

  1. Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Muthu, S.; Isac Paulraj, E.

    2013-04-01

    The experimental and theoretical study on the structures and vibrations of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid (abbreviated as HPCBA) are presented. The FT-IR and FT-Raman spectra of the title compound have been recorded in the region 4000-400 cm-1 and 4000-100 cm-1 respectively. The molecular structures, vibrational wavenumbers, infrared intensities, Raman activities were calculated using DFT (B3LYP) method with 6-31G(d,p) basis set. The most stable conformer of HPCBA is identified from the computational results. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. Intermolecular hydrogen bonds are discussed in dimer structure of the molecule. The first order hyperpolarizability (?0) and related properties (?, ?0 and ??) of HPCBA are calculated. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. The molecule orbital contributions are studied by density of energy states (DOSs). UV-Visible spectrum of the compound was recorded in the region 200-400 nm and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach. Fukui functions, local softness and electrophilicity indices for selected atomic sites of the title compound are determined. Mulliken population analysis on atomic charges is also calculated. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures are calculated.

  2. Polymorphism of 2-nitroaniline studied by calorimetric (DSC), structural (X-ray diffraction) and spectroscopic (FT-IR, Raman, UV Vis) methods

    NASA Astrophysics Data System (ADS)

    Zych, Tomasz; Misiaszek, Tomasz; Szostak, M. Magdalena

    2007-11-01

    The separation and growth methods of three ortho-nitroaniline ( o-NA) polymorphs were found. The irreversible character of the ? ? ? and ? ? ? phase transitions was revealed by differential scanning calorimetry (DSC) measurements and microscopic hot stage observations. The X-ray structure of the ?-form was determined and compared with the ? phase structure solved by Daneshwar et al. [N.N. Daneshwar et al. Acta Crystallogr., Sect. B 34 (1978) 2507]. Intramolecular hydrogen bonding (intra H-bond) interactions are dominant in both structures. The IR and Raman spectral features of the solutions and of three polycrystalline o-NA polymorphs are specific for intramolecular resonance assisted H-bonds (RAHB's). The DFT calculations facilitated the almost complete assignments of bands to normal vibrations and the analysis of the measured spectra. The manifestations of weak inter H-bonds in the ? and ? crystals and in the vibrational spectra of all polymorphs are observed as well; the strongest inter H-bonds occur in the ? polymorph. The differences in lowest electronic transition energies of three ?, ? and ? layers explain their different colours: the yellowish-green of the ? form and the orange ones of the ?- and ?- phases. The least stable ? form is probably an amorphous one with the weakest inter H-bonds. The differences in relative orientations of the -NH 2, -NO 2 groups and phenyl rings in the ?- and ?-phases indicate that the o-NA polymorphism has conformational character.

  3. Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods.

    PubMed

    Parimala, K; Balachandran, V

    2011-10-15

    The Fourier transform infrared (FTIR) and FT Raman spectra of p-toluenesulfonyl isocyanate (p-tosyl isocyanate) have been measured. The molecular geometry, vibrational frequencies, infrared intensities, Raman activities and atomic charges have been calculated by using ab initio HF and density functional theory calculation (B3LYP) with 6-311+G(d,p) basis set. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT Raman data. The thermodynamic functions of the title compound were also performed with the aid of HF/6-311+G(d,p) and B3LYP/6-311+G(d,p) levels of theory. Simulated FTIR and FT Raman spectra for p-tosyl isocyanate showed good agreement with the observed spectra. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The dipole moment (?), polarizability (?) and the hyperpolarizability (?) values of the investigated molecule have been computed using HF and B3LYP methods. PMID:21795105

  4. Exemplification and the Example.

    ERIC Educational Resources Information Center

    Byrd, Patricia; And Others

    In an examination of effective presentation and practice of English-as-a-Second Language (ESL) instruction, this paper focuses on the ways that teachers can use examples as instructional techniques. The purpose of the paper is to clarify both the process of exemplification and its agent, examples, as they are used in ESL teaching and especially as…

  5. Spectroscopic planetary detection

    NASA Astrophysics Data System (ADS)

    Deming, D.; Espenak, F.; Hillman, J. J.; Kostiuk, T.; Mumma, M. J.; Jennings, D. E.

    1986-09-01

    The Sun-as-a-star was monitored using the McMath Fourier transform spectometer (FTS) on Kitt Peak in 1983. In 1985 the first measurement was made using the laser heterodyne technique. The FTS measurements now extend for three years, with errors of order 3 meters/sec at a given epoch. Over this 3 year period, a 33 meter/sec change was measured in the apparent velocity of integrated sunlight. The sense of the effect is that a greater blueshift is seen near solar minimum, which is consistent with expectations based on considering the changing morphology of solar granular convection. Presuming this effect is solar-cycle-related, it will mimic the Doppler reflex produced by a planetary companion of approximately two Jupiter masses, with an 11 year orbital period. Thus, Jupiter itself is below the threshold for detection by spectroscopic means, without an additional technique for discrimination. However, for planetary companions in shorter period orbits (P approx. 3 years) the threshold for unambiguous detection is well below one Jupiter mass.

  6. Spectroscopic planetary detection

    NASA Technical Reports Server (NTRS)

    Deming, D.; Espenak, F.; Hillman, J. J.; Kostiuk, T.; Mumma, M. J.; Jennings, D. E.

    1986-01-01

    The Sun-as-a-star was monitored using the McMath Fourier transform spectometer (FTS) on Kitt Peak in 1983. In 1985 the first measurement was made using the laser heterodyne technique. The FTS measurements now extend for three years, with errors of order 3 meters/sec at a given epoch. Over this 3 year period, a 33 meter/sec change was measured in the apparent velocity of integrated sunlight. The sense of the effect is that a greater blueshift is seen near solar minimum, which is consistent with expectations based on considering the changing morphology of solar granular convection. Presuming this effect is solar-cycle-related, it will mimic the Doppler reflex produced by a planetary companion of approximately two Jupiter masses, with an 11 year orbital period. Thus, Jupiter itself is below the threshold for detection by spectroscopic means, without an additional technique for discrimination. However, for planetary companions in shorter period orbits (P approx. 3 years) the threshold for unambiguous detection is well below one Jupiter mass.

  7. Spectroscopic studies of glass structure

    SciTech Connect

    Brow, R.K.

    1994-08-01

    Today`s understanding of the molecular-level structure of inorganic glasses has been transformed by the availability of a wide range of sensitive spectroscopic probes. Today we can relate glass composition to quantitative distributions of glass-forming cations and to changes in oxygen bonding and modifying cation geometries. Future spectroscopic studies will result in improved descriptions of anion and cation geometries and should provide glass scientists with the capability to optimize atomic arrangements for specific optical, electrical, and thermal properties.

  8. SDSS spectroscopic survey of stars

    SciTech Connect

    Ivezic, Zeljko; Schlegel, D.; Uomoto, A.; Bond, N.; Beers, T.; Allende Prieto, C.; Wilhelm, R.; Lee, Y.Sun; Sivarani, T.; Juric, M.; Lupton, R.; /Washington U., Seattle,

    2007-01-01

    In addition to optical photometry of unprecedented quality, the Sloan Digital Sky Survey (SDSS) is also producing a massive spectroscopic database. They discuss determination of stellar parameters, such as effective temperature, gravity and metallicity from SDSS spectra, describe correlations between kinematics and metallicity, and study their variation as a function of the position in the Galaxy. They show that stellar parameter estimates by Beers et al. show a good correlation with the position of a star in the g-r vs. u-g color-color diagram, thereby demonstrating their robustness as well as a potential for photometric parameter estimation methods. Using Beers et al. parameters, they find that the metallicity distribution of the Milky Way stars at a few kpc from the galactic plane is bimodal with a local minimum at [Z/Z{sub {circle_dot}}] {approx} -1.3. The median metallicity for the low-metallicity [Z/Z{sub {circle_dot}}] < =1.3 subsample is nearly independent of Galactic cylindrical coordinates R and z, while it decreases with z for the high-metallicity [Z/Z{sub {circle_dot}}] > -1.3 sample. they also find that the low-metallicity sample has {approx} 2.5 times larger velocity dispersion and that it does not rotate (at the {approx} 10 km/s level), while the rotational velocity of the high-metallicity sample decreases smoothly with the height above the galactic plane.

  9. Using data mining techniques to explore physicians' therapeutic decisions when clinical guidelines do not provide recommendations: methods and example for type 2 diabetes

    Microsoft Academic Search

    Massoud Toussi; Jean-Baptiste Lamy; Philippe Le Toumelin; Alain Venot

    2009-01-01

    BACKGROUND: Clinical guidelines carry medical evidence to the point of practice. As evidence is not always available, many guidelines do not provide recommendations for all clinical situations encountered in practice. We propose an approach for identifying knowledge gaps in guidelines and for exploring physicians' therapeutic decisions with data mining techniques to fill these knowledge gaps. We demonstrate our method by

  10. Interactive Methods for Teaching Action Potentials, an Example of Teaching Innovation from Neuroscience Postdoctoral Fellows in the Fellowships in Research and Science Teaching (FIRST) Program.

    PubMed

    Keen-Rhinehart, E; Eisen, A; Eaton, D; McCormack, K

    2009-01-01

    Acquiring a faculty position in academia is extremely competitive and now typically requires more than just solid research skills and knowledge of one's field. Recruiting institutions currently desire new faculty that can teach effectively, but few postdoctoral positions provide any training in teaching methods. Fellowships in Research and Science Teaching (FIRST) is a successful postdoctoral training program funded by the National Institutes of Health (NIH) providing training in both research and teaching methodology. The FIRST program provides fellows with outstanding interdisciplinary biomedical research training in fields such as neuroscience. The postdoctoral research experience is integrated with a teaching program which includes a How to Teach course, instruction in classroom technology and course development and mentored teaching. During their mentored teaching experiences, fellows are encouraged to explore innovative teaching methodologies and to perform science teaching research to improve classroom learning. FIRST fellows teaching neuroscience to undergraduates have observed that many of these students have difficulty with the topic of neuroscience. Therefore, we investigated the effects of interactive teaching methods for this topic. We tested two interactive teaching methodologies to determine if they would improve learning and retention of this information when compared with standard lectures. The interactive methods for teaching action potentials increased understanding and retention. Therefore, FIRST provides excellent teaching training, partly by enhancing the ability of fellows to integrate innovative teaching methods into their instruction. This training in turn provides fellows that matriculate from this program more of the characteristics that hiring institutions desire in their new faculty. PMID:23493377

  11. Application of Blind Deconvolution Methods in two Complex Seismological Examples: Transfert Function Evaluation (Site Effect Assessment at GVDA) and Source Wavelet Evaluation (Kursk).

    NASA Astrophysics Data System (ADS)

    Sebe, O.; Guilbert, J.; Bard, P.

    2002-12-01

    In seismology the source and the Green function are unknown, the only available information is surface or deep seismograms. So the deconvolution associated with the classical input-output system identification is impossible without strong physical assumption. Many blind deconvolution methods, recently developped in the domain of communications, aim to retrieve the unknown information of a system from output only. We apply two of these methods to seismology: the multichannel blind deconvolution to retrieve the transfert function and high order statistics to estimate source wavelet. In the first case, the multichannel method is applied in the scope of site effect estimation. It treats the problem of a signal transmitted through different channels (propagation mediums) and recorded at several receivers. From seismograms recorded at different sites, it intends to separate the common convolutive part of the signals (identified as the incident wave) and the specific site impulse response. The two main advantages of this method are that we don't need any reference site record and that the result contains the temporal properties of site responses. We test the method on a synthetic set of seismic signals based on a 1D model. We then apply it on the recordings obtained at various depths in the Garner Valley Down-hole Array. In the second case, the high order statistics blind deconvolution is applied to study the main caracteristics of Kurk's underwater explosion. It treats the problem of a source transmitted through a specific channel and recorded on single receiver. This blind deconvolution computed in bispectral and cepstral domains, gives us the opportunity to separate the wavelet (source function) and the propagation with one single geophysical assumption on the transfer function. It allows us to extract the bubble effect and the reflection at the sea surface as well as the source (amplitude and phase) from seismograms recorded at regional distance.

  12. Linking geophysics and soil function modelling - two examples

    NASA Astrophysics Data System (ADS)

    Krüger, J.; Franko, U.; Werban, U.; Dietrich, P.; Behrens, T.; Schmidt, K.; Fank, J.; Kroulik, M.

    2011-12-01

    iSOIL - "Interactions between soil related sciences - Linking geophysics, soil science and digital soil mapping" is a Collaborative Project (Grant Agreement number 211386) co-funded by the Research DG of the European Commission within the RTD activities of the FP7 Thematic Priority Environment. The iSOIL project aims at reliable mapping of soil properties and soil functions with various methods including geophysical, spectroscopic and monitoring techniques. The general procedure contains three steps (i) geophysical monitoring, (ii) generation of soil property maps and (iii) process modelling. The objective of this work is to demonstrate the methodological procedure on two different examples. Example A focuses on the turnover conditions for soil organic matter (SOM) since many soil functions in a direct or indirect way depend on SOM and SOM depletion is amongst the worst soil threats. Example B deals with the dynamics of soil water and the direct influence on crop biomass production. The applied CANDY model (Franko et al. 1995) was developed to describe dynamics of soil organic matter and mineral nitrogen as well as soil water and temperature. The new module PLUS extends CANDY to simulate crop biomass production based on environmental influences (Krüger et al. 2011). The methodological procedure of example A illustrates a model application for a field site in the Czech Republic using generated soil maps from combined geophysical data. Modelling requires a complete set of soil parameters. Combining measured soil properties and data of geophysical measurements (electrical conductivity and gamma spectrometry) is the basis for digital soil mapping which provided data about clay, silt and sand as well as SOC content. With these data pedotransfer functions produce detailed soil input data (e.g. bulk and particle density, field capacity, wilting point, saturated conductivity) for the rooted soil profile. CANDY calculated different indicators for SOM and gave hints about potential hot spots where local adaptations of agricultural management would be required to improve soil functions. Example B realizes a soil function modelling with an adapted model parameterization based on data of ground penetration radar (GPR). This work shows an approach to handle heterogeneity of soil properties with geophysical data used for modelling. The field site in Austria is characterised by highly heterogenic soil with fluvioglacial gravel sediments. The variation of thickness of topsoil above a sandy subsoil with gravels strongly influences the soil water balance. GPR detected exact soil horizon depth between topsoil and subsoil. The extension of the input data improves the model performance of CANDY PLUS for plant biomass production. Both examples demonstrate how geophysics provide a surplus of data for agroecosystem modelling which identifies and contributes alternative options for agricultural management decisions.

  13. LRC Applet: Example 2

    NSDL National Science Digital Library

    Wolfgang Christian

    All circuit components in the LRC Applet are data sources and can pass current and voltage values to a data listener. In this example, the current, voltage, and power delivered by the source are plotted on a data graph.

  14. Modular Theory by example

    E-print Network

    Fernando Lledó

    2009-01-08

    The present article contains a short introduction to Modular Theory for von Neumann algebras with a cyclic and separating vector. It includes the formulation of the central result in this area, the Tomita-Takesaki theorem, and several of its consequences. We illustrate this theory through several elementary examples. We also present more elaborate examples and compute modular objects for a discrete crossed product and for the algebra of canonical anticommutation relations (CAR-algebra) in a Fock representation.

  15. Polarization sensitive spectroscopic optical coherence tomography for multimodal imaging

    NASA Astrophysics Data System (ADS)

    Str?kowski, Marcin R.; Kraszewski, Maciej; Str?kowska, Paulina; Trojanowski, Micha?

    2015-03-01

    Optical coherence tomography (OCT) is a non-invasive method for 3D and cross-sectional imaging of biological and non-biological objects. The OCT measurements are provided in non-contact and absolutely safe way for the tested sample. Nowadays, the OCT is widely applied in medical diagnosis especially in ophthalmology, as well as dermatology, oncology and many more. Despite of great progress in OCT measurements there are still a vast number of issues like tissue recognition or imaging contrast enhancement that have not been solved yet. Here we are going to present the polarization sensitive spectroscopic OCT system (PS-SOCT). The PS-SOCT combines the polarization sensitive analysis with time-frequency analysis. Unlike standard polarization sensitive OCT the PS-SOCT delivers spectral information about measured quantities e.g. tested object birefringence changes over the light spectra. This solution overcomes the limits of polarization sensitive analysis applied in standard PS-OCT. Based on spectral data obtained from PS-SOCT the exact value of birefringence can be calculated even for the objects that provide higher order of retardation. In this contribution the benefits of using the combination of time-frequency and polarization sensitive analysis are being expressed. Moreover, the PS-SOCT system features, as well as OCT measurement examples are presented.

  16. A numerical method for retrieving high oxygen isotope temperatures from plutonic igneous rocks: An example from the Laramie Anorthosite Complex, Wyoming, USA

    SciTech Connect

    Farquhar, J.; Chacko, T. (Univ. of Alberta, Edmonton (Canada). Dept. of Geology); Frost, B.R. (Univ. of Wyoming, Laramie, WY (United States))

    1992-01-01

    The Sybille Pit is a late-stage magnetite-ilmenite-plagioclase-bearing differentiate of the Laramie Anorthosite with a wide range of grain sizes and modal mineralogy. This variability makes Sybille an ideal locality in which to study the factors that affect isotopic thermometry in plutonic environments. The authors have developed a numerical model based on isotope exchange trajectories that retrieves close to magmatic temperatures for samples from Sybille. This method is based on the premise that hand sample-scale sub-systems close to exchange with each other at temperatures that exceed those of the constituent minerals. The temperature of hand-sample scale closure is retrieved by back calculating the isotope exchange trajectories to the temperature at which two samples with widely different model compositions are in isotopic equilibrium. Application of these methods to samples from Sybille provides promising results. Whereas conventional isotopic thermometry of individual samples yields a wide range of temperatures ([approximately]600 to > 1000 C) depending on the mineral-pair chosen, application of this numerical model to multiple samples yields temperatures of 1,070 [+-] 100 C which corresponds closely to the inferred solidus for these rocks.

  17. Active Learning with Irrelevant Examples

    NASA Technical Reports Server (NTRS)

    Wagstaff, Kiri; Mazzoni, Dominic

    2009-01-01

    An improved active learning method has been devised for training data classifiers. One example of a data classifier is the algorithm used by the United States Postal Service since the 1960s to recognize scans of handwritten digits for processing zip codes. Active learning algorithms enable rapid training with minimal investment of time on the part of human experts to provide training examples consisting of correctly classified (labeled) input data. They function by identifying which examples would be most profitable for a human expert to label. The goal is to maximize classifier accuracy while minimizing the number of examples the expert must label. Although there are several well-established methods for active learning, they may not operate well when irrelevant examples are present in the data set. That is, they may select an item for labeling that the expert simply cannot assign to any of the valid classes. In the context of classifying handwritten digits, the irrelevant items may include stray marks, smudges, and mis-scans. Querying the expert about these items results in wasted time or erroneous labels, if the expert is forced to assign the item to one of the valid classes. In contrast, the new algorithm provides a specific mechanism for avoiding querying the irrelevant items. This algorithm has two components: an active learner (which could be a conventional active learning algorithm) and a relevance classifier. The combination of these components yields a method, denoted Relevance Bias, that enables the active learner to avoid querying irrelevant data so as to increase its learning rate and efficiency when irrelevant items are present. The algorithm collects irrelevant data in a set of rejected examples, then trains the relevance classifier to distinguish between labeled (relevant) training examples and the rejected ones. The active learner combines its ranking of the items with the probability that they are relevant to yield a final decision about which item to present to the expert for labeling. Experiments on several data sets have demonstrated that the Relevance Bias approach significantly decreases the number of irrelevant items queried and also accelerates learning speed.

  18. A near-infrared reflectance spectroscopy method for direct analysis of several chemical components and properties of fruit, for example, Chinese hawthorn.

    PubMed

    Dong, Wenjiang; Ni, Yongnian; Kokot, Serge

    2013-01-23

    Near-infrared spectroscopy (NIRS) calibrations were developed for the discrimination of Chinese hawthorn (Crataegus pinnatifida Bge. var. major) fruit from three geographical regions as well as for the estimation of the total sugar, total acid, total phenolic content, and total antioxidant activity. Principal component analysis (PCA) was used for the discrimination of the fruit on the basis of their geographical origin. Three pattern recognition methods, linear discriminant analysis, partial least-squares-discriminant analysis, and back-propagation artificial neural networks, were applied to classify and compare these samples. Furthermore, three multivariate calibration models based on the first derivative NIR spectroscopy, partial least-squares regression, back-propagation artificial neural networks, and least-squares-support vector machines, were constructed for quantitative analysis of the four analytes, total sugar, total acid, total phenolic content, and total antioxidant activity, and validated by prediction data sets. PMID:23265446

  19. Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2 o as an example.

    PubMed

    Müller, Carsten; Spångberg, Daniel

    2015-07-01

    Combining classical force fields for the Hartree-Fock (HF) part and the method of increments for post-HF contributions, we calculate the cohesive energy of the ordered and randomly disordered nitrous oxide (N2 O) solid. At 0 K, ordered N2 O is most favorable with a cohesive energy of -27.7 kJ/mol. At temperatures above 60 K, more disordered structures become compatible and a phase transition to completely disordered N2 O is predicted. Comparison with experiment in literature suggests that experimentally prepared N2 O crystals are mainly disordered due to a prohibitively high activation energy of ordering processes. © 2015 Wiley Periodicals, Inc. PMID:25976008

  20. Example 1: social stratification Example 2: methadone patients

    E-print Network

    Hennig, Christian

    Example 1: social stratification Example 2: methadone patients Example 3: Gaussian mixtures and BIC: social stratification Example 2: methadone patients Example 3: Gaussian mixtures and BIC Conclusion Example 1: social stratification Hennig & Liao (2013) looked for evidence for social strata in 2007 US

  1. Utilization of the limit equilibrium and finite element methods for the stability analysis of the slope debris: An example of the Kalebasi District (NE Turkey)

    NASA Astrophysics Data System (ADS)

    Alemdag, Selcuk; Kaya, Ayberk; Karadag, Mustafa; Gurocak, Zulfu; Bulut, Fikri

    2015-06-01

    The stability of the slope debris in residential area of the Kalebasi District (Ozkurtun-Gumushane) was investigated using the Limit Equilibrium (LE) and Finite Element Shear-Strength Reduction (FE-SSR) methods. Along the survey lines, four trial pits were dug and fourteen boreholes having a total length of 345 m were drilled. Also, seismic refraction studies were conducted along the five lines. According to the field studies, thickness of the slope debris covering the 98 ha of the study area varies between 1 and 36 m. To determine the physical and shear strength properties of the slope debris, undisturbed samples were taken from the trial pits. As a result of the laboratory tests, soil categories of the debris were found to be as Clayey Sand (SC), Silty Sand (SM) and Low Plasticity Clay (CL). The deformation-controlled shear box tests were carried out to determine the shear strength parameters of the slope debris. According to these tests it was found that the peak cohesion and peak friction angle varies between 2.63-16.35 kN/m2 and 20-27°, respectively. Stability analyses were performed using the obtained data from field and laboratory investigations in the Slide v5.0 and Phase2 v6.0 software programs and results were compared. In LE stability analyses, the factor of safety (FOS) of survey lines were found to be as 1.44, 1.80, 1.96, and 1.72; however for the FE-SSR method they were determined as 1.39, 1.72, 1.59, and 1.58, respectively.

  2. A comparison between univariate probabilistic and multivariate (logistic regression) methods for landslide susceptibility analysis: the example of the Febbraro valley (Northern Alps, Italy)

    NASA Astrophysics Data System (ADS)

    Rossi, M.; Apuani, T.; Felletti, F.

    2009-04-01

    The aim of this paper is to compare the results of two statistical methods for landslide susceptibility analysis: 1) univariate probabilistic method based on landslide susceptibility index, 2) multivariate method (logistic regression). The study area is the Febbraro valley, located in the central Italian Alps, where different types of metamorphic rocks croup out. On the eastern part of the studied basin a quaternary cover represented by colluvial and secondarily, by glacial deposits, is dominant. In this study 110 earth flows, mainly located toward NE portion of the catchment, were analyzed. They involve only the colluvial deposits and their extension mainly ranges from 36 to 3173 m2. Both statistical methods require to establish a spatial database, in which each landslide is described by several parameters that can be assigned using a main scarp central point of landslide. The spatial database is constructed using a Geographical Information System (GIS). Each landslide is described by several parameters corresponding to the value of main scarp central point of the landslide. Based on bibliographic review a total of 15 predisposing factors were utilized. The width of the intervals, in which the maps of the predisposing factors have to be reclassified, has been defined assuming constant intervals to: elevation (100 m), slope (5 °), solar radiation (0.1 MJ/cm2/year), profile curvature (1.2 1/m), tangential curvature (2.2 1/m), drainage density (0.5), lineament density (0.00126). For the other parameters have been used the results of the probability-probability plots analysis and the statistical indexes of landslides site. In particular slope length (0 ÷ 2, 2 ÷ 5, 5 ÷ 10, 10 ÷ 20, 20 ÷ 35, 35 ÷ 260), accumulation flow (0 ÷ 1, 1 ÷ 2, 2 ÷ 5, 5 ÷ 12, 12 ÷ 60, 60 ÷27265), Topographic Wetness Index 0 ÷ 0.74, 0.74 ÷ 1.94, 1.94 ÷ 2.62, 2.62 ÷ 3.48, 3.48 ÷ 6,00, 6.00 ÷ 9.44), Stream Power Index (0 ÷ 0.64, 0.64 ÷ 1.28, 1.28 ÷ 1.81, 1.81 ÷ 4.20, 4.20 ÷ 9.40). Geological map and land use map were also used, considering geological and land use properties as categorical variables. Appling the univariate probabilistic method the Landslide Susceptibility Index (LSI) is defined as the sum of the ratio Ra/Rb calculated for each predisposing factor, where Ra is the ratio between number of pixel of class and the total number of pixel of the study area, and Rb is the ratio between number of landslides respect to the pixel number of the interval area. From the analysis of the Ra/Rb ratio the relationship between landslide occurrence and predisposing factors were defined. Then the equation of LSI was used in GIS to trace the landslide susceptibility maps. The multivariate method for landslide susceptibility analysis, based on logistic regression, was performed starting from the density maps of the predisposing factors, calculated with the intervals defined above using the equation Rb/Rbtot, where Rbtot is a sum of all Rb values. Using stepwise forward algorithms the logistic regression was performed in two successive steps: first a univariate logistic regression is used to choose the most significant predisposing factors, then the multivariate logistic regression can be performed. The univariate regression highlighted the importance of the following factors: elevation, accumulation flow, drainage density, lineament density, geology and land use. When the multivariate regression was applied the number of controlling factors was reduced neglecting the geological properties. The resulting final susceptibility equation is: P = 1 / (1 + exp-(6.46-22.34*elevation-5.33*accumulation flow-7.99* drainage density-4.47*lineament density-17.31*land use)) and using this equation the susceptibility maps were obtained. To easy compare the results of the two methodologies, the susceptibility maps were reclassified in five susceptibility intervals (very high, high, moderate, low and very low) using natural breaks. Then the maps were validated using two cumulative distribution curves, one related to the landslides (number of landslides in e

  3. Examples of sackungen in the French Western Alps and their geochronology based on the 10Be cosmic ray exposure dating method (Invited)

    NASA Astrophysics Data System (ADS)

    Hippolyte, J.; Bourles, D. L.; Braucher, R.; Léanni, L.; Chauvet, F.; Lebatard, A.; Arnold, M.; Aumaître, G.; Keddadouche, K.

    2013-12-01

    In the French Alps, sackung scarps were often interpreted as surface traces of active faults. A detailed mapping of the Arc and Rognier mountains shows that these scarps result from deep-seated gravitational slope deformation (DSGSD). They are short (less than 2.1 km long), numerous and organized in swarms (5.3 km long at the Arc; 9 km long at Rognier). There are mainly uphill facing scarps developed on steep slopes. Open tension cracks are present at ridge tops. These sackung fractures created ridge-top troughs, closed depressions and multiple-crests landforms. That the sackung scarps are parallel to the contour lines, and that they result from opening of fractures or from normal slips, indicates that they are controlled by topography and gravity. In the Western Alps, glacial erosion and subsequent debuttressing of oversteepened slopes seem to be the main factors for the occurrence of sackungen. However, gradual loss of rock strength, groundwater fluctuations, subsidence due to evaporite dissolution and earthquake shaking, may contribute to their formation. For a better understanding of the origin of sackungen, chronological data are crucial. We used the cosmic ray exposure (CRE) dating method for deciphering the activity of the Arc and Rognier sackungen. This method allows quantification of the exposure duration of a surface to cosmic rays, by measuring the amount of accumulated cosmogenic nuclides in surficial rocks. Because sackung scarps usually form in hard rocks containing quartz, we used the 10Be cosmogenic nuclide which is produced in situ by spallation reactions on Si and O (36Cl can be used for limestone). The measurements were performed at ASTER, the French accelerator mass spectrometry facility located at the CEREGE laboratory in Aix-en-Provence. The CRE dating method allows direct dating of most of the geomorphologic structures involved in sackungen: sackung fault scarps, rock slopes, debris slopes, screes, rock glaciers, glacier-polished rock surface... In the Alps, the sackung faults are frequently found cutting relict rock glaciers. Our five samples of these periglacial landforms provide similar ages for the two studied areas (Arcs and Rognier) clustered between 11.5 and 9.4 ka BP. Sampling a single fault scarp at different heights allowed us to determine average slip rates (between 0.3 and 3.2 mm yr-1 at Rognier) and to estimate when the scarps initiated. The age of a scarp could also be accessed by sampling faulted debris slopes. Because sampling multiples scarps for CRE dating is relatively easy, we can access the geochronology of a whole sackung structure (22 CRE ages at Rognier). We found that the Arcs sackung and the Rognier sackung had contrasting behaviors and mechanisms. At the Arcs, DSGSD occurred through flexural toppling, with an upslope migration of the activity that stopped after a few thousand years (activity between 12 ka and 8 ka BP). At the Rognier Mountain, DSGSD occurred through deep conjugate faults. The fault slips are concomitant. Gravitational speading started before 12 ka and is probably still active at the same rate.

  4. A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples

    NASA Astrophysics Data System (ADS)

    Dutta, Achintya Kumar; Vaval, Nayana; Pal, Sourav

    2015-01-01

    We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N6 does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

  5. Evaluation of endogenous allergens for the safety evaluation of genetically engineered food crops: review of potential risks, test methods, examples and relevance.

    PubMed

    Goodman, Richard E; Panda, Rakhi; Ariyarathna, Harsha

    2013-09-01

    The safety of food produced from genetically engineered (GE) crops is assessed for potential risks of food allergy on the basis of an international consensus guideline outlined by the Codex Alimentarius Commission (2003). The assessment focuses on evaluation of the potential allergenicity of the newly expressed protein(s) as the primary potential risk using a process that markedly limits risks to allergic consumers. However, Codex also recommended evaluating a second concern, potential increases in endogenous allergens of commonly allergenic food crops that might occur due to insertion of the gene. Unfortunately, potential risks and natural variation of endogenous allergens in non-GE varieties are not understood, and risks from increases have not been demonstrated. Because regulatory approvals in some countries are delayed due to increasing demands for measuring endogenous allergens, we present a review of the potential risks of food allergy, risk management for food allergy, and test methods that may be used in these evaluations. We also present new data from our laboratory studies on the variation of the allergenic lipid transfer protein in non-GE maize hybrids as well as data from two studies of endogenous allergen comparisons for three GE soybean lines, their nearest genetic soy lines, and other commercial lines. We conclude that scientifically based limits of acceptable variation cannot been established without an understanding of natural variation in non-GE crops. Furthermore, the risks from increased allergen expression are minimal as the risk management strategy for food allergy is for allergic individuals to avoid consuming any food containing their allergenic source, regardless of the crop variety. PMID:23848840

  6. Reconstruction of Detached Divertor Plasma Conditions in DIII-D Using Spectroscopic and Probe Data

    SciTech Connect

    Stangeby, P; Fenstermacher, M

    2004-12-03

    For some divertor aspects, such as detached plasmas or the private flux zone, it is not clear that the controlling physics has been fully identified. This is a particular concern when the details of the plasma are likely to be important in modeling the problem--for example, modeling co-deposition in detached inner divertors. An empirical method of ''reconstructing'' the plasma based on direct experimental measurements may be useful in such situations. It is shown that a detached plasma in the outer divertor leg of DIII-D can be reconstructed reasonably well using spectroscopic and probe data as input to a simple onion-skin model and the Monte Carlo hydrogenic code, EIRENE. The calculated 2D distributions of n{sub e} and T{sub e} in the detached divertor were compared with direct measurements from the divertor Thomson scattering system, a diagnostic capability unique to DIII-D.

  7. Soft tissue imaging with photon counting spectroscopic CT.

    PubMed

    Shikhaliev, Polad M

    2015-03-21

    The purpose of this work was experimental investigation of photon counting spectroscopic CT (PCS-CT) imaging of anatomical soft tissue with clinically relevant size. The imaging experiments were performed using a spectroscopic CT system based on CdZnTe photon counting detector with two rows of pixels, 256 pixels in each row, 1? × ?1?mm(2)?pixel size, and 25.6?cm detector length. The detector could split the x-ray energy spectrum to 5 regions (energy bins), and acquire 5 multi-energy (spectroscopic) CT images in a single CT scan. A sample of round shaped anatomical soft tissue of 14?cm diameter including lean and fat was used for imaging. To avoid the negative effect of anatomical noise on quantitative analysis, a spectroscopic CT phantom with tissue equivalent solid materials was used. The images were acquired at 60, 90, and 120?kVp tube voltages, and spectroscopic image series were acquired with 3 and 5 energy bins. Spectroscopic CT numbers were introduced and used to evaluate an energy selective image series. The anatomical soft tissue with 14?cm diameter was visualized with good quality and without substantial artifacts by the photon counting spectroscopic CT system. The effects of the energy bin crosstalk on spectroscopic CT numbers were quantified and analyzed. The single and double slice PCS-CT images were acquired and compared. Several new findings were observed, including the effect of soft tissue non-uniformity on image artifacts, unique status of highest energy bin, and material dependent visualization in spectroscopic image series. Fat-lean decomposition was performed using dual energy subtraction and threshold segmentation methods, and compared. Using K-edge filtered x-rays improved fat-lean decomposition as compared to conventional x-rays. Several new and important aspects of the PCS-CT were investigated. These include imaging soft tissue with clinically relevant size, single- and double-slice PCS-CT imaging, using spectroscopic CT numbers to quantify multi-energy PCS-CT images, application of K-edge filtered x-rays for improved soft tissue decomposition, and several others. The study suggests that the presented PCS-CT technology meets the requirements of a particular clinical application, i.e. dedicated breast CT. PMID:25739788

  8. Utility of telephone survey methods in population-based health studies of older adults: an example from the Alberta Older Adult Health Behavior (ALERT) study

    PubMed Central

    2014-01-01

    Background Random digit dialing is often used in public health research initiatives to accrue and establish a study sample; however few studies have fully described the utility of this approach. The primary objective of this paper was to describe the implementation and utility of using random digit dialing and Computer Assisted Telephone Interviewing (CATI) for sampling, recruitment and data collection in a large population-based study of older adults [Alberta Older Adult Health Behavior (ALERT) study]. Methods Using random digit dialing, older adults (>?=?55?years) completed health behavior and outcome and demographic measures via CATI. After completing the CATI, participants were invited to receive a step pedometer and waist circumference tape measure via mail to gather objectively derived ambulatory activity and waist circumference assessments. Results Overall, 36,000 telephone numbers were called of which 7,013 were deemed eligible for the study. Of those, 4,913 (70.1%) refused to participate in the study and 804 (11.4%) participants were not included due to a variety of call dispositions (e.g., difficult to reach, full quota for region). A total of 1,296 participants completed telephone interviews (18.5% of those eligible and 3.6% of all individuals approached). Overall, 22.8% of households did not have an age 55+ resident and 13.6% of individuals refused to participate, Average age was 66.5?years, and 43% were male. A total of 1,081 participants (83.4%) also submitted self-measured ambulatory activity (i.e., via step pedometer) and anthropometric data (i.e., waist circumference). With the exception of income (18.7%), the rate of missing data for demographics, health behaviors, and health measures was minimal (<1%). Conclusions Older adults are willing to participate in telephone-based health surveys when randomly contacted. Researchers can use this information to evaluate the feasibility and the logistics of planned studies using a similar population and study design. PMID:24884997

  9. A DVD Spectroscope: A Simple, High-Resolution Classroom Spectroscope

    ERIC Educational Resources Information Center

    Wakabayashi, Fumitaka; Hamada, Kiyohito

    2006-01-01

    Digital versatile disks (DVDs) have successfully made up an inexpensive but high-resolution spectroscope suitable for classroom experiments that can easily be made with common material and gives clear and fine spectra of various light sources and colored material. The observed spectra can be photographed with a digital camera, and such images can…

  10. Halo Nucleus Be11: A Spectroscopic Study via Neutron Transfer

    NASA Astrophysics Data System (ADS)

    Schmitt, K. T.; Jones, K. L.; Bey, A.; Ahn, S. H.; Bardayan, D. W.; Blackmon, J. C.; Brown, S. M.; Chae, K. Y.; Chipps, K. A.; Cizewski, J. A.; Hahn, K. I.; Kolata, J. J.; Kozub, R. L.; Liang, J. F.; Matei, C.; Matoš, M.; Matyas, D.; Moazen, B.; Nesaraja, C.; Nunes, F. M.; O'Malley, P. D.; Pain, S. D.; Peters, W. A.; Pittman, S. T.; Roberts, A.; Shapira, D.; Shriner, J. F., Jr.; Smith, M. S.; Spassova, I.; Stracener, D. W.; Villano, A. N.; Wilson, G. L.

    2012-05-01

    The best examples of halo nuclei, exotic systems with a diffuse nuclear cloud surrounding a tightly bound core, are found in the light, neutron-rich region, where the halo neutrons experience only weak binding and a weak, or no, potential barrier. Modern direct-reaction measurement techniques provide powerful probes of the structure of exotic nuclei. Despite more than four decades of these studies on the benchmark one-neutron halo nucleus Be11, the spectroscopic factors for the two bound states remain poorly constrained. In the present work, the Be10(d,?p) reaction has been used in inverse kinematics at four beam energies to study the structure of Be11. The spectroscopic factors extracted using the adiabatic model were found to be consistent across the four measurements and were largely insensitive to the optical potential used. The extracted spectroscopic factor for a neutron in an n?j=2s1/2 state coupled to the ground state of Be10 is 0.71(5). For the first excited state at 0.32 MeV, a spectroscopic factor of 0.62(4) is found for the halo neutron in a 1p1/2 state.

  11. Halo Nucleus 11Be: A Spectroscopic Study via Neutron Transfer

    SciTech Connect

    Schmitt, Kyle [University of Tennessee, Knoxville (UTK); Jones, K. L. [University of Tennessee, Knoxville (UTK); Bey, A. [University of Tennessee, Knoxville (UTK); Ahn, S.H. [University of Tennessee, Knoxville (UTK); Bardayan, Daniel W [ORNL; Blackmon, Jeffery C [Louisiana State University; Brown, S. [University of Surrey, UK; Chae, Kyung Yuk [ORNL; Chipps, K. [Colorado School of Mines, Golden; Cizewski, J. A. [Rutgers University; Kozub, R. L. [Tennessee Technological University; Liang, J Felix [ORNL; Matei, Catalin [Oak Ridge Associated Universities (ORAU); Matos, M. [Louisiana State University; Moazen, Brian H [ORNL; Nesaraja, Caroline D [ORNL; Nunes, F. M. [Michigan State University, East Lansing; O'Malley, Patrick [Rutgers University; Pain, Steven D [ORNL; Peters, W. A. [Rutgers University; Pittman, S. T. [University of Tennessee, Knoxville (UTK); Wilson, G. [University of Surrey, UK

    2012-01-01

    The best examples of halo nuclei, exotic systems with a diffuse nuclear cloud surrounding a tightly bound core, are found in the light, neutron-rich region, where the halo neutrons experience only weak binding and a weak, or no, potential barrier. Modern direct-reaction measurement techniques provide powerful probes of the structure of exotic nuclei. Despite more than four decades of these studies on the benchmark one-neutron halo nucleus 11Be, the spectroscopic factors for the two bound states remain poorly constrained. In the present work, the 10Be d;p reaction has been used in inverse kinematics at four beam energies to study the structure of 11Be. The spectroscopic factors extracted using the adiabatic model were found to be consistent across the four measurements and were largely insensitive to the optical potential used. The extracted spectroscopic factor for a neutron in an n j 2s1=2 state coupled to the ground state of 10Be is 0.71(5). For the first excited state at 0.32 MeV, a spectroscopic factor of 0.62(4) is found for the halo neutron in a 1p1=2 state.

  12. Halo nucleus Be-11: A spectroscopic study via neutron transfer

    E-print Network

    K. T. Schmitt; K. L. Jones; A. Bey; S. H. Ahn; D. W. Bardayan; J. C. Blackmon; S. M. Brown; K. Y. Chae; K. A. Chipps; J. A. Cizewski; K. I. Hahn; J. J. Kolata; R. L. Kozub; J. F. Liang; C. Matei; M. Matoš; D. Matyas; B. Moazen; C. Nesaraja; F. M. Nunes; P. D. O'Malley; S. D. Pain; W. A. Peters; S. T. Pittman; A. Roberts; D. Shapira; J. F. Shriner Jr; M. S. Smith; I. Spassova; D. W. Stracener; A. N. Villano; G. L. Wilson

    2012-03-19

    The best examples of halo nuclei, exotic systems with a diffuse nuclear cloud surrounding a tightly-bound core, are found in the light, neutron-rich region, where the halo neutrons experience only weak binding and a weak, or no, potential barrier. Modern direct reaction measurement techniques provide powerful probes of the structure of exotic nuclei. Despite more than four decades of these studies on the benchmark one-neutron halo nucleus Be-11, the spectroscopic factors for the two bound states remain poorly constrained. In the present work, the Be-10(d,p) reaction has been used in inverse kinematics at four beam energies to study the structure of Be-11. The spectroscopic factors extracted using the adiabatic model, were found to be consistent across the four measurements, and were largely insensitive to the optical potential used. The extracted spectroscopic factor for a neutron in a nlj = 2s1/2 state coupled to the ground state of Be-10 is 0.71(5). For the first excited state at 0.32 MeV, a spectroscopic factor of 0.62(4) is found for the halo neutron in a 1p1/2 state.

  13. Fourier transform infared spectroscopic imaging for the identification of concealed drug residue particles and fingerprints

    NASA Astrophysics Data System (ADS)

    Ricci, Camilla; Chan, K. L. Andrew; Kazarian, Sergei G.

    2006-09-01

    Conventional FTIR spectroscopy and microscopy has been widely used in forensic science. New opportunities exist to obtain rapid chemical images and to enhance the sensitivity of detection of trace materials using attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy coupled with a focal-plane array (FPA) detector. In this work, the sensitivity of ATR-FTIR spectroscopic imaging using three different kinds of ATR crystals (Ge coupled with an infrared microscope, ZnSe and diamond) and resulting in three different optical arrangements for the detection of model drug particles is discussed. Model systems of ibuprofen and paracetamol particles having a size below 32 micrometers have been prepared by sieving. The sensitivity level in the three different approaches has been compared and it has been found that both micro and macro-ATR imaging methods have proven to be a promising techniques for the identification of concealed drug particles. To demonstrate the power and applicability of FTIR chemical imaging to forensic research, various examples are discussed. This includes investigation of the changes of chemical nature of latent fingerprint residue under controlled conditions of humidity and temperature studied by ATR-FTIR imaging. This study demonstrates the potential of spectroscopic imaging for visualizing the chemical changes of fingerprints.

  14. Load Applet: Example 2

    NSDL National Science Digital Library

    Wolfgang Christian

    The unknown component in the Load Applet is a data source object. It can, therefore, pass its current and voltage values to any data listener. In this example the voltage across the load and the unknown resistor are plotted on a data graph as the resistance slider is moved.

  15. Interaction: Examples and Possibilities.

    ERIC Educational Resources Information Center

    Schick, James B. M.

    2000-01-01

    Explores examples of software that employs interactivity to engage students in a dialogue with the past: (1) "Reverse America"; (2) "Pilgrims and Indians"; (3) "Keys to Victory in the War for Independence"; (4) "Monmouth"; (5) "Critical Period"; (6) "Translating"; (7) "Founders"; and (8) "Convention". (CMK)

  16. IZ Applet: Example 3

    NSDL National Science Digital Library

    Wolfgang Christian

    The unknown circuit component in IZApplet is a data source. It can, therefore, pass its current and voltage values to a data listener. In this example, the current, voltage, and power absorbed by the unknown device are plotted on a data graph.

  17. IZ Applet: Example 2

    NSDL National Science Digital Library

    Wolfgang Christian

    The unknown component in the IZApplet is a data source object. It can, therefore, pass its current and voltage values to any data listener. In this example, the current, voltage, and power absorbed by the unknown device are plotted on a data graph.

  18. Relevance Vector Sinc Example

    E-print Network

    Penny, Will

    Learning Self-Inhibition Receptive Fields References Sparsity Will Penny 24th March 2011 #12;Sparsity Recurrent Lateral Inhibition Predictive Coding Hebbian Learning Sparse Coding MAP Learning Self Hebbian Learning Sparse Coding MAP Learning Self-Inhibition Receptive Fields References Kernel For example

  19. Effects of Worked Examples, Example-Problem, and Problem-Example Pairs on Novices' Learning

    ERIC Educational Resources Information Center

    van Gog, Tamara; Kester, Liesbeth; Paas, Fred

    2011-01-01

    Research has demonstrated that instruction that relies more heavily on example study is more effective for novices' learning than instruction consisting of problem solving. However, "a heavier reliance on example study" has been implemented in different ways. For example, worked examples only (WE), example-problem pairs (WE-PS), or problem-example

  20. Build an Overhead Projector Spectroscope

    NSDL National Science Digital Library

    David A. Katz

    2002-01-01

    This activity guide includes instructions for building a spectroscope using a standard classroom overhead projector. Learners can participate in the construction of the device or simply use it to explore light and the color spectrum. Learners can experiment with colored acetate film filters and bottles of colored solutions to see how they absorb and transmit light.

  1. Spectroscopic study of solar twins and analogues

    NASA Astrophysics Data System (ADS)

    Datson, Juliet; Flynn, Chris; Portinari, Laura

    2015-02-01

    Context. Many large stellar surveys have been and are still being carried out, providing huge amounts of data, for which stellar physical parameters will be derived. Solar twins and analogues provide a means to test the calibration of these stellar catalogues because the Sun is the best-studied star and provides precise fundamental parameters. Solar twins should be centred on the solar values. Aims: This spectroscopic study of solar analogues selected from the Geneva-Copenhagen Survey (GCS) at a resolution of 48 000 provides effective temperatures and metallicities for these stars. We test whether our spectroscopic parameters, as well as the previous photometric calibrations, are properly centred on the Sun. In addition, we search for more solar twins in our sample. Methods: The methods used in this work are based on literature methods for solar twin searches and on methods we developed in previous work to distinguish the metallicity-temperature degeneracies in the differential comparison of spectra of solar analogues versus a reference solar reflection spectrum. Results: We derive spectroscopic parameters for 148 solar analogues (about 70 are new entries to the literature) and verify with a-posteriori differential tests that our values are well-centred on the solar values. We use our dataset to assess the two alternative calibrations of the GCS parameters; our methods favour the latest revision. We show that the choice of spectral line list or the choice of asteroid or time of observation does not affect the results. We also identify seven solar twins in our sample, three of which are published here for the first time. Conclusions: Our methods provide an independent means to differentially test the calibration of stellar catalogues around the values of a well-known benchmark star, which makes our work interesting for calibration tests of upcoming Galactic surveys. Based on observations made with ESO Telescopes at the La Silla Observatory under programme ID 077.D-0525 and 090.D-0133.Table 1 is also available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/574/A124Full Table 5 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/574/A124

  2. Arsenate Adsorption On Ruthenium Oxides: A Spectroscopic And Kinetic Investigation

    EPA Science Inventory

    Arsenate adsorption on amorphous (RuO2?1.1H2O) and crystalline (RuO2) ruthenium oxides was evaluated using spectroscopic and kinetic methods to elucidate the adsorption mechanism. Extended X-ray absorption fine structure spectroscopy (EXAFS) was ...

  3. Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets

    Microsoft Academic Search

    Andrew Craig; Olivier Cloarec; Elaine Holmes; Jeremy K. Nicholson; John C. Lindon

    2006-01-01

    Considerable confusion appears to exist in the metabo- nomics literature as to the real need for, and the role of, preprocessing the acquired spectroscopic data. A number of studies have presented various data manipulation approaches, some suggesting an optimum method. In metabonomics, data are usually presented as a table where each row relates to a given sample or analytical experiment

  4. Single Cell Detection Capability of an Optofluidic Spectroscopic Biosensor

    E-print Network

    Lear, Kevin L.

    Single Cell Detection Capability of an Optofluidic Spectroscopic Biosensor H. Shao, D. Kumar, and K and differentiate single cells. Transmission spectra of single biological cells including yeast cells and human. A method for spectral correlation is also presented to verify the preliminary results of the single cell

  5. Experimental Mathematics: Examples, Methods and Implications

    E-print Network

    Borwein, Jonathan

    in mathematics just the same as in physics. Kurt G¨odel2 1 Introduction Recent years have seen the flowering. Borel, Lecons sur la theorie des fonctions, 1928. 2 Kurt G¨odel, Collected Works, Vol. III, 1951. 1 #12

  6. Paleomagnetic dating: Methods, MATLAB software, example

    NASA Astrophysics Data System (ADS)

    Hnatyshin, Danny; Kravchinsky, Vadim A.

    2014-09-01

    A MATLAB software tool has been developed to provide an easy to use graphical interface for the plotting and interpretation of paleomagnetic data. The tool takes either paleomagnetic directions or paleopoles and compares them to a user defined apparent polar wander path or secular variation curve to determine the age of a paleomagnetic sample. Ages can be determined in two ways, either by translating the data onto the reference curve, or by rotating it about a set location (e.g. sampling location). The results are then compiled in data tables which can be exported as an excel file. This data can also be plotted using variety of built-in stereographic projections, which can then be exported as an image file. This software was used to date the giant Sukhoi Log gold deposit in Russia. Sukhoi Log has undergone a complicated history of faulting, folding, metamorphism, and is the vicinity of many granitic bodies. Paleomagnetic analysis of Sukhoi Log allowed for the timing of large scale thermal or chemical events to be determined. Paleomagnetic analysis from gold mineralized black shales was used to define the natural remanent magnetization recorded at Sukhoi Log. The obtained paleomagnetic direction from thermal demagnetization produced a paleopole at 61.3°N, 155.9°E, with the semi-major axis and semi-minor axis of the 95% confidence ellipse being 16.6° and 15.9° respectively. This paleopole is compared to the Siberian apparent polar wander path (APWP) by translating the paleopole to the nearest location on the APWP. This produced an age of 255.2- 31.0+ 32.0Ma and is the youngest well defined age known for Sukhoi Log. We propose that this is the last major stage of activity at Sukhoi Log, and likely had a role in determining the present day state of mineralization seen at the deposit.

  7. Optical wavelength selection for improved spectroscopic photoacoustic imaging?

    PubMed Central

    Luke, Geoffrey P.; Nam, Seung Yun; Emelianov, Stanislav Y.

    2013-01-01

    Spectroscopic photoacoustic imaging has the potential to become a powerful tool that can estimate distributions of optically absorbing chromophores in the body. We have developed an algorithm to select imaging wavelengths for spectroscopic photoacoustics given the spectra of expected chromophores. The algorithm uses the smallest singular value of a matrix constructed from the absorption spectra as a criterion to remove extraneous wavelengths. The method performed significantly better than an approach where evenly spaced wavelengths were used in the presence of noise and wavelength-dependent attenuation of light in tissue. Finally, the algorithm was applied to photoacoustic imaging of a phantom containing indocyanine green dye and silica-coated gold nanorods, demonstrating significant improvements in the ability to estimate relative contrast agent concentrations compared to the case where evenly spaced wavelengths were chosen. In summary, our work provides a versatile framework to select optical wavelengths and evaluate sets of absorbers for spectroscopic photoacoustic imaging. PMID:25302148

  8. RC Applet: Example 2

    NSDL National Science Digital Library

    Wolfgang Christian

    All circuit components in the RC Applet are data sources and can pass current and voltage values to a data listener. In this example, the current, voltage, and power delivered by the source are plotted on a data graph. Notice the the power, i.e., the blue graph, is negative for some portion of each cycle but that it is positive when averaged over a whole cycle.

  9. Learning from examples: from theory to practice

    SciTech Connect

    Hush, D. R. (Donald R.); Scovel, James C.; Kelly, P. M. (Patrick M.); Howse, J. W. (James W.); Fugate, M. L. (Michael L.); Cannon, A. (Adam)

    2001-01-01

    This tutorial provides an overview of the problem of learning from examples. Emphasis is placed on fundamental limitations in three areas: approximation, estimation and computation. Each of these is compared and contrasted in situations where the problem is one of regression verses pattern classification, parametric versus nonparametric, and linear versus nonlinear. General methods for improving generalization and computation speed are discussed, and practical examples are used to illustrate these methods.

  10. Calibrating Redshift Distributions Beyond Spectroscopic Limits with Cross-Correlations

    E-print Network

    Jeffrey A. Newman

    2008-05-12

    We describe a new method for measuring the true redshift distribution of any set of objects studied only photometrically. The angular cross-correlation between objects in a photometric sample with objects in some spectroscopic sample as a function of the spectroscopic z, in combination with standard correlation measurements, provides sufficient information to reconstruct the true redshift distribution of the photometric sample. This technique enables the robust calibration of photometric redshifts even beyond spectroscopic limits. The spectroscopic sample need not resemble the photometric one in galaxy properties, but must overlap in sky coverage and redshift range. We test this new technique with Monte Carlo simulations using realistic error estimates. RMS errors in recovering both the mean and sigma of the true, Gaussian redshift distribution of a single photometric redshift bin are 1.4x10^(-3) (sigma_z/0.1) (Sigma_p/10)^(-0.3) (dN_s/dz / 25,000)^(-0.5), where sigma_z is the true sigma of the redshift distribution, Sigma_p is the surface density of the photometric sample in galaxies/arcmin^2, and dN_s/dz is the number of galaxies with a spectroscopic redshift per unit z. We test the impact of redshift outliers and of a variety of sources of systematic error; none dominate measurement uncertainties in reasonable scenarios. With this method, the true redshift distributions of even arbitrarily faint photometric redshift samples may be determined to the precision required by proposed dark energy experiments (errors in mean and sigma below 3x10^(-3) at z~1) using expected extensions of current spectroscopic samples.

  11. Working Towards Accreditation by the International Standards Organization 15189 Standard: How to Validate an In-house Developed Method an Example of Lead Determination in Whole Blood by Electrothermal Atomic Absorption Spectrometry

    PubMed Central

    Ramirez, Jose Manuel; Vest, Philippe; Chianea, Denis; Renard, Christophe

    2014-01-01

    Laboratories working towards accreditation by the International Standards Organization (ISO) 15189 standard are required to demonstrate the validity of their analytical methods. The different guidelines set by various accreditation organizations make it difficult to provide objective evidence that an in-house method is fit for the intended purpose. Besides, the required performance characteristics tests and acceptance criteria are not always detailed. The laboratory must choose the most suitable validation protocol and set the acceptance criteria. Therefore, we propose a validation protocol to evaluate the performance of an in-house method. As an example, we validated the process for the detection and quantification of lead in whole blood by electrothermal absorption spectrometry. The fundamental parameters tested were, selectivity, calibration model, precision, accuracy (and uncertainty of measurement), contamination, stability of the sample, reference interval, and analytical interference. We have developed a protocol that has been applied successfully to quantify lead in whole blood by electrothermal atomic absorption spectrometry (ETAAS). In particular, our method is selective, linear, accurate, and precise, making it suitable for use in routine diagnostics. PMID:25187889

  12. Spectroscopic imaging of serum proteins using quantum cascade lasers.

    PubMed

    Mukherjee, Anadi; Bylund, Quentin; Prasanna, Manu; Margalit, Yotam; Tihan, Tarik

    2013-03-01

    First measurements of biomedical imaging using quantum cascade lasers (QCL) are presented. We report spectroscopic imaging of serum proteins using QCLs as an example for monitoring surface biocontamination. We found that dry smears of human serum can be spectroscopically imaged, identified, and quantified with high sensitivity and specificity. The core parts of the imaging platform consist of optically multiplexing three QCLs and an uncooled microbolometer camera. We show imaging of human serum proteins at 6.1, 9.25, and 9.5 ?m QCLs with high sensitivity and specificity. The sensitivity limit of 3???g/cm² of the human serum spot was measured at an S/N=3.The specificity of human serum detection was measured at 99% probability at a threshold of 77???g/cm². We anticipate our imaging technique to be a starting point for more sophisticated biomolecular diagnostic applications. PMID:23515866

  13. Spectroscopic metallicities of Vega-like stars

    NASA Astrophysics Data System (ADS)

    Saffe, C.; Gómez, M.; Pintado, O.; González, E.

    2008-10-01

    Aims: We aim to determine the metallicities of 113 Southern Hemisphere Vega-like candidate stars in relation to the giant exoplanet host group and field stars. Methods: We applied two spectroscopic methods of abundance determinations: equivalent width measurements together with the ATLAS9 model atmospheres and the WIDTH9 program, and a comparison of observed spectra with a grid of synthetic spectra. Results: For the Vega-like group, the metallicities are indistinguishable from those of field stars not known to be associated with planets or disks. This result is quite different from the metallicities of giant exoplanet host stars, which are metal-rich in comparison to field stars. Tables 1-4 are only available in electronic form at http://www.aanda.org

  14. Spectroscopic detection of nitrogen concentrations in sagebrush

    SciTech Connect

    J. J. MITCHELL; N. F. GLENN; T.T. SANKEY; D. R. DERRYBERRY; R. C. HRUSKA; M. O. Anderson

    2012-07-01

    The ability to estimate foliar nitrogen (N) in semi-arid landscapes can yield information on nutritional status and improve our limited understanding of controls on canopy photosynthesis. We examined two spectroscopic methods for estimating sagebrush dried leaf and live shrub N content: first derivative reflectance (FDR) and continuum removal. Both methods used partial least squares (PLS) regression to select wavebands most significantly correlated with N concentrations in the samples. Sagebrush dried leaf spectra produced PLS models (R2 = 0.76–0.86) that could predict N concentrations within the dataset more accurately than PLS models generated from live shrub spectra (R2 = 0.41–0.63). Inclusion of wavelengths associated with leaf water in the FDR transformations appeared to improve regression results. Findings are encouraging and warrant further exploration into sagebrush reflectance spectra to characterize N concentrations.

  15. Spectroscopic metallicities of Vega-like stars

    E-print Network

    C. Saffe; M. Gomez; O. Pintado; E. Gonzalez

    2008-05-26

    Aims: To determine the metallicities of 113 Southern Hemisphere Vega-like candidate stars in relation to the Exoplanet host group and field stars. Methods: We applied two spectroscopic methods of abundance determinations: equivalent width measurements together with the ATLAS9 (Kurucz 1993) model atmospheres and the WIDTH9 program, and a comparison of observed spectra with the grid of synthetic spectra of Munari et al. (2005). Results: For the Vega-like group, the metallicities are indistinguishable from those of field stars not known to be associated with planets or disks. This result is quite different from the metallicities of Exoplanet host stars which are metal-rich in comparison to field stars.

  16. Spectroscopic metallicities of Vega-like stars

    E-print Network

    Saffe, C; Pintado, O; González, E

    2008-01-01

    Aims: To determine the metallicities of 113 Southern Hemisphere Vega-like candidate stars in relation to the Exoplanet host group and field stars. Methods: We applied two spectroscopic methods of abundance determinations: equivalent width measurements together with the ATLAS9 (Kurucz 1993) model atmospheres and the WIDTH9 program, and a comparison of observed spectra with the grid of synthetic spectra of Munari et al. (2005). Results: For the Vega-like group, the metallicities are indistinguishable from those of field stars not known to be associated with planets or disks. This result is quite different from the metallicities of Exoplanet host stars which are metal-rich in comparison to field stars.

  17. Aristotle's Example: The Rhetorical Induction.

    ERIC Educational Resources Information Center

    Benoit, William Lyon

    1980-01-01

    Examines the concept of example in Aristotle's inventional theory. Rejects recent claims that the example reasons from part to part, without a mediating generalization, and then explicates Aristotle's view of the example. (JMF)

  18. Optical Spectroscopic Diagnostics Of The Goals Sample.

    NASA Astrophysics Data System (ADS)

    Rich, Jeffrey; Kewley, L.; Armus, L.; Evans, A.; Sanders, D.; Mazzarella, J.; GOALS Team

    2009-05-01

    The GOALS sample consists of the most IR luminous (LIR > 1011) nearby (z < 0.08) galaxies. The survey itself combines a complete Spitzer imaging and spectroscopic dataset with imaging data from Hubble, Chandra and GALEX for the more luminous portion of the sample. Study of these luminous and ultraluminous infrared galaxies (U/LIRGs) provides critical insight into highly dynamic, active systems. LIRGs are key laboratories for investigating galaxy evolution and account for the majority of the IR luminosity function out to z 1. In order to better understand these systems, it is crucial to investigate their power sources and environments at all possible wavelengths. Traditional optical emission line diagnostics provide a well-tested method for evaluating galactic environments. We present a systematic analysis of optical emission line diagnostics compiled from existing optical spectroscopy of the GOALS sample. The data consists of measurements from the literature, archived spectra and some new observations. We consistently apply the same criteria for diagnosing the galaxy type. We discuss how our results compare with other diagnostics of starburst, AGN and shocks and how LIRGs compare to other samples. We also present plans for future optical spectroscopic observations of the complete sample, including observations with the new WiFeS integral field unit.

  19. Spectroscopic Binaries in Planetary Nebulae

    E-print Network

    Howard E. Bond

    2005-10-04

    It is already known that about 10% of central stars of PNe are very short-period binaries (hours to days), which are detected through photometric variations. These must have been formed through common-envelope interactions in initially wide binaries, accompanied by ejection of the envelope and its subsequent photoionization as a PN. Radial-velocity observations by ourselves and others are now suggesting that an even larger fraction of planetary nuclei may be spectroscopic binaries, making the total binary fraction very large. However, we have not as yet been able to rule out the possibility that the apparent velocity changes are actually due to stellar-wind variations. Pending follow-up spectroscopic observations with large telescopes, it presently appears plausible that binary-star ejection is the major formation channel for planetary nebulae.

  20. Spectroscopic characterization of polymers: report

    SciTech Connect

    Koenig, J.L.

    1987-10-01

    Polymer characterization has presented major difficulties to the analytical chemist, who has had to develop techniques to cope with the challenge. Even the elementary problem of measuring molecular weight is not easy. Yet such measurements are essential, because the physical, mechanical, and flow properties depend on the length of the polymer chain. Because of the limited solubility and high viscosity of polymers, many classical techniques have been of little use or have had to be extensively modified to measure the molecular weight of polymers. Size-exclusion chromatographic techniques such as gel permeation have been developed to measure these molecular weight distributions. Special chromatographic instruments with a range of spectroscopic detectors (including infrared and laser-light scattering) have emerged commercially to aid the analytical chemist in the fundamental endeavor to measure the length of the polymer chain and its distribution. The author describes the advantages and disadvantages and disadvantages of various spectroscopic techniques.

  1. Type Ia Supernovae: Spectroscopic Surprises

    E-print Network

    David Branch

    2003-10-23

    Recent observations have extended the range of diversity among spectra of Type Ia supernovae. I briefly discuss SN Ia explosion models in the spectroscopic context, the observed diversity, and some recent results from direct analysis with the Synow code for one normal and two peculiar SNe Ia. Relating the observational manifestations of diversity to their physical causes is looking like an ever more challenging problem.

  2. Spectroscopic study of early-type multiple stellar systems. I. Orbits of spectroscopic binary subsystems

    NASA Astrophysics Data System (ADS)

    Veramendi, M. E.; González, J. F.

    2014-03-01

    Context. The present knowledge of stellar properties and dynamical structure of early-type multiple stellar systems is insufficient to offer useful statistical constraints for stellar formation models. Aims: To increase the amount of observational information about the characteristics of early-type multiples, we carried out a spectroscopic monitoring to search for new spectroscopic components and to determine their orbits. Methods: We observed 30 early-type multiple systems using the 2.15 m telescope and REOSC echelle spectrograph at the Complejo Astronómico El Leoncito (CASLEO) during 10 observing runs between 2008 and 2013. We measured radial velocities by cross-correlations and applied a spectral disentangling method to double-lined systems. We calculated orbital elements for the inner subsystem of each analysed multiple. Results: In this first paper we present calculated orbits for six previously catalogued subsystems. Three subsystems had no previously published parameters, while we obtained more accurate orbits for the other three. In one case we found absolute masses and radii for the components by using available photometric data. Conclusions: The long-term spectroscopic monitoring of multiple systems is a useful method of investigating the companions in intermediate hierarchical levels, particularly those that could affect the dynamical evolution of a close inner binary subsystem. Reduced spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/563/A138 Warning, no authors found for 2014A&A...564A..12.

  3. SYNCHROTRON-BASED SPECTROSCOPIC TECHNIQUES: UOSSBAUER AND HIGH.RESOLUTION INELASTIC

    E-print Network

    Jackson, Jennifer M.

    -ray scattering, phonon density ofstates, sound velocities l. Synchrotron Miissbauer Spectroscopy (SMSSYNCHROTRON-BASED SPECTROSCOPIC TECHNIQUES: UOSSBAUER AND HIGH.RESOLUTION INELASTIC SCATTERING synchrotron-based spectroscopy methods like nuclear resonant forward scattering ("synchrotron Mcissbauer

  4. Visualizing the zero order basis of the spectroscopic Hamiltonian

    NASA Astrophysics Data System (ADS)

    Barnes, George L.; Kellman, Michael E.

    2012-01-01

    Recent works have shown that a generalization of the spectroscopic effective Hamiltonian can describe spectra in surprising regions, such as isomerization barriers. In this work, we seek to explain why the effective Hamiltonian is successful where there was reason to doubt that it would work at all. All spectroscopic Hamiltonians have an underlying abstract zero-order basis (ZOB) which is the "ideal" basis for a given form and parameterization of the Hamiltonian. Without a physical model there is no way to transform this abstract basis into a coordinate representation. To this end, we present a method of obtaining the coordinate space representation of the abstract ZOB of a spectroscopic effective Hamiltonian. This method works equally well for generalized effective Hamiltonians that encompass above-barrier multiwell behavior, and standard effective Hamiltonians for the vicinity of a single potential minimum. Our approach relies on a set of converged eigenfunctions obtained from a variational calculation on a potential surface. By making a one-to-one correspondence between the energy eigenstates of the effective Hamiltonian and those of the coordinate space Hamiltonian, a physical representation of the abstract ZOB is calculated. We find that the ZOB basis naturally adjusts its complexity depending on the underlying nature of phase space, which allows spectroscopic Hamiltonians to succeed for systems sampling multiple stationary points.

  5. Spectroscopic investigation of old planetaries V. Distance scales

    E-print Network

    Ralf Napiwotzki

    2001-01-08

    We use the results of our recent NLTE model atmosphere analysis of central stars of old planetary nebulae (PN) to calculate distances. We perform a comparison with three other methods (trigonometric parallaxes, interstellar NaD lines, and Shklovsky distances) and discuss the problem of the PNe distance scale. The result of the comparison of our spectroscopic distances with the trigonometric distances is that the spectroscopic distances are 55% larger. Since using trigonometric parallaxes with large relative measurement errors can introduce systematic errors, we carried out a Monte Carlo simulation of the biases introduced by selection effects and measurement errors. It turns out that a difference between both distance scales of the observed size is expected for the present day data if the underlying distance scales are identical. Thus our finding is essentially a confirmation of the spectroscopic distance scale! Good agreement is found between the spectroscopic distances and distances derived from the interstellar NaD lines. All three independent methods of distance measurement indicate that the widely used "statistical" distance scales of the Shklovsky type are too short for old PNe. A correlation with nebular radii exists. The most likely explanation is an underestimate of the nebula masses for large PN. Implications for the nebula masses are discussed. Estimates of the PNe space density and birthrate, which are based on Shklovsky type distances, therefore give too large values.

  6. Introduction Examples of Granular Behavior

    E-print Network

    Kuhn, Matthew R.

    Introduction Examples of Granular Behavior Origins and Scaling of Behavior Summary Scaling http:// www.egr.up.edu / contrib / kuhn LATEX #12;Introduction Examples of Granular Behavior Origins and Scaling of Behavior Summary Outline 1 Introduction 2 Examples of Granular Behavior Softening examples

  7. Absorption spectroscopic study of EDA complexes of.

    PubMed

    Bhattacharya, S; Nayak, S K; Chattopadhyay, S K; Banerjee, M; Mukherjee, A K

    2001-02-01

    [70]Fullerene has been shown to form 1:1 molecular complexes with toluene, p-xylene, m-xylene, 1,2,4,5-tetramethyl benzene (durene) and pentamethyl benzene (PMB) in CCl4 medium by absorption spectroscopic method. Isosbestic points have been detected in case of complexes with PMB and durene. Charge transfer absorption band could not be detected but the intensity of the broad absorption band of C70 in CCl4 decreases systematically with increase in the concentration of the added methylbenzenes. From this trend the formation constants (Kc) of the complexes have been determined at three different wavelengths. The constancy of Kc with respect to change in the wavelength of measurement supports the view that complex of a single stoichiometry (1:1) is formed in each case. PMID:11206565

  8. Infrared spectroscopic diagnostics for Active Galactic Nuclei

    E-print Network

    Luigi Spinoglio

    2007-09-26

    Infrared spectroscopy in the mid- and far-infrared provides powerful diagnostics for studying the emission regions in active galaxies. The large variety of ionic fine structure lines can probe gas conditions in a variety of physical conditions, from highly ionized gas excited by photons originated by black hole accretion to gas photoionized by young stellar systems. The critical density and the ionization potential of these transitions allow to fully cover the density-ionization parameter space. Some examples of line ratios diagrams using both mid-infrared and far-infrared ionic fine structure lines are presented. The upcoming space observatory Herschel will be able to observe the far-infrared spectra of large samples of local active galaxies. Based on the observed near-to-far infrared emission line spectrum of the template galaxy NGC1068, are presented the predictions for the line fluxes expected for galaxies at high redshift. To observe spectroscopically large samples of distant galaxies, we will have to wait fot the future space missions, like SPICA and, ultimately, FIRI.

  9. Using spectroscopic data to disentangle stellar population properties

    E-print Network

    N. Cardiel; J. Gorgas; P. Sanchez-Blazquez; A. J. Cenarro; S. Pedraz; G. Bruzual; J. Klement

    2003-06-26

    It is well known that, when analyzed at the light of current synthesis model predictions, variations in the physical properties of single stellar populations (e.g. age, metallicity, initial mass function, element abundance ratios) may have a similar effect in their integrated spectral energy distributions. The confusion is even worsened when more realistic scenarios, i.e. composite star formation histories, are considered. This is, in fact, one of the major problems when facing the study of stellar populations in star clusters and galaxies. Typically, the observational efforts have been aimed to find the most appropriate spectroscopic indicators in order to avoid, as far as possible, degeneracies in the parameter space. However, from a practical point of view, the most suited observables are not, necessarily, those that provide more orthogonality in that parameter space, but those that give the best balance between parameter degeneracy and sensitivity to signal-to-noise ratio per Angstrom, SN_A. In order to achieve the minimum combined total error in the derived physical parameters, this work discusses how the functional dependence of typical line-strength indices and colors on SN_A allows to define a suitability parameter which helps to obtain better realistic combinations of spectroscopic data. As an example, we discuss in more detail the problem of breaking the well known age-metallicity degeneracy in relatively old stellar populations, comparing the suitability of different spectroscopic diagrams for a simple stellar population of solar metallicity and 12 Gyr old.

  10. Spectroscopic signature for ferroelectric ice

    NASA Astrophysics Data System (ADS)

    Wójcik, Marek J.; G?ug, Maciej; Boczar, Marek; Boda, ?ukasz

    2014-09-01

    Various forms of ice exist within our galaxy. Particularly intriguing type of ice - ‘ferroelectric ice' was discovered experimentally and is stable in temperatures below 72 K. This form of ice can generate enormous electric fields and can play an important role in planetary formation. In this letter we present Car-Parrinello simulation of infrared spectra of ferroelectric ice and compare them with spectra of hexagonal ice. Librational region of the spectra can be treated as spectroscopic signature of ice XI and can be of help to identify ferroelectric ice in the Universe.

  11. Hard examples for resolution

    Microsoft Academic Search

    Alasdair Urquhart

    1987-01-01

    Exponential lower bounds are proved for the length-of-resolution refutations of sets of disjunctions constructed from expander graphs, using the method of Tseitin. Since these sets of clauses encode biconditionals, they have short (polynomial-length) refutations in a standard axiomatic formulation of propositional calculus.

  12. The Spectroscopic Diversity of Type Ia Supernovae

    NASA Astrophysics Data System (ADS)

    Blondin, S.; Matheson, T.; Kirshner, R. P.; Mandel, K. S.; Berlind, P.; Calkins, M.; Challis, P.; Garnavich, P. M.; Jha, S. W.; Modjaz, M.; Riess, A. G.; Schmidt, B. P.

    2012-05-01

    We present 2603 spectra of 462 nearby Type Ia supernovae (SNe Ia), including 2065 previously unpublished spectra, obtained during 1993-2008 through the Center for Astrophysics Supernova Program. There are on average eight spectra for each of the 313 SNe Ia with at least two spectra. Most of the spectra were obtained with the FAST spectrograph at the Fred Lawrence Whipple Observatory 1.5 m telescope and reduced in a consistent manner, making this data set well suited for studies of SN Ia spectroscopic diversity. Using additional data from the literature, we study the spectroscopic and photometric properties of SNe Ia as a function of spectroscopic class using the classification schemes of Branch et al. and Wang et al. The width-luminosity relation appears to be steeper for SNe Ia with broader lines, although the result is not statistically significant with the present sample. Based on the evolution of the characteristic Si II ?6355 line, we propose improved methods for measuring velocity gradients, revealing a larger range than previously suspected, from ~0 to ~400 km s-1 day-1 considering the instantaneous velocity decline rate at maximum light. We find a weaker and less significant correlation between Si II velocity and intrinsic B - V color at maximum light than reported by Foley et al., owing to a more comprehensive treatment of uncertainties and host galaxy dust. We study the extent of nuclear burning and the presence of unburnt carbon in the outermost layers of the ejecta and report new detections of C II ?6580 in 23 early-time SN Ia spectra. The frequency of C II detections is not higher in SNe Ia with bluer colors or narrower light curves, in conflict with the recent results of Thomas et al. Based on nebular spectra of 27 SNe Ia, we find no relation between the FWHM of the iron emission feature at ~4700 Å and ?m 15(B) after removing the two low-luminosity SN 1986G and SN 1991bg, suggesting that the peak luminosity is not strongly dependent on the kinetic energy of the explosion for most SNe Ia. Finally, we confirm the correlation of velocity shifts in some nebular lines with the intrinsic B - V color of SNe Ia at maximum light, although several outliers suggest a possible non-monotonic behavior for the largest blueshifts. Based in part on observations obtained at the F. L. Whipple Observatory, which is operated by the Smithsonian Astrophysical Observatory, the MMT Observatory, a joint facility of the Smithsonian Institution and the University of Arizona, and with the 6.5 m Magellan Telescopes located at Las Campanas Observatory, Chile.

  13. Spectroscopic factors for bound s-wave states derived from neutron scattering lengths

    E-print Network

    P. Mohr; H. Herndl; H. Oberhummer

    1996-12-18

    A simple and model-independent method is described to derive neutron single-particle spectroscopic factors of bound s-wave states in $^{A+1}Z = ^{A}Z \\otimes n$ nuclei from neutron scattering lengths. Spectroscopic factors for the nuclei ^{13}C, ^{14}C, ^{16}N, ^{17}O, ^{19}O, ^{23}Ne, ^{37}Ar, and ^{41}Ar are compared to results derived from transfer experiments using the well-known DWBA analysis and to shell model calculations. The scattering length of ^{14}C is calculated from the ^{15}C_{g.s.} spectroscopic factor.

  14. Spectroscopic imaging in electron microscopy

    SciTech Connect

    Pennycook, Stephen J [ORNL; Colliex, C. [Universite Paris Sud, Orsay, France

    2012-01-01

    In the scanning transmission electron microscope, multiple signals can be simultaneously collected, including the transmitted and scattered electron signals (bright field and annular dark field or Z-contrast images), along with spectroscopic signals such as inelastically scattered electrons and emitted photons. In the last few years, the successful development of aberration correctors for the electron microscope has transformed the field of electron microscopy, opening up new possibilities for correlating structure to functionality. Aberration correction not only allows for enhanced structural resolution with incident probes into the sub-angstrom range, but can also provide greater probe currents to facilitate mapping of intrinsically weak spectroscopic signals at the nanoscale or even the atomic level. In this issue of MRS Bulletin, we illustrate the power of the new generation of electron microscopes with a combination of imaging and spectroscopy. We show the mapping of elemental distributions at atomic resolution and also the mapping of electronic and optical properties at unprecedented spatial resolution, with applications ranging from graphene to plasmonic nanostructures, and oxide interfaces to biology.

  15. Determination of the asymptotic normalization coefficients for 14C + n <--> 15C, the 14C(n, gamma)15C reaction rate, and evaluation of a new method to determine spectroscopic factors

    SciTech Connect

    McCleskey, M. [Texas A and M Univ., Cyclotron Inst., TX (United States); Mukhamedzhanov, A. M. [Texas A and M Univ., Cyclotron Inst., TX (United States); Trache, L. [Texas A and M Univ., Cyclotron Inst., TX (United States); Tribble, R. E. [Texas A and M Univ., Cyclotron Inst., TX (United States); Banu, A. [Texas A and M Univ., Cyclotron Inst., TX (United States); Eremenko, V. [Texas A and M Univ., Cyclotron Inst., TX (United States); Goldberg, V. Z. [Texas A and M Univ., Cyclotron Inst., TX (United States); Lui, Y. W. [Texas A and M Univ., Cyclotron Inst., TX (United States); McCleskey, E. [Texas A and M Univ., Cyclotron Inst., TX (United States); Roeder, B. T. [Texas A and M Univ., Cyclotron Inst., TX (United States); Spiridon, A. [Texas A and M Univ., Cyclotron Inst., TX (United States); Carstoiu, F. [National Inst. for Physics and Nuclear Engineering, Bucharest-Magurele (Romania); Burjan, V. [Nuclear Physics Inst., Czech Academy of Sciences, Prague (Czech Republic); Hons, Z. [Nuclear Physics Inst., Czech Academy of Sciences, Prague (Czech Republic); Thompson, I. J. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

    2014-04-17

    The 14C + n <--> 15C system has been used as a test case in the evaluation of a new method to determine spectroscopic factors that uses the asymptotic normalization coefficient (ANC). The method proved to be unsuccessful for this case. As part of this experimental program, the ANCs for the 15C ground state and first excited state were determined using a heavy-ion neutron transfer reaction as well as the inverse kinematics (d,p) reaction, measured at the Texas A&M Cyclotron Institute. The ANCs were used to evaluate the astrophysical direct neutron capture rate on 14C, which was then compared with the most recent direct measurement and found to be in good agreement. A study of the 15C SF via its mirror nucleus 15F and a new insight into deuteron stripping theory are also presented.

  16. Pseudo-triangles Some Examples

    E-print Network

    Servatius, Brigitte

    Pseudo-triangles Some Examples: Does planarity . . . Matroids on Graphs Matroid connectivity #12;Pseudo-triangles Some Examples: Does planarity . . . Matroids on Graphs Matroid connectivity ·Quit 1. Pseudo-triangles #12;Pseudo-triangles Some Examples: Does planarity . . . Matroids on Graphs

  17. Progress in spectroscopic plasma diagnostics and atomic data

    SciTech Connect

    von Hellermann, W.; Breger, P.; Core, W.G.; Gerstel, U.; Hawkes, N.C.; Howman, A.; Koenig, R.W.; Maggi, C.F.; Meigs, A.G.; Morgan, P.D.; Svensson, J.; Stamp, M.F. [JET Joint Undertaking, Abingdon, Oxon, OX14 3EA (United Kingdom); Summers, H.P. [University of Strathclyde, Glasgow (United Kingdom); Wolf, R.C.; Zastrow, K. [JET Joint Undertaking, Abingdon, Oxon, OX14 3EA (United Kingdom)

    1995-09-01

    The paper illustrates the role of quantitative spectroscopy for the diagnosis of fusion plasmas and the importance of extensive consistency checks. Four examples are given of recent spectroscopic observations which have triggered new approaches both to plasma modeling and atomic excitation processes. The examples highlight the role of passive charge exchange emission and its implication for plasma edge physics, non-thermal features in the HeII spectrum and temperature anisotropies observed in high power neutral beam heated plasmas, the importance of geometric mapping in an arbitrary magnetic configuration for the evaluation of line integrand spectra, and finally the complexity of atomic processes involved in the spectral analysis for helium transport studies. {copyright} {ital 1995 American Institute of Physics.}

  18. Mid-Infrared Spectroscopic Diagnostics of Galactic Nuclei

    E-print Network

    Vassilis Charmandaris; the Spitzer/IRS Instrument Team

    2006-07-13

    In this paper I summarize the science motivations, as well as a few mid-infrared spectroscopic methods used to identify the principal mechanisms of energy production in dust enshrouded galactic nuclei. The development of the various techniques is briefly discussed. Emphasis is given to the use of the data which are becoming available with the infrared spectrograph (IRS) on Spitzer, as well as the results which have been obtained by IRS over the past two years.

  19. Interactions of Isophorone Derivatives with DNA: Spectroscopic Studies

    PubMed Central

    Deiana, Marco; Matczyszyn, Katarzyna; Massin, Julien; Olesiak-Banska, Joanna; Andraud, Chantal; Samoc, Marek

    2015-01-01

    Interactions of three new isophorone derivatives, Isoa Isob and Isoc with salmon testes DNA have been investigated using UV-Vis, fluorescence and circular dichroism spectroscopic methods. All the studied compounds interact with DNA through intercalative binding mode. The stoichiometry of the isophorone/DNA adducts was found to be 1:1. The fluorescence quenching data revealed a binding interaction with the base pairs of DNA. The CD data indicate that all the investigated isophorones induce DNA modifications. PMID:26069963

  20. Transition moment directions and selected spectroscopic properties of Ivabradine

    NASA Astrophysics Data System (ADS)

    Synak, A.; Pikul, P.; Bojarski, P.; Nowakowska, J.; Wiczk, W.; ?ukaszewicz, A.; Kubicki, A. A.

    2013-01-01

    Based on the Kawski-Gryczynski method the value of angle ? = 38° between absorption and fluorescence transition moments of Ivabradine was determined. Such a high value of ? is responsible for low emission anisotropy of Ivabradine in a rigid polyvinyl alcohol matrix and in anhydrous glycerol despite the elongated shape of the fluorophore. Selected steady-state and time-resolved spectroscopic results support the analysis.

  1. VIRUS-MEMBRANE INTERACTIONS spectroscopic studies

    E-print Network

    Hemminga, Marcus A.

    #12;#12;VIRUS-MEMBRANE INTERACTIONS spectroscopic studies #12;Promotor: dr. T.J. Schaafsma VIRUS-MEMB NE INTERACTIONS spectroscopic studies PROEFSCHRIFT ter verkrijging van de graad van doctor. Dr. T.J. Schaafsma was mijn promotor. Het onderzoek is uitgevoerd binnen de "virusgroep", waarvan

  2. Spectroscopic Optical Coherence Tomography and Microscopy

    Microsoft Academic Search

    Amy L. Oldenburg; Chenyang Xu; Stephen A. Boppart

    2007-01-01

    Imaging biological tissues using optical coherence tomography is enhanced with spectroscopic analysis, providing new metrics for functional imaging. Recent advances in spectroscopic optical coherence tomography (SOCT) include techniques for the discrimination of endogenous tissue types and for the detection of exogenous contrast agents. In this paper, we review these techniques and their associated signal processing algorithms, while highlighting their potential

  3. The power of example

    NASA Astrophysics Data System (ADS)

    Liliana Gheorghian, Mariana

    2014-05-01

    The Secondary School "Teodor Balan" was evaluated by the National Agency for Quality Assurance with the highest score in an urban area of the county, and is part of the community Gura Humorului, a tourist resort of national interest since 2005. Starting with 2006 the local government implemented a Local Plan, which promotes the concept of sustainable development adopted at the Earth Summit in Rio de Janeiro, in 1992. Our school shares the concept of sustainable development and regularly re-evaluates the relationship between man and nature, advocates solidarity between generations, and has constantly developed various successful programs with the students, parents, teachers, and local companies and administration. Quarterly, we maintain and protect the river valley of Moldova arboretum nearby the reserve Oligocene "Stone Pine" and the natural reserve "Stone Hawk". Regarding the preservation of forests, teams of students and teachers from the school conduct activities of afforestation and greening, for the protection of birds. In order to raise public awareness about the harmful effects of radiation on the environment, my work degree in Physics, sustained in 2007, had as theme: Ionizing radiation and radiation protection. The effects of climate change and increasing temperature, as well as the extinction of species such as Amanita regalis and Tremiscus helvelloides mushrooms was studied by my biology colleague, Adriana. She obtained her Ist teaching degree in 2008, with the study "Diversity of macromycetes reported in natural ecosystems surrounding Gura Humorului". There were also organized 3 roundtables in a public awareness campaign initiated by the Ministry of Environment and Climate Change on "Integrated Nutrient Pollution Control", and the students learned to take test samples to determine water quality in wells and springs. In order to promote these activities performed by both teachers and students, we organized a National Symposium on "Life sciences at the beginning of the XXI century" with the participation of several schools in the country in 2009 and 2011. The papers presented were diverse and gave examples of various teaching experiences and scientific information. Topics by the teachers: The impact of tourism on the environment, Tornadoes, Natural science and environmental education in school, Air Pollution and health, Ecological education of children from primary school, The effects of electromagnetic radiation, Formation of an ecological mentality using chemistry, Why should we protect water, Environmental education, Education for the future, SOS Nature, Science in the twenty-first century, etc. Topics by students: Nature- the palace of thermal phenomena, Life depends on heat, Water Mysteries, Global Heating, The Mysterious universe, etc. In March 2013 our school hosted an interesting exchange of ideas on environmental issues between our students and those from Bulgaria, Poland and Turkey, during a symposium of the Comenius multilateral project "Conserving Nature". In order to present the results of protecting nature in their communities, two projects "Citizen" qualified in the Program Civitas in the autumn of 2013. "The Battle" continues both in nature and in classrooms, in order to preserve the environment.

  4. Gradient Moment Compensated Magnetic Resonance Spectroscopic Imaging

    PubMed Central

    Kim, Dong-Hyun; Gu, Meng; Spielman, Daniel M.

    2010-01-01

    Spectroscopic imaging applications outside of the brain can suffer from artifacts due to inherent long scan times and susceptibility to motion. A fast spectroscopic imaging sequence has been devised with reduced sensitivity to motion. The sequence uses oscillating readout gradients and acquires k-space data in a spiral out–in fashion, which allows fast k-space coverage. We show that a spiral out–in readout acquisition is characterized by small gradient moments, reducing sensitivity to motion-induced artifacts. Data are acquired comparing the sequence to normal phase encoded spectroscopic imaging and conventional spiral spectroscopic imaging protocols. In addition, in vivo data are acquired from the liver, demonstrating potential usage as a multivoxel fat/water spectroscopic imaging tool. Results indicate that in the presence of motion, ghosting effects are reduced while metabolite signal increases of approximately 10% can be achieved. PMID:19161164

  5. Domain Sensitive Chinese-English Example Based Machine Translation

    Microsoft Academic Search

    Muyun Yang; Hongfei Jiang; Tiejun Zhao; Sheng Li; Daxin Liu

    2008-01-01

    This paper proposes a method of domain sensitive example based machine translation system between Chinese and English. First, the example base is automatically extracted according to the relative position of word alignments, which is a language independent approach. Then, through combining the text-classification technique, the EBMT system manages to select the most appropriate example base for the input text. It

  6. Multifunction Imaging and Spectroscopic Instrument

    NASA Technical Reports Server (NTRS)

    Mouroulis, Pantazis

    2004-01-01

    A proposed optoelectronic instrument would perform several different spectroscopic and imaging functions that, heretofore, have been performed by separate instruments. The functions would be reflectance, fluorescence, and Raman spectroscopies; variable-color confocal imaging at two different resolutions; and wide-field color imaging. The instrument was conceived for use in examination of minerals on remote planets. It could also be used on Earth to characterize material specimens. The conceptual design of the instrument emphasizes compactness and economy, to be achieved largely through sharing of components among subsystems that perform different imaging and spectrometric functions. The input optics for the various functions would be mounted in a single optical head. With the exception of a targeting lens, the input optics would all be aimed at the same spot on a specimen, thereby both (1) eliminating the need to reposition the specimen to perform different imaging and/or spectroscopic observations and (2) ensuring that data from such observations can be correlated with respect to known positions on the specimen. The figure schematically depicts the principal components and subsystems of the instrument. The targeting lens would collect light into a multimode optical fiber, which would guide the light through a fiber-selection switch to a reflection/ fluorescence spectrometer. The switch would have four positions, enabling selection of spectrometer input from the targeting lens, from either of one or two multimode optical fibers coming from a reflectance/fluorescence- microspectrometer optical head, or from a dark calibration position (no fiber). The switch would be the only moving part within the instrument.

  7. Spectroscopic Applications in Gastrointestinal Endoscopy

    PubMed Central

    ROY, HEMANT K.; BACKMAN, VADIM

    2013-01-01

    One of the major frontiers in biomedical optics has been as an adjunct to gastrointestinal endoscopy. In particular, spectroscopy of elastic light scattering has the potential of addressing many of the vexing challenges confronting endoscopists. This review discusses the principles of spectroscopy and critically evaluates performance in clinically significant scenarios. One of the best established applications is optical biopsy (in situ histological determination), and a number of techniques such as elastic scattering spectroscopy have demonstrated the ability to discriminate between neoplastic and non-neoplastic polyps. For flat dysplasia detection in Barrett’s esophagus, some of the most promising spectroscopic technologies are angle-resolved low-coherence interferometry and endoscopic polarized scanning spectroscopy (the next generation light scattering spectroscopy). A new and exciting biological approach involves optical detection of field carcinogenesis. This can be exploited to reduce colonoscopic adenoma miss rate by assessing microcirculatory augmentation in the mucosa in the vicinity of the polyp using polarization-gatedspectroscopy. Furthermore, there are nano/micro-architectural correlates with diffuse field carcinogenesis throughout the colon. Indeed, technologies such as low coherence enhanced backscattering spectroscopy and partial wave spectroscopic microscopy have demonstrated that the detection of the nano-architectural alterations in the rectal mucosa can accurately sense advanced adenomas elsewhere in the colon. This may lend itself to a minimally intrusive risk stratification to identify patients who are most likely to harbor neoplasia and thus benefit from colonoscopy. Bridging these advances into the endoscopy suite requires pragmatic future development. Future studies need to focus on efficacy, cost, practicality (time required, etc), and particularly developing the paradigms that will impact upon clinical decision making. PMID:23059052

  8. 8.10 Signal Processing Examples of LS We'll briefly look at two examples from the book...

    E-print Network

    Fowler, Mark

    1 8.10 Signal Processing Examples of LS We'll briefly look at two examples from the book... Book highlight the flexibility of the LS viewpoint!!! Then (in separate note files) we'll look in detail at two emitter location examples not in the book #12;2 Ex. 8.11 Filter Design by Prony's LS Method The problem

  9. Practical example of the mosaic indicators approach

    Microsoft Academic Search

    J. Hoffmann; J. M. Greef; J. Kiesel; G. Lutze; K. O. Wenkel

    2003-01-01

    The theoretical concept for the use of mosaic indicators for species diversity in agricultural landscapes is illustrated on the basis of a practical example. A method to organise data on the specific regional natural conditions on the basis of an existing organisational chart of natural areas in Germany, digital results of biotope mapping and aerial views was developed for a

  10. MR spectroscopic imaging: principles and recent advances.

    PubMed

    Posse, Stefan; Otazo, Ricardo; Dager, Stephen R; Alger, Jeffry

    2013-06-01

    MR spectroscopic imaging (MRSI) has become a valuable tool for quantifying metabolic abnormalities in human brain, prostate, breast and other organs. It is used in routine clinical imaging, particularly for cancer assessment, and in clinical research applications. This article describes basic principles of commonly used MRSI data acquisition and analysis methods and their impact on clinical applications. It also highlights technical advances, such as parallel imaging and newer high-speed MRSI approaches that are becoming viable alternatives to conventional MRSI methods. Although the main focus is on (1) H-MRSI, the principles described are applicable to other MR-compatible nuclei. This review of the state-of-the-art in MRSI methodology provides a framework for critically assessing the clinical utility of MRSI and for defining future technical development that is expected to lead to increased clinical use of MRSI. Future technical development will likely focus on ultra-high field MRI scanners, novel hyperpolarized contrast agents using metabolically active compounds, and ultra-fast MRSI techniques because these technologies offer unprecedented sensitivity and specificity for probing tissue metabolic status and dynamics. PMID:23188775

  11. Determination of depleted uranium in environmental samples by gamma-spectroscopic techniques

    Microsoft Academic Search

    D. J Karangelos; M. J Anagnostakis; E. P Hinis; S. E Simopoulos; Z. S Zunic

    2004-01-01

    The military use of depleted uranium initiated the need for an efficient and reliable method to detect and quantify DU contamination in environmental samples. This paper presents such a method, based on the gamma spectroscopic determination of 238U and 235U. The main advantage of this method is that it allows for a direct determination of the U isotope ratio, while

  12. Application of digital image processing method for measuring maps graphical density on the example of city maps. (Polish Title: Zastosowanie metody cyfrowego przetwarzania obrazów do wyznaczania g?sto?ci graficznej opracowa? kartograficznych na przyk?adzie planów miast)

    NASA Astrophysics Data System (ADS)

    Cio?kosz-Styk, A.

    2013-12-01

    During the centuries the main problem on mapping was to obtain the sufficient and reliable source data; presently, an appropriate selection of the desired information from the deluge of available data is a problem. An availability of large amount of data induces to transfer the possibly rich information by means of map. It often results in overloading the cartographic documents, that is why they become less communicative and difficult to read. This situation is well illustrated by the example of city maps which are the most commonly used and thus the most frequently published cartographic products. Many user groups with different needs as well as preparation to read maps use these high volume publications. Therefore, the maps communication effectiveness problem is of particular importance. The city maps are the most complex cartographic presentations, because the presented areas are the places with the greatest concentration of different kinds of objects and forms of human activity arising from the civilization development. Conveying these specific features on the city maps leads to the problem of selecting the most relevant elements of content in terms of user's needs, since presenting all objects and their characteristics is impossible if the city map readability is to be kept. Although complexity has been the cartographers' object of interest for many years, because it exerts an impact on readability and effectiveness of cartographic documents, none of the measures used so far may be applied for automatic determination of complexity of such graphically complicated objects as city maps. Therefore a novel approach was needed for these applications. For that purpose digital image processing techniques have been proposed and successfully applied by the authors. The analysis of the spatial distribution of the objects' edges on the map surface, calculated using continuous wavelet transform, is the basis of the proposed measure. The method allows for comparison of complexity of city maps loaded by different type of graphical elements (point signatures, lines, text, etc.). Extended analyses of selected cartographic materials proved the usability of the method for quantitative estimation of city map complexity via formal index.

  13. 2. Introduction and Three Elementary Examples 35. Three Intermediate Examples

    E-print Network

    Borwein, Jonathan

    Examples 68. Current Research and Conclusions Meetings with Computer Algebra and Special Functions, 1777-1855) · I display roughly a dozen examples where computational experimentation, computer algebra, numeric and graphic computation. It makes frequent use of the new NIST Handbook of Mathematical Functions

  14. Introduction & Scope Examples of Granular Behavior

    E-print Network

    Kuhn, Matthew R.

    Introduction & Scope Examples of Granular Behavior Origins and Scaling of Behavior Summary Discrete;Introduction & Scope Examples of Granular Behavior Origins and Scaling of Behavior Summary Outline 1 Introduction & Scope 2 Examples of Granular Behavior Softening examples Instability examples Localization

  15. Teaching and Learning by Example

    Microsoft Academic Search

    Helen L. Chick

    The mathematical problems, tasks, demonstrations, and exercises that teachers and students engage with in classrooms are, in general, specific instantiations of general principles. Indeed, the usual purpose of such examples is to illustrate those principles and thus facilitate their learning. With this in mind, it is clearly important for teachers to be able to choose or design suitable examples, to

  16. Examples of Freshman Design Education

    Microsoft Academic Search

    SHERI SHEPPARD

    1997-01-01

    This paper looks at specific examples of how engineering programs around the United States are revising freshman year curricula to include engineering design. It builds on a companion paper [1] which provides a framework for viewing, interpreting and categorizing the various approaches to exposing freshman-level students to key design qualities. Example courses are grouped according to this framework, and similarities

  17. MR Spectroscopy and Spectroscopic Imaging of the Brain

    PubMed Central

    Zhu, He; Barker, Peter B.

    2012-01-01

    Magnetic resonance spectroscopy (MRS) and the related technique of magnetic resonance spectroscopic imaging (MRSI) are widely used in both clinical and preclinical research for the non-invasive evaluation of brain metabolism. They are also used in medical practice, although their ultimate clinical value continues to be a source of discussion. This chapter reviews the general information content of brain spectra and commonly used protocols for both MRS and MRSI and also touches on data analysis methods and quantitation. The main focus is on proton MRS for application in humans, but many of the methods are also applicable to other nuclei and studies of animal models as well. PMID:21279603

  18. Spectroscopic investigation of metal-RNA interactions 

    E-print Network

    Vogt, Matthew John

    2005-02-17

    Metal-RNA interactions are important to neutralize the negative charge and aid in correctly folding the RNA. Spectroscopically active metal ions, especially Mn2+, have been used to probe the type of interaction the metal ...

  19. Interaction of salmon gonadotropin subunits : spectroscopic studies

    E-print Network

    Paris-Sud XI, Université de

    Interaction of salmon gonadotropin subunits : spectroscopic studies R. SALESSE, J. GARNIER, B en Josas, France Summary. Pituitary gonadotropins of female and male pacific salmon Oncorhynchus) and in salmon (Donaldson et al., 1972), although physicochemical, biological or immunological evidence for two

  20. Self-correction of proton spectroscopic images for gradient eddy current distortions and static field inhomogeneities.

    PubMed

    Johnson, G; Jung, K J; Wu, E X; Hilal, S K

    1993-08-01

    A postprocessing method of correcting for gradient eddy current distortions and inter-voxel static field inhomogeneity in spectroscopic imaging is presented. Data is acquired normally and all spatial processing is performed. The FID in each voxel is then digitally filtered to extract the signal from a single reference line. Phase multiplying the original FID by the phase of this reference signal corrects for gradient eddy currents and static field offsets. Computer simulations show that the method is robust with respect to noise, filter bandwidth and the presence of small lines close to the reference line. The method is demonstrated on proton spectroscopic images of phantoms. PMID:8366808

  1. Spectroscopic charge pumping investigation of the amphoteric nature of Si/SiO2 interface states

    NASA Astrophysics Data System (ADS)

    Ryan, J. T.; Yu, L. C.; Han, J. H.; Kopanski, J. J.; Cheung, K. P.; Zhang, F.; Wang, C.; Campbell, J. P.; Suehle, J. S.

    2011-06-01

    The amphoteric nature of Si/SiO2 interface states in submicron sized metal-oxide-silicon-field-effect-transistors is observed using an enhanced spectroscopic charge pumping method. The method's simplicity and high sensitivity makes it a powerful tool for interrogating the true nature of electrically measured interface states in samples which exhibit extremely low defect densities. The spectroscopic results obtained clearly illustrate a signature "double peak" density of states consistent with amphoteric Pb center data obtained from electron spin resonance measurements. Since the method is a hybrid of the commonly used charge pumping methodology, it should find widespread use in electronic device characterization.

  2. Vibrational spectroscopic characterization of fluoroquinolones

    NASA Astrophysics Data System (ADS)

    Neugebauer, U.; Szeghalmi, A.; Schmitt, M.; Kiefer, W.; Popp, J.; Holzgrabe, U.

    2005-05-01

    Quinolones are important gyrase inhibitors. Even though they are used as active agents in many antibiotics, the detailed mechanism of action on a molecular level is so far not known. It is of greatest interest to shed light on this drug-target interaction to provide useful information in the fight against growing resistances and obtain new insights for the development of new powerful drugs. To reach this goal, on a first step it is essential to understand the structural characteristics of the drugs and the effects that are caused by the environment in detail. In this work we report on Raman spectroscopical investigations of a variety of gyrase inhibitors (nalidixic acid, oxolinic acid, cinoxacin, flumequine, norfloxacin, ciprofloxacin, lomefloxacin, ofloxacin, enoxacin, sarafloxacin and moxifloxacin) by means of micro-Raman spectroscopy excited with various excitation wavelengths, both in the off-resonance region (532, 633, 830 and 1064 nm) and in the resonance region (resonance Raman spectroscopy at 244, 257 and 275 nm). Furthermore DFT calculations were performed to assign the vibrational modes, as well as for an identification of intramolecular hydrogen bonding motifs. The effect of small changes in the drug environment was studied by adding successively small amounts of water until physiological low concentrations of the drugs in aqueous solution were obtained. At these low concentrations resonance Raman spectroscopy proved to be a useful and sensitive technique. Supplementary information was obtained from IR and UV/vis spectroscopy.

  3. Vibrational spectroscopic characterization of fluoroquinolones.

    PubMed

    Neugebauer, U; Szeghalmi, A; Schmitt, M; Kiefer, W; Popp, J; Holzgrabe, U

    2005-05-01

    Quinolones are important gyrase inhibitors. Even though they are used as active agents in many antibiotics, the detailed mechanism of action on a molecular level is so far not known. It is of greatest interest to shed light on this drug-target interaction to provide useful information in the fight against growing resistances and obtain new insights for the development of new powerful drugs. To reach this goal, on a first step it is essential to understand the structural characteristics of the drugs and the effects that are caused by the environment in detail. In this work we report on Raman spectroscopical investigations of a variety of gyrase inhibitors (nalidixic acid, oxolinic acid, cinoxacin, flumequine, norfloxacin, ciprofloxacin, lomefloxacin, ofloxacin, enoxacin, sarafloxacin and moxifloxacin) by means of micro-Raman spectroscopy excited with various excitation wavelengths, both in the off-resonance region (532, 633, 830 and 1064 nm) and in the resonance region (resonance Raman spectroscopy at 244, 257 and 275 nm). Furthermore DFT calculations were performed to assign the vibrational modes, as well as for an identification of intramolecular hydrogen bonding motifs. The effect of small changes in the drug environment was studied by adding successively small amounts of water until physiological low concentrations of the drugs in aqueous solution were obtained. At these low concentrations resonance Raman spectroscopy proved to be a useful and sensitive technique. Supplementary information was obtained from IR and UV/vis spectroscopy. PMID:15820884

  4. Improved Reconstruction for MR Spectroscopic Imaging

    PubMed Central

    Maudsley, Andrew A.

    2009-01-01

    Sensitivity limitations of in vivo magnetic resonance spectroscopic imaging (MRSI) require that the extent of spatial-frequency (k-space) sampling be limited, thereby reducing spatial resolution and increasing the effects of Gibbs ringing that is associated with the use of Fourier transform reconstruction. Additional problems occur in the spectral dimension, where quantitation of individual spectral components is made more difficult by the typically low signal-to-noise ratios, variable lineshapes, and baseline distortions, particularly in areas of significant magnetic field inhomogeneity. Given the potential of in vivo MRSI measurements for a number of clinical and biomedical research applications, there is considerable interest in improving the quality of the metabolite image reconstructions. In this report, a reconstruction method is described that makes use of parametric modeling and MRI-derived tissue distribution functions to enhance the MRSI spatial reconstruction. Additional preprocessing steps are also proposed to avoid difficulties associated with image regions containing spectra of inadequate quality, which are commonly present in the in vivo MRSI data. PMID:17518063

  5. IMPROVED SPECTROSCOPIC PARAMETERS FOR TRANSITING PLANET HOSTS

    SciTech Connect

    Torres, Guillermo; Holman, Matthew J.; Carter, Joshua A. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Fischer, Debra A. [Department of Astronomy, Yale University, New Haven, CT 06511 (United States); Sozzetti, Alessandro [INAF-Osservatorio Astronomico di Torino, I-10025 Pino Torinese (Italy); Buchhave, Lars A. [Niels Bohr Institute, Copenhagen University, DK-2100 Copenhagen (Denmark); Winn, Joshua N., E-mail: gtorres@cfa.harvard.edu [Department of Physics, and Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2012-10-01

    We report homogeneous spectroscopic determinations of the effective temperature, metallicity, and projected rotational velocity for the host stars of 56 transiting planets. Our analysis is based primarily on the stellar parameter classification (SPC) technique. We investigate systematic errors by examining subsets of the data with two other methods that have often been used in previous studies (Spectroscopy Made Easy (SME) and MOOG). The SPC and SME results, both based on comparisons between synthetic spectra and actual spectra, show strong correlations between T{sub eff}, [Fe/H], and log g when solving for all three quantities simultaneously. In contrast the MOOG results, based on a more traditional curve-of-growth approach, show no such correlations. To combat the correlations and improve the accuracy of the temperatures and metallicities, we repeat the SPC analysis with a constraint on log g based on the mean stellar density that can be derived from the analysis of the transit light curves. Previous studies that have not taken advantage of this constraint have been subject to systematic errors in the stellar masses and radii of up to 20% and 10%, respectively, which can be larger than other observational uncertainties, and which also cause systematic errors in the planetary mass and radius.

  6. Spectroscopic Needs for Calibration of LSST Photometric Redshifts

    E-print Network

    Schmidt, Samuel J; Abate, Alexandra

    2014-01-01

    This white paper summarizes the conclusions of the Snowmass White Paper "Spectroscopic Needs for Imaging Dark Energy Experiments" (arXiv:1309.5384) which are relevant to the calibration of LSST photometric redshifts; i.e., the accurate characterization of biases and uncertainties in photo-z's. Any significant miscalibration will lead to systematic errors in photo-z's, impacting nearly all extragalactic science with LSST. As existing deep redshift samples have failed to yield highly-secure redshifts for a systematic 20%-60% of their targets, it is a strong possibility that future deep spectroscopic samples will not solve the calibration problem on their own. The best options in this scenario are provided by cross-correlation methods that utilize clustering with objects from spectroscopic surveys (which need not be fully representative) to trace the redshift distribution of the full sample. For spectroscopy, the eBOSS survey would enable a basic calibration of LSST photometric redshifts, while the expected LSST...

  7. Single-particle spectroscopic factors for spherical nuclei

    NASA Astrophysics Data System (ADS)

    Gnezdilov, N. V.; Saperstein, E. E.; Tolokonnikov, S. V.

    2015-01-01

    Within the self-consistent theory of finite Fermi systems, the total single-particle spectroscopic factors for seven doubly magic nuclei of 40Ca, 48Ca, 56Ni, 78Ni, 100Sn, 132Sn, and 208Pb and for the 188-212Pb chain of semimagic even lead isotopes are calculated by the energy-density-functional method implemented with a functional in the form proposed by Fayans and his coauthors. The spectroscopic factor is expressed in terms of the Z factor, which is the residue of the single-particle Green's function at the single-particle pole. The total Z factor calculated in the present study involves both effects of coupling to phonons and the volume Z factor, which is due to the fact that the mass operator features an energy dependence not associated with surface phonons. The volume Z factor is on the same order of magnitude as the phonon-coupling contribution. The volume effect depends only slightly on the nuclear species and on the single-particle state ?. On the contrary, the phonon contribution to the total spectroscopic factor changes upon going over from one state to another and from one nuclear species to another.

  8. Evaluation of Her2 status using photoacoustic spectroscopic CT techniques

    NASA Astrophysics Data System (ADS)

    Shaffer, Michael; Kruger, Robert; Reinecke, Daniel; Chin-Sinex, Helen; Mendonca, Marc; Stantz, Keith M.

    2010-02-01

    Purpose: The purpose of this study is to determine the feasibility of using photacoustic CT spectroscopy(PCT-s) to track a near infrared dye conjugated with trastuzumab in vivo. Materials and Methods: An animal model was developed which contained both high and low Her2 expression tumor xenografts on the same mouse. The tumors were imaged at multiple wavelengths (680- 950nm) in the PCT scanner one day prior to injection of the near infrared conjugated probe. Baseline optical imaging data was acquired and the probe was then injected via the tail vein. Fluorescence data was acquired over the next week, PCT spectroscopic data was also acquired during this timeframe. The mice were sacrificed and tumors were extirpated and sent to pathology for IHC staining to verify Her2 expression levels. The optical fluorescence images were analyzed to determine probe uptake dynamics. Reconstructed PCT spectroscopic data was analyzed using IDL routines to deconvolve the probe signal from endogenous background signals, and to determine oxygen saturation. Results: The location of the NIR conjugate was able to be identified within the tumor utilizing IDL fitting routines, in addition oxygen saturation, and hemoglobin concentrations were discernible from the spectroscopic data. Conclusion: Photacoustic spectroscopy allows for the determination of in vivo tumor drug delivery at greater depths than can be determined from optical imaging techniques.

  9. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods

    NASA Astrophysics Data System (ADS)

    Isac Paulraj, E.; Muthu, S.

    2013-05-01

    This work presents the characterization of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (abbreviated as HEHMPT) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated by FT-IR, FT-Raman and UV-Vis techniques. The FT-IR spectrum (4000-400 cm-1) and FT-Raman spectrum (4000-100 cm-1) in solid phase was recorded for HEHMPT. The UV-Vis absorption spectrum of the HEHMPT that dissolved in water was recorded in the range of 100-400 nm. The structural and spectroscopic data of the molecule were obtained from B3LYP and M06-2X with 6-31G(d,p) basis set calculations. The theoretical wavenumbers were scaled and compared with experimental FT-IR and FT-Raman spectra. The complete assignments were performed on the basis of the normal co-ordinate analysis (NCA), experimental results and potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method, interpreted in terms of fundamental modes. The stable geometry of the compound has been determined from the potential energy surface scan. The stability of molecule has been analyzed by NBO analysis. The molecule orbital contributions were studied by using the total (TDOS), partial (PDOS), and overlap population (OPDOS) density of states. The electronic properties like UV spectral analysis and HOMO-LUMO energies were reported. The calculated HOMO and LUMO energies shows that charge transfer interactions taking place within the molecule. Mulliken population analysis on atomic charges is also calculated.

  10. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.

    PubMed

    Isac Paulraj, E; Muthu, S

    2013-05-01

    This work presents the characterization of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (abbreviated as HEHMPT) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated by FT-IR, FT-Raman and UV-Vis techniques. The FT-IR spectrum (4000-400 cm(-1)) and FT-Raman spectrum (4000-100 cm(-1)) in solid phase was recorded for HEHMPT. The UV-Vis absorption spectrum of the HEHMPT that dissolved in water was recorded in the range of 100-400 nm. The structural and spectroscopic data of the molecule were obtained from B3LYP and M06-2X with 6-31G(d,p) basis set calculations. The theoretical wavenumbers were scaled and compared with experimental FT-IR and FT-Raman spectra. The complete assignments were performed on the basis of the normal co-ordinate analysis (NCA), experimental results and potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method, interpreted in terms of fundamental modes. The stable geometry of the compound has been determined from the potential energy surface scan. The stability of molecule has been analyzed by NBO analysis. The molecule orbital contributions were studied by using the total (TDOS), partial (PDOS), and overlap population (OPDOS) density of states. The electronic properties like UV spectral analysis and HOMO-LUMO energies were reported. The calculated HOMO and LUMO energies shows that charge transfer interactions taking place within the molecule. Mulliken population analysis on atomic charges is also calculated. PMID:23454843

  11. QUANTIFYING THE BIASES OF SPECTROSCOPICALLY SELECTED GRAVITATIONAL LENSES

    SciTech Connect

    Arneson, Ryan A.; Brownstein, Joel R.; Bolton, Adam S., E-mail: arnesonr@uci.edu, E-mail: joelbrownstein@astro.utah.edu, E-mail: bolton@astro.utah.edu [Department of Physics and Astronomy, University of Utah, Salt Lake City, UT 84112 (United States)

    2012-07-01

    Spectroscopic selection has been the most productive technique for the selection of galaxy-scale strong gravitational lens systems with known redshifts. Statistically significant samples of strong lenses provide a powerful method for measuring the mass-density parameters of the lensing population, but results can only be generalized to the parent population if the lensing selection biases are sufficiently understood. We perform controlled Monte Carlo simulations of spectroscopic lens surveys in order to quantify the bias of lenses relative to parent galaxies in velocity dispersion, mass axis ratio, and mass-density profile. For parameters typical of the SLACS and BELLS surveys, we find (1) no significant mass axis ratio detection bias of lenses relative to parent galaxies; (2) a very small detection bias toward shallow mass-density profiles, which is likely negligible compared to other sources of uncertainty in this parameter; (3) a detection bias toward smaller Einstein radius for systems drawn from parent populations with group- and cluster-scale lensing masses; and (4) a lens-modeling bias toward larger velocity dispersions for systems drawn from parent samples with sub-arcsecond mean Einstein radii. This last finding indicates that the incorporation of velocity-dispersion upper limits of non-lenses is an important ingredient for unbiased analyses of spectroscopically selected lens samples. In general, we find that the completeness of spectroscopic lens surveys in the plane of Einstein radius and mass-density profile power-law index is quite uniform, up to a sharp drop in the region of large Einstein radius and steep mass-density profile, and hence that such surveys are ideally suited to the study of massive field galaxies.

  12. Interfacing Microfluidic Handling with Spectroscopic Detection for Real-Life Applications via the Lab-on-Valve Platform: A Review

    Microsoft Academic Search

    Elo Harald Hansen; Manuel Miro

    2008-01-01

    One of the current needs within the analytical spectrometric community is the development of straightforward and cost?effective, yet rugged, sample processing procedures aimed at precluding both spectroscopic and nonspectroscopic matrix interferences while fostering concomitant sample enrichment. Illustrated via selected representative examples, this review presents and discusses the current state of the art in implementing miniaturised and automated sample treatments for

  13. Correlated Knowledge Gradients: Example alternatives

    E-print Network

    Keinan, Alon

    Correlated Knowledge Gradients: Example -4 -2 0 2 4 alternatives value 0 10 20 30 -10 -8 -6 -4 -2 0;Correlated Knowledge Gradients: Example -4 -2 0 2 4 alternatives value 0 10 20 30 -10 -8 -6 -4 -2 0 num measurements log(KGfactor) 0 10 20 30 0 0.5 1 1.5 2 num measurements opportunitycost #12;Correlated Knowledge

  14. Applications of Linear Systems Theory to Spectroscopic Instrumentation and Multivariate Analysis

    Microsoft Academic Search

    Chris L. Erickson

    1993-01-01

    This research employs linear systems theory to design novel spectroscopic instruments, explain their operation, and provide insight into methods of data analysis. The first study examines the relationship between digital filtering, a technique based on linear systems theory, and multivariate regression, a statistical method. The study focuses on quantitative property estimation for one -sided, repetitive, linear, shift-invariant systems, and compares

  15. Physical principles of polarization-spectroscopic measurement of electric and magnetic fields in ionized gases

    Microsoft Academic Search

    V. P. Gavrilenko

    1992-01-01

    Spectroscopic methods of measuring the parameters of a plasma play a key role in the problem of monitoring the physical processes occuring in a plasma medium. These methods are widely employed for plasma diagnostics in laboratory apparatus (used to solve problems in the area of controlled thermonuclear synthesis, plasma electronics, and plasma technology), and also to investigate plasma in astrophysical

  16. Please cite this article in press as: Chamberlain, K.R., et al., In situ UPb SIMS (IN-SIMS) micro-baddeleyite dating of mafic rocks: Method with examples. Precambrian Res. (2010), doi:10.1016/j.precamres.2010.05.004

    E-print Network

    2010-01-01

    -baddeleyite dating of mafic rocks: Method with examples. Precambrian Res. (2010), doi:10.1016/j.precamres.2010.05.004 ARTICLE IN PRESS GModel PRECAM-3230; No.of Pages9 Precambrian Research xxx (2010) xxx­xxx Contents lists available at ScienceDirect Precambrian Research journal homepage: www.elsevier.com/locate/precamres In situ

  17. Application of optical spectroscopic techniques for disease diagnosis

    NASA Astrophysics Data System (ADS)

    Saha, Anushree

    Optical spectroscopy, a truly non-invasive tool for remote diagnostics, is capable of providing valuable information on the structure and function of molecules. However, most spectroscopic techniques suffer from drawbacks, which limit their application. As a part of my dissertation work, I have developed theoretical and experimental methods to address the above mentioned issues. I have successfully applied these methods for monitoring the physical, chemical and biochemical parameters of biomolecules involved in some specific life threatening diseases like lead poisoning and age-related macular degeneration (AMD). I presented optical studies of melanosomes, which are one of the vital organelles in the human eye, also known to be responsible for a disease called age-related macular degeneration (AMD), a condition of advanced degeneration which causes progressive blindness. I used Raman spectroscopy, to first chemically identify the composition of melanosome, and then monitor the changes in its functional and chemical behavior due to long term exposure to visible light. The above study, apart from explaining the role of melanosomes in AMD, also sets the threshold power for lasers used in surgeries and other clinical applications. In the second part of my dissertation, a battery of spectroscopic techniques was successfully applied to explore the different binding sites of lead ions with the most abundant carrier protein molecule in our circulatory system, human serum albumin. I applied optical spectroscopic tools for ultrasensitive detection of heavy metal ions in solution which can also be used for lead detection at a very early stage of lead poisoning. Apart from this, I used Raman microspectroscopy to study the chemical alteration occurring inside a prostate cancer cell as a result of a treatment with a low concentrated aqueous extract of a prospective drug, Nerium Oleander. The experimental methods used in this study has tremendous potential for clinical application and will gain widespread acceptance within next few years from bench to bedside as an inexpensive and non-invasive tool compared to the other technologies.

  18. Spectroscopic Feedback for High Density Data Storage and Micromachining

    DOEpatents

    Carr, Christopher W. (Livermore, CA); Demos, Stavros (Livermore, CA); Feit, Michael D. (Livermore, CA); Rubenchik, Alexander M. (Livermore, CA)

    2008-09-16

    Optical breakdown by predetermined laser pulses in transparent dielectrics produces an ionized region of dense plasma confined within the bulk of the material. Such an ionized region is responsible for broadband radiation that accompanies a desired breakdown process. Spectroscopic monitoring of the accompanying light in real-time is utilized to ascertain the morphology of the radiated interaction volume. Such a method and apparatus as presented herein, provides commercial realization of rapid prototyping of optoelectronic devices, optical three-dimensional data storage devices, and waveguide writing.

  19. Spectroscopic characterization of femtosecond laser filament in argon gas

    SciTech Connect

    Liu, W.; Bernhardt, J.; Theberge, F.; Chin, S. L.; Chateauneuf, M.; Dubois, J. [Institute of Modern Optics, Nankai University, Key Laboratory of Opto-electronic Information Science and Technology, Education Ministry of China, Tianjin 300071 (China); Centre d'Optique, Photonique et Laser (COPL) and Departement de physique, de genie physique et d'optique, Universite Laval, Quebec, Quebec G1K 7P4 (Canada); Defence Research and Development Canada--Valcartier, 2459 Pie-XI Blvd. North, Quebec, Quebec, G3J 1X5 Canada (Canada)

    2007-08-01

    We report a spectroscopic approach to measure the plasma density and electron temperature inside a filament created by an intense femtosecond laser pulse in atmospheric pressure argon gas. The technique relies on the proportionality between the Stark broadened argon fluorescence line width due to electron impact and the plasma density, while the electron temperature is determined from the well known Boltzmann plot. The obtained maximum plasma density is about 5.5x10{sup 16} cm{sup -3}, and the electron temperature is about 5800 K. Our method provides a promising and convenient way to characterize the filament for further understanding the fundamental physics and potential applications of filamentation.

  20. Spectroscopic and dynamical studies of highly energized small polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Stimulated emission pumping (SEP) spectroscopy was used on acetylene and on formyl radical. An attempt was made for pattern recognition based on statistics; a method was invented that combined CNPI (complete nuclear permutation-inversion) group theory and SCC (spectral cross-correlation). But the direction away from statistical pattern recognition back to traditional spectroscopic pattern recognition was taken. Vibrational states and quantum numbers are discussed. For the formyl radical, the fluorescence excitation spectrum was recorded and a rotational analysis of the 0(sup 0)(sub 0) band performed.

  1. On the lambda Bootis spectroscopic binary hypothesis

    E-print Network

    Stuetz, C; Stuetz, Christian; Paunzen, Ernst

    2006-01-01

    It is still a matter of debate if the group of lambda Bootis stars is homogeneously defined. A widely discussed working hypothesis formulates that two apparent solar abundant stars of an undetected spectroscopic binary system mimic a single metal-weak spectrum preventing any reliable analysis of the group characteristics. Is the proposed spectroscopic binary model able to explain the observed abundance pattern and photometric metallicity indices for the group members? What is the percentage of undetected spectroscopic binary systems? We have used the newest available stellar atmospheres to synthesize 105 hypothetical binary systems in the relevant astrophysical parameter range. These models were used to derive photometric indices. As a test, values for single stellar atmospheres, Vega and two typical lambda Bootis stars, HD 107233 and HD 204041, were generated. The synthesized indices fit the standard lines and the observations of the three stars excellently. For about 90% of the group members, the spectrosco...

  2. Optical Spectroscopic Monitoring of Parachute Yarn Aging

    SciTech Connect

    Tallant, D.R.; Garcia, M.J.; Simpson, R.L.; Behr, V.L.; Whinery, L.D.; Peng, L.W.

    1999-04-01

    Optical spectroscopic techniques were evaluated as nondestructive monitors of the aging of parachutes in nuclear weapons. We analyzed thermally aged samples of nylon and Kevlar webbing by photoluminescence spectroscopy and reflection spectroscopy. Infrared analysis was also performed to help understand the degradation mechanisms of the polymer materials in the webbing. The photoluminescence and reflection spectra were analyzed by chemometric data treatment techniques to see if aged-induced changes in the spectra correlated to changes in measured tensile strength. A correlation was found between the shapes of the photoluminescent bands and the measured tensile strengths. Photoluminescent spectra can be used to predict the tensile strengths of nylon and Kevlar webbing with sufficient accuracy to categorize the webbing sample as above rated tensile strength, marginal or below rated tensile strength. The instrumentation required to perform the optical spectroscopic measurement can be made rugged, compact and portable. Thus, optical spectroscopic techniques offer a means for nondestructive field monitoring of parachutes in the enduring stockpile/

  3. Calculation of multicomponent chemical equilibria in gas-solid- liquid systems: calculation methods, thermochemical data, and applications to studies of high-temperature volcanic gases with examples from Mount St. Helens

    USGS Publications Warehouse

    Symonds, R.B.; Reed, M.H.

    1993-01-01

    This paper documents the numerical formulations, thermochemical data base, and possible applications of computer programs, SOLVGAS and GASWORKS, for calculating multicomponent chemical equilibria in gas-solid-liquid systems. SOLVGAS and GASWORKS compute simultaneous equilibria by solving simultaneously a set of mass balance and mass action equations written for all gas species and for all gas-solid or gas-liquid equilibria. Examples of gas-evaporation-from-magma and precipitation-with-cooling calculations for volcanic gases collected from Mount St. Helens are shown. -from Authors

  4. Plasma spectroscopic diagnostic tool using collisional-radiative models and its application to different plasma discharges for electron temperature and neutral density determination

    Microsoft Academic Search

    Ella Marion Sciamma

    2007-01-01

    A spectroscopic diagnostic tool has been developed to determine the electron temperature and the neutral density in helium, hydrogen and argon plasmas from absolutely calibrated spectroscopic measurements. For each gas, a method of analysis which uses models specific to each species present in the plasma (neutral atom or singly ionized atom) has been defined. The experimental electron density is used

  5. Example Procedures for Developing Acceptance-Range Criteria for BESTEST-EX

    SciTech Connect

    Judkoff, R.; Polly, B.; Bianchi, M.; Neymark, J.

    2010-08-01

    This document provides an example procedure for establishing acceptance-range criteria to assess results from software undergoing BESTEST-EX. This example method for BESTEST-EX is a modified version of the method described in HERS BESTEST.

  6. Galaxy Luminosity Functions from Deep Spectroscopic Samples of Rich Clusters

    E-print Network

    Daniel Christlein; Ann Zabludoff

    2003-04-01

    Using a new spectroscopic sample and methods accounting for spectroscopic sampling fractions that vary in magnitude and surface brightness, we present R-band galaxy luminosity functions (GLFs) for six nearby galaxy clusters with redshifts 4000 < cz < 20000 km/s and velocity dispersions 700 < sigma < 1250 km/s. In the case of the nearest cluster, Abell 1060, our sample extends to M_R=-14 (7 magnitudes below M*), making this the deepest spectroscopic determination of the cluster GLF to date. Our methods also yield composite GLFs for cluster and field galaxies to M_R=-17 (M*+4), including the GLFs of subsamples of star forming and quiescent galaxies. The composite GLFs are consistent with Schechter functions (M*_R=-21.14^{+0.17}_{-0.17}, alpha=-1.21^{+0.08}_{-0.07} for the clusters, M*_R=-21.15^{+0.16}_{-0.16}, alpha=-1.28^{+0.12}_{-0.11} for the field). All six cluster samples are individually consistent with the composite GLF down to their respective absolute magnitude limits, but the GLF of the quiescent population in clusters is not universal. There are also significant variations in the GLF of quiescent galaxies between the field and clusters that can be described as a steepening of the faint end slope. The overall GLF in clusters is consistent with that of field galaxies, except for the most luminous tip, which is enhanced in clusters versus the field. The star formation properties of giant galaxies are more strongly correlated with the environment than those of fainter galaxies.

  7. Scanning tunneling microscopy detection of spin polarized resonant surface bands: The example of Fe(001)

    Microsoft Academic Search

    Athanasios N. Chantis; Darryl L. Smith; J. Fransson; A. V. Balatsky

    2009-01-01

    We study theoretically the effect of a spin polarized resonant surface band on the conductance of scanning tunneling spectroscope with a spin polarized tip (SP-STM). Using the example of the Fe(001) surface, we show that a minority-spin surface state can induce a bias dependence of the tunneling differential conductance which depends strongly on the orientation of the magnetization in the

  8. Astrochemistry Examples in the Classroom

    ERIC Educational Resources Information Center

    Hudson, Reggie L.

    2006-01-01

    Astronomy and astronomy-related topics have sufficient appeal and depth that they can be used to motivate students, illustrate important chemical concepts, and demonstrate that chemistry and chemists are concerned with all parts of nature. In this article some recent developments in astrochemistry are suggested as examples for the teaching of…

  9. Statistics by Example, Detecting Patterns.

    ERIC Educational Resources Information Center

    Mosteller, Frederick; And Others

    This booklet is part of a series of four pamphlets, each intended to stand alone, which provide problems in probability and statistics at the secondary school level. Twelve different real-life examples (written by professional statisticians and experienced teachers) have been collected in this booklet to illustrate the ideas of mean, variation,…

  10. Learning Algebra from Worked Examples

    ERIC Educational Resources Information Center

    Lange, Karin E.; Booth, Julie L.; Newton, Kristie J.

    2014-01-01

    For students to be successful in algebra, they must have a truly conceptual understanding of key algebraic features as well as the procedural skills to complete a problem. One strategy to correct students' misconceptions combines the use of worked example problems in the classroom with student self-explanation. "Self-explanation" is…

  11. Guidance Program Evaluation: An Example.

    ERIC Educational Resources Information Center

    Bruckner, Sandra T.; Thompson, Charles L.

    1987-01-01

    Presents research completed on developmental group guidance meetings. Presents an example of how counselors can document and evaluate the positive reactions their students have to well-organized, weekly group sessions. Provides direction for changes in the group guidance program. (ABB)

  12. Introduction Examples of ARTS use

    E-print Network

    ) Scattering -> 3D geometry, polarization Limb Sounding -> spherical geometry Davis, Buehler, Eriksson, EmdeIntroduction ARTS-MC Using ARTS Examples of ARTS use Scattering RT in a 3D spherical atmosphere Motivation Atmospheric Radiative Transfer System - ARTS ARTS Scattering Modules 2 ARTS-MC Algorithm

  13. Leading by example in intergroup competition: An experimental approach

    Microsoft Academic Search

    Johannes Weisser

    2012-01-01

    We investigate leading by example in a public goods game in scenarios with and without intergroup competition. Leading by example is implemented via a sequential decision protocol. We examine both one-shot and repeated interaction and make use of the strategy method to characterize followers' conditional responses to the leader's contribution. The results show that only follower but not leader behavior

  14. Example-based composite sketching of human portraits

    Microsoft Academic Search

    Hong Chen; Ziqiang Liu; Chuck Rose; Yingqing Xu; Heung-Yeung Shum; David Salesin

    2004-01-01

    Creating a portrait in the style of a particular artistic tradition or a particular artist is a difficult problem. Elusive to codify algorithmically, the nebulous qualities which combine to form artwork are often well captured using example-based approaches. These methods place the artist in the process, often during system training, in the hope that their talents may be tapped.Example based

  15. Translation: an example from ancient Chinese to modern Chinese

    Microsoft Academic Search

    X. Liu; C. Hoede

    2002-01-01

    In this paper, we gave an idea of translation by means of knowledge graph theory from ancient Chinese to modern Chinese, by using an example story. Actually, we give the details of the method of translation from ancient Chinese to modern Chinese step by step as carried out by hand. From the example, we found that knowledge graphs have a

  16. Toward an Instructionally Oriented Theory of Example-Based Learning

    ERIC Educational Resources Information Center

    Renkl, Alexander

    2014-01-01

    Learning from examples is a very effective means of initial cognitive skill acquisition. There is an enormous body of research on the specifics of this learning method. This article presents an instructionally oriented theory of example-based learning that integrates theoretical assumptions and findings from three research areas: learning from…

  17. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, (13)C, (1)H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods.

    PubMed

    Bhavani, K; Renuga, S; Muthu, S; Sankara Narayanan, K

    2014-10-15

    In this work, colorless crystals of 2-acetoxybenzoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-500cm(-1) and 4000-100cm(-1) respectively. Molecular structure is optimized with the help of density functional theory method (B3LYP) with 6-31+G(d,p), 6-311++G(d,p) basis sets. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the ?(?) antibonding orbitals and E(2) energies confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement with observed spectra. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule. PMID:25456668

  18. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods

    NASA Astrophysics Data System (ADS)

    Bhavani, K.; Renuga, S.; Muthu, S.; Sankara narayanan, K.

    2015-02-01

    In this work, colorless crystals of 2-acetoxybenzoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-500 cm-1 and 4000-100 cm-1 respectively. Molecular structure is optimized with the help of density functional theory method (B3LYP) with 6-31+G(d,p), 6-311++G(d,p) basis sets. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the ?? antibonding orbitals and E(2) energies confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement with observed spectra. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by GIAO method. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

  19. Spectroscopic Survey of ? SCT Stars

    NASA Astrophysics Data System (ADS)

    Solano, E.; Pintado, O. I.

    1998-06-01

    The methods used to derive effective temperatures, projected rotational velocities and surface gravities of a sample of low and high-amplitude ? Sct stars are presented here. Effective temperatures were derived using H? and H? line profiles whereas rotational velocities were calculated following the method described in Solano & Fernley (1997). Surface gravities were obtained using Hipparcos parallaxes and evolutionary models (Claret 1995). The results of this analysis will be published in a subsequent paper (Solano & Pintado 1999).

  20. Spectroscopic sugar sensing by a stilbene derivative with push (Me 2N-)pull ((HO) 2B)-type substituents

    Microsoft Academic Search

    Hideyuki Shinmori; Masayuki Takeuchi; Seiji Shinkai

    1995-01-01

    A stilbene derivative (2) with a push (Me2N-) and a pull ((HO)2B-) substituent at 4,4?-positions was synthesized. 2 aggregated in aqueous solution (water:DMSO = 30:1 v\\/v) but was dispersed nearly homogeneously in water:DMSO = 1:1 v\\/v. Spectroscopic studies established that 2 is useful to detect saccharides by both absorption and fluorescence spectroscopic methods. Particularly, in aqueous solution at pH 8.0

  1. Characterization by spectroscopic Ellipsometry, the physical properties of silver nanoparticles.

    NASA Astrophysics Data System (ADS)

    Coanga, Jean-Maurice

    2013-04-01

    Physicists are able to change their minds through their experiments. I think it is time to go kick the curse and go further in research if we want a human future. I work in the Nano-Optics and Plasmonics research. I defined with ellipsomètrie the structure of new type of Nano particles of silver. It's same be act quickly to replace the old dirty leaded electronic-connexion chip and by the other hand to find a new way for the heath care of cancer disease by nanoparticles the next killers of bad cells. Silver nanoparticle layers are obtained by Spark Plasma Sintering are investigated as an alternative to lead alloy based material for solder joint in power mechatronics modules. These layers are characterized by mean of conventional techniques that is the dilatometry technique, the resistivity measurement through the van der Pauw method, and the flash laser technique. Furthermore, the nanoparticles of silver layer are deeply studied by UV-Visible spectroscopic ellipsometry. Spectroscopic angles parameters are determined in function of temperature and dielectric constants are deduced and analyzed through an optical model which takes into account a Drude and a Lorentz component within the Bruggeman effective medium approximation (EMA). The relaxation times and the electrical conductivity are plot in function of temperature. The obtained electrical conductivity give significant result in good agreement to those reported by four points electrical measurement method.

  2. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.

    PubMed

    Chandra, S; Saleem, H; Sebastian, S; Sundaraganesan, N

    2011-05-01

    In this work, we report a combined experimental and theoretical study on molecular structure (monomer, dimer), vibrational spectra, and Natural Bond Orbital (NBO) analysis of non-ionized L-cysteine (LCY). The FT-IR solid phase (4000-400 cm(-1)) and FT-Raman spectra (3500-50 cm(-1)) of LCY was recorded at room temperature. The molecular geometry, harmonic and anharmonic vibrational frequencies and bonding features of LCY in the ground state have been calculated by using the density functional method (B3LYP) with 6-311G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field (SQMFF) methodology. The first order hyperpolarizability (?(0)) of this novel molecular system and related properties (?, ?(0) and ??) of LCY are calculated using HF/6-311G(d,p) method on the finite-field approach. Stability of the molecule has been analyzed using NBO analysis. The calculated first hyperpolarizability shows that the molecule is an attractive molecule for future applications in non-linear optics. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the calculations results were applied to stimulate infrared and Raman spectra of the title compound which show good agreement with observed spectra. PMID:21377921

  3. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method

    NASA Astrophysics Data System (ADS)

    Chandra, S.; Saleem, H.; Sebastian, S.; Sundaraganesan, N.

    2011-05-01

    In this work, we report a combined experimental and theoretical study on molecular structure (monomer, dimer), vibrational spectra, and Natural Bond Orbital (NBO) analysis of non-ionized L-cysteine (LCY). The FT-IR solid phase (4000-400 cm -1) and FT-Raman spectra (3500-50 cm -1) of LCY was recorded at room temperature. The molecular geometry, harmonic and anharmonic vibrational frequencies and bonding features of LCY in the ground state have been calculated by using the density functional method (B3LYP) with 6-311G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field (SQMFF) methodology. The first order hyperpolarizability ( ?0) of this novel molecular system and related properties ( ?, ?0 and ? ?) of LCY are calculated using HF/6-311G(d,p) method on the finite-field approach. Stability of the molecule has been analyzed using NBO analysis. The calculated first hyperpolarizability shows that the molecule is an attractive molecule for future applications in non-linear optics. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the calculations results were applied to stimulate infrared and Raman spectra of the title compound which show good agreement with observed spectra.

  4. On the lambda Bootis spectroscopic binary hypothesis

    E-print Network

    Christian Stuetz; Ernst Paunzen

    2006-09-05

    It is still a matter of debate if the group of lambda Bootis stars is homogeneously defined. A widely discussed working hypothesis formulates that two apparent solar abundant stars of an undetected spectroscopic binary system mimic a single metal-weak spectrum preventing any reliable analysis of the group characteristics. Is the proposed spectroscopic binary model able to explain the observed abundance pattern and photometric metallicity indices for the group members? What is the percentage of undetected spectroscopic binary systems? We have used the newest available stellar atmospheres to synthesize 105 hypothetical binary systems in the relevant astrophysical parameter range. These models were used to derive photometric indices. As a test, values for single stellar atmospheres, Vega and two typical lambda Bootis stars, HD 107233 and HD 204041, were generated. The synthesized indices fit the standard lines and the observations of the three stars excellently. For about 90% of the group members, the spectroscopic inary hypothesis can not explain the observations. A carefully preselection of lambda Bootis stars results in a homogeneous group of objects which can be used to investigate the group characteristics.

  5. The Electromagnetic Spectrum: Cereal Box Analytical Spectroscope

    NSDL National Science Digital Library

    In this activity, students construct an analytical spectroscope and analyze the spectrum produced when various substances are heated or excited with electricity. This activity is part of Unit 2 in the Space Based Astronomy guide that contains background information, worksheets, assessments, extensions, and standards.

  6. New spectroscopic results in Kr VIII.

    PubMed

    Gallardo, M; Bredice, F; Raineri, M; Almandos, J R; Pettersson, S G; Trigueiros, A G

    1989-12-01

    New Kr VIII spectroscopic results between 280 and 2000 A using a theta-pinch and a discharge tube are presented, including one new energy level and two new classified lines. The previous analysis was also revised, and the uncertainty in the resulting level values is now <10 cm(-1). PMID:20556004

  7. Spectroscopic study in Z-pinch discharge

    SciTech Connect

    Garamoon, A.A.; Saudy, A.H.; Shark, W. [Al-Azhar Univ., Cairo (Egypt)] [and others

    1995-12-31

    The temporal variation of the emitted line intensity has been investigated, and thus an important information about the dynamic ionization stages in the Z-pinch discharge has been studied. Also the electron temperature Te, has been deduced by using a spectroscopic technique.

  8. Site-Directed Spectroscopic Probes of Actomyosin

    E-print Network

    Thomas, David D.

    Site-Directed Spectroscopic Probes of Actomyosin Structural Dynamics David D. Thomas, David Kast, and Vicci L. Korman Department of Biochemistry, Molecular Biology, and Biophysics, University of Minnesota.040405.102118 Copyright c 2009 by Annual Reviews. All rights reserved 1936-122X/09/0609-0347$20.00 Key Words EPR, spin

  9. Vacuum arc anode plasma. I. Spectroscopic investigation

    Microsoft Academic Search

    F. M. Bacon

    1975-01-01

    A spectroscopic investigation was made of the anode plasma of a pulsed vacuum arc with an aluminum anode and a molybdenum cathode. The arc was triggered by a third trigger electrode and was driven by a 150-A 10-mus current pulse. The average current density at the anode was sufficiently high that anode spots were formed; these spots are believed to

  10. Spectroscopic carbon dioxide sensor for automotive applications

    Microsoft Academic Search

    Michael Arndt; Maximilian Sauer

    2004-01-01

    In this paper, we present the first spectroscopic carbon dioxide sensor designed for automotive applications. The sensor is based on the well known infrared measurement principle. It includes a new robust infrared gas-detector and a corresponding, newly developed, ASIC. First application studies show its suitability for automatic vehicle ventilation systems and for leak detection in R744 air conditioning systems.

  11. Planar chromatography coupled with spectroscopic techniques

    Microsoft Academic Search

    G. W Somsen; W Morden; I. D Wilson

    1995-01-01

    Recent progress in the combination of planar, or thin-layer chromatography (TLC) with a variety of modern spectroscopic techniques is reviewed. The utility of TLC for separation followed by mass spectrometry, with a variety of ionisation techniques, is illustrated with reference to a wide range of compound types including drugs, natural products, industrial chemicals, pesticides and dyes. Applications of the use

  12. Spectroscopic analysis of the superluminous HD327083

    NASA Astrophysics Data System (ADS)

    Machado, M. A. D.; de Araujo, F. X.

    2003-08-01

    New optical high-resolution (R»50 000) spectra of the star HD 327083 are reported in this work. The Balmer and Fe ii lines show P Cygni profiles, while He i lines are all in pure absorption, ressembling the spectra of the Luminous Blue Variable HR Carinae. However, the blue absorption components of the Balmer lines are more pronounced in HD 327083 than in HR Carinae, indicating a more intense mass loss. We performed a spectroscopic analysis of the Balmer lines (Ha, Hb, Hg and Hd) with a non-LTE code to analyse extended atmospheres. The basic assumptions are: spherical symmetry, stationary and homogeneity. The density structure r(r) is related to the mass loss rate and the velocity field via the equation of continuity. The velocity field is pre-specified in an ad-hoc way as a b-type law. The statistical equilibrium equations are solved using the escape probability method for calculating the source function while the transfer equation is solved using the "SEI" - Sobolev Exact Integration - method. Due the large number of "free" parameters we constructed a primary grid of models (theoretical profiles) based on the results provided by theoretical evolutionary paths. In other words, the input parameters L«, T«, and AHe are those provided as output data of the evolutive models. We chose the tracks of the Geneve group since they are available in the WEB in the range of initial masses from Mi = 25 M¤ to 120 M¤. The derived stellar parameters for HD 327083 are: log(L«/L¤) = 6.0, T« = 11500 K, = 8.0´10-5 M¤/yr and He/H = 0.2 (by number). From these results and considering the similarity with HR Carinae we concluded that HD 327083 is a superluminous object in an evolved phase of an evolutive track of MZAMS~ 60 M¤. It might be a B[e] Supergiant but it is most likely to be about to enter in a typical LBV phase.

  13. Monetizing Trade: A Tatonnement Example

    Microsoft Academic Search

    Ross M. Starr

    1998-01-01

    This paper presents a class of examples where a barter economy develops through agents' optimizing decisions into a monetary economy. A barter economy with m commodities is characterized by m(m-1)\\/2 commodity pair trading posts for active trade of each good for every other. Monetary equilibrium is characterized by active trade concentrated on m-1 posts, those trading in 'money' versus the

  14. 2D-1D Wavelet Reconstruction as a Tool for Source Finding in Spectroscopic Imaging Surveys

    NASA Astrophysics Data System (ADS)

    Flöer, L.; Winkel, B.

    2012-01-01

    Today, image denoising by thresholding of wavelet coefficients is a commonly used tool for 2D image enhancement. Since the data product of spectroscopic imaging surveys has two spatial dimensions and one spectral dimension, the techniques for denoising have to be adapted to this change in dimensionality. In this paper we will review the basic method of denoising data by thresholding wavelet coefficients and implement a 2D-1D wavelet decomposition to obtain an efficient way of denoising spectroscopic data cubes. We conduct different simulations to evaluate the usefulness of the algorithm as part of a source finding pipeline.

  15. 2D-1D Wavelet Reconstruction As A Tool For Source Finding In Spectroscopic Imaging Surveys

    E-print Network

    Flöer, Lars

    2011-01-01

    Today, image denoising by thresholding of wavelet coefficients is a commonly used tool for 2D image enhancement. Since the data product of spectroscopic imaging surveys has two spatial and one spectral dimension, the techniques for denoising have to be adapted to this change in dimensionality. In this paper we will review the basic method of denoising data by thresholding wavelet coefficients and implement a 2D-1D wavelet decomposition to obtain an efficient way of denoising spectroscopic data cubes. We conduct different simulations to evaluate the usefulness of the algorithm as part of a source finding pipeline.

  16. Variability in the determination of total atmospheric ozone using remote sensing spectroscopic techniques

    Microsoft Academic Search

    G. G. Sivjee; G. J. Romick; W. B. Murcray

    1978-01-01

    A spectroscopic method for optical remote sensing of total ozone (O3) is described. It involves detailed spectral matching of near ultraviolet solar observations with synthetic profiles containing various amounts of ozone absorption. Application of this technique is made to airborne solar measurements in the 3100 to 3600 Å wavelength region. In the 3100 to 3200 Å region, measurements made above

  17. Stability of UV exposed RR-P3BT films by spectroscopic ellipsometry

    SciTech Connect

    Diware, Mangesh S.; Byun, J. S.; Hwang, S. Y.; Kim, T. J.; Kim, Y. D. [Nano-Optical Property Laboratory and Department of Physics, Kyung Hee University, Seoul 130-701 (Korea, Republic of)

    2013-02-05

    Stability of regioregular poly(3-butylthiophene) (RR-P3BT) films under irradiation of ultra-violet (UV) light has been studied by spectroscopic ellipsometry at room temperature. Consistent decrease in dielectric function with UV exposure time showed the degree of degradation of polymer. This work suggests that, protective methods are mandatory to use this kind of material in optical devices.

  18. Chemical and spectroscopic analysis of organic matter transformations during composting of pig manure

    Microsoft Academic Search

    Jenn-Hung Hsu; Shang-Lien Lo

    1999-01-01

    Composting of separated pig manure (SPM) was studied in an attempt to elaborate upon organic matter (OM) transformation during the process and define parameters for product maturity using both chemical and spectroscopical methods. Composting was performed in two piles and the following parameters were measured in 10 samples during 122 days of composting: temperature, ash content, C\\/N ratio, water-soluble organic

  19. Comprehensive processing, display and analysis for in vivo MR spectroscopic imaging

    E-print Network

    Hall, Lawrence O.

    Comprehensive processing, display and analysis for in vivo MR spectroscopic imaging A. A. Maudsley and spectral data processing methods and benefits from the use of several sources of prior information processing and analysis can involve multiple processing steps and several different data types. In this paper

  20. Spectroscopic studies of lanthanide (Ce, Eu) chlorides in ethane-1,2-diol

    Microsoft Academic Search

    Barbara Keller; Janina Legendziewicz; Jan Przybylski; Ma?gorzata Guzik; Jacek Gli?ski

    2002-01-01

    This paper is a consequence of our earlier studies on the structure of solutions of anhydrous and hydrated lanthanide chlorides in different types of alcohols. Such investigations are important mainly in understanding the spectroscopic behavior of silica gels and glasses obtained by alcohol methods and codoped with Ce3+ and other lanthanide ions. Our work focuses on the spectroscopy of Ce(III)

  1. Determination of pore size distribution and surface area of thin porous silicon layers by spectroscopic ellipsometry

    Microsoft Academic Search

    C. Wongmanerod; S. Zangooie; H. Arwin

    2001-01-01

    A non-destructive method for investigation of pore size distribution and surface area of porous silicon is presented. Adsorption and desorption isotherms of water in thin films of porous silicon are analyzed using variable angle of incidence spectroscopic ellipsometry. The analysis is based on multilayer optical models and the Bruggeman effective medium approximation. Pore size distribution and surface area are extracted

  2. Determination of refractive index of printed and unprinted paper using spectroscopic ellipsometry

    Microsoft Academic Search

    J. W. P. Bakker; G. Bryntse; H. Arwin

    2004-01-01

    An attempt is made to address the basic physical properties of printed and unprinted paper surfaces by using spectroscopic ellipsometry in the range 300–900 nm to determine the effective complex-valued refractive index ?N?. Some simulations to address the effect of structural properties have also been done and a qualitative comparison with some other methods, in particular Brewster angle measurements, has

  3. Dynamics of dielectric barrier discharge in non-uniform gas composition investigated by laser spectroscopic measurements

    Microsoft Academic Search

    Keiichiro Urabe; Yosuke Ito; Joon-Young Choi; Osamu Sakai; Kunihide Tachibana

    2009-01-01

    It is well known that stable and glow dielectric barrier discharge (DBD) at atmospheric pressure is observed using helium gas and AC high voltage of kHz-order frequency. We have investigated the discharge mechanisms of DBDs from a view point of the spatiotemporal distributions of excited species measured by laser spectroscopic methods. In this presentation, we will show convincing arguments about

  4. TOPICAL REVIEW: Understanding the fundamental principles of metal oxide based gas sensors; the example of CO sensing with SnO2 sensors in the presence of humidity

    NASA Astrophysics Data System (ADS)

    Bârsan, N.; Weimar, U.

    2003-05-01

    This paper investigates the effect of water vapour in CO sensing by using Pd doped SnO2 sensors realized in thick film technology as an example of the basic understanding of sensing mechanisms applied to sensors. The results of phenomenological and spectroscopic measurement techniques, all of them obtained under working conditions for sensors, were combined with modelling in order to derive conclusions able to be generalized to the field of metal oxide based gas sensors. The techniques employed were: dc conductance, ac impedance spectroscopy, work function (by using the Kelvin probe method), catalytic conversion and diffuse reflectance infrared Fourier transform measurements. The most important conclusion is that the different parts of the sensor (sensing layer, electrodes, substrate) are all influencing the gas detection and their role has to be taken into consideration when one attempts to understand how a sensor works.

  5. Homogeneous spectroscopic parameters for bright planet host stars from the northern hemisphere

    E-print Network

    Sousa, S G; Mortier, A; Tsantaki, M; Adibekyan, V; Mena, E Delgado; Israelian, G; Rojas-Ayala, B; Neves, V

    2015-01-01

    Aims. In this work we derive new precise and homogeneous parameters for 37 stars with planets. For this purpose, we analyze high resolution spectra obtained by the NARVAL spectrograph for a sample composed of bright planet host stars in the northern hemisphere. The new parameters are included in the SWEET-Cat online catalogue. Methods. To ensure that the catalogue is homogeneous, we use our standard spectroscopic analysis procedure, ARES+MOOG, to derive effective temperatures, surface gravities, and metallicities. These spectroscopic stellar parameters are then used as input to compute the stellar mass and radius, which are fundamental for the derivation of the planetary mass and radius. Results. We show that the spectroscopic parameters, masses, and radii are generally in good agreement with the values available in online databases of exoplanets. There are some exceptions, especially for the evolved stars. These are analyzed in detail focusing on the effect of the stellar mass on the derived planetary mass. ...

  6. Magnetic Resonance Image Example Based Contrast Synthesis

    PubMed Central

    Roy, Snehashis; Carass, Aaron; Prince, Jerry L.

    2013-01-01

    The performance of image analysis algorithms applied to magnetic resonance images is strongly influenced by the pulse sequences used to acquire the images. Algorithms are typically optimized for a targeted tissue contrast obtained from a particular implementation of a pulse sequence on a specific scanner. There are many practical situations, including multi-institution trials, rapid emergency scans, and scientific use of historical data, where the images are not acquired according to an optimal protocol or the desired tissue contrast is entirely missing. This paper introduces an image restoration technique that recovers images with both the desired tissue contrast and a normalized intensity profile. This is done using patches in the acquired images and an atlas containing patches of the acquired and desired tissue contrasts. The method is an example-based approach relying on sparse reconstruction from image patches. Its performance in demonstrated using several examples, including image intensity normalization, missing tissue contrast recovery, automatic segmentation, and multimodal registration. These examples demonstrate potential practical uses and also illustrate limitations of our approach. PMID:24058022

  7. Truly random number generation: an example

    NASA Astrophysics Data System (ADS)

    Frauchiger, Daniela; Renner, Renato

    2013-10-01

    Randomness is crucial for a variety of applications, ranging from gambling to computer simulations, and from cryptography to statistics. However, many of the currently used methods for generating randomness do not meet the criteria that are necessary for these applications to work properly and safely. A common problem is that a sequence of numbers may look random but nevertheless not be truly random. In fact, the sequence may pass all standard statistical tests and yet be perfectly predictable. This renders it useless for many applications. For example, in cryptography, the predictability of a "andomly" chosen password is obviously undesirable. Here, we review a recently developed approach to generating true | and hence unpredictable | randomness.

  8. Practical algorithmic probability: an image inpainting example

    NASA Astrophysics Data System (ADS)

    Potapov, Alexey; Scherbakov, Oleg; Zhdanov, Innokentii

    2013-12-01

    Possibility of practical application of algorithmic probability is analyzed on an example of image inpainting problem that precisely corresponds to the prediction problem. Such consideration is fruitful both for the theory of universal prediction and practical image inpaiting methods. Efficient application of algorithmic probability implies that its computation is essentially optimized for some specific data representation. In this paper, we considered one image representation, namely spectral representation, for which an image inpainting algorithm is proposed based on the spectrum entropy criterion. This algorithm showed promising results in spite of very simple representation. The same approach can be used for introducing ALP-based criterion for more powerful image representations.

  9. Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2,4-bis(2-methoxyphenyl)-1-phenylanthracene-9,10-dione by ab initio HF and density functional methods.

    PubMed

    Joseph, Tomy; Varghese, Hema Tresa; Panicker, C Yohannan; Thiemann, Thies; Viswanathan, K; Van Alsenoy, Christian; Manojkumar, T K

    2014-01-01

    Anthraquinone derivatives are most important class of a system that absorb in the visible region. In this work, the vibrational spectral analysis was carried out using FT-IR and FT-Raman spectroscopy for 2,4-bis(2-methoxyphenyl)-1-phenylanthracene-9,10-dione. Theoretical calculations were performed by ab initio HF and DFT methods using 6-31G(*) basis set. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The calculated geometrical parameters (DFT) are in agreement with that of similar derivatives. The calculated first hyperpolarizability of the title compound is 4.69×10(-30) esu, which is 36.08 times that of urea and the title compound and the series of compounds it represents are attractive candidates for further studies in non linear optical applications. PMID:24012980

  10. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method

    NASA Astrophysics Data System (ADS)

    Subramanian, N.; Sundaraganesan, N.; Jayabharathi, J.

    2010-07-01

    Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine [vanillin azine (VA)] were carried out by using density functional (DFT/B3LYP) method with 6-31G(d) as basis set. The optimized geometrical parameters obtained by DFT calculations are in good agreement with single crystal XRD data. The vibrational spectral data obtained from solid phase FT-IR and FT-Raman spectra are assigned based on the results of the theoretical calculations. The observed spectra are found to be in good agreement with calculated values. The electric dipole moment ( ?) and the first hyperpolarizability ( ?) values of the investigated molecule have been computed using ab initio quantum mechanical calculations. The calculation results also show that the VA molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. A detailed interpretation of the infrared and Raman spectra of VA was also reported. The energy and oscillator strength calculated by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The theoretical NMR chemical shifts complement with experimentally measured ones.

  11. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.

    PubMed

    Chaitanya, K

    2012-02-01

    The FT-IR (4000-450 cm(-1)) and FT-Raman spectra (3500-100 cm(-1)) of benzophenone 2,4-dicarboxylic acid (2,4-BDA) have been recorded in the condensed state. Density functional theory calculation with B3LYP/6-31G(d,p) basis set have been used to determine ground state molecular geometries (bond lengths and bond angles), harmonic vibrational frequencies, infrared intensities, Raman activities and bonding features of the title compounds. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. The first order hyperpolarizability (?0) and related properties (?, ?0 and ??) of 2,4-BDA is calculated using HF/6-31G(d,p) method on the finite-field approach. The stability of molecule has been analyzed by using NBO analysis. The calculated first hyperpolarizability shows that the molecule is an attractive molecule for future applications in non-linear optics. The calculated HOMO and LUMO energies show that charge transfer occurs within these molecules. Mulliken population analysis on atomic charges is also calculated. Because of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated. Finally, the UV-vis spectra and electronic absorption properties were explained and illustrated from the frontier molecular orbitals. PMID:22137747

  12. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method

    NASA Astrophysics Data System (ADS)

    Chaitanya, K.

    2012-02-01

    The FT-IR (4000-450 cm -1) and FT-Raman spectra (3500-100 cm -1) of benzophenone 2,4-dicarboxylic acid (2,4-BDA) have been recorded in the condensed state. Density functional theory calculation with B3LYP/6-31G(d,p) basis set have been used to determine ground state molecular geometries (bond lengths and bond angles), harmonic vibrational frequencies, infrared intensities, Raman activities and bonding features of the title compounds. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. The first order hyperpolarizability ( ?0) and related properties ( ?, ?0 and ? ?) of 2,4-BDA is calculated using HF/6-31G(d,p) method on the finite-field approach. The stability of molecule has been analyzed by using NBO analysis. The calculated first hyperpolarizability shows that the molecule is an attractive molecule for future applications in non-linear optics. The calculated HOMO and LUMO energies show that charge transfer occurs within these molecules. Mulliken population analysis on atomic charges is also calculated. Because of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated. Finally, the UV-vis spectra and electronic absorption properties were explained and illustrated from the frontier molecular orbitals.

  13. Statistical problem Ordered processes: definition, properties, examples

    E-print Network

    Golubev, Yuri

    Statistical problem Ordered processes: definition, properties, examples Linear models and spectral Oracle inequalities #12;Statistical problem Ordered processes: definition, properties, examples Linear Statistical problem 2 Ordered processes: definition, properties, examples 3 Linear models and spectral

  14. Introduction and biological background Definitions and examples

    E-print Network

    Lonardi, Stefano

    Outline Introduction and biological background Definitions and examples Computing the reversal and biological background 2 Definitions and examples Signed permutations and reversal distance Elementary without hurdles and fortresses #12;Outline Introduction and biological background Definitions and examples

  15. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods

    NASA Astrophysics Data System (ADS)

    Saravanan, S.; Balachandran, V.

    2014-09-01

    This study represents an integral approach towards understanding the electronic and structural aspects of 3-tert-butyl-4-methoxyphenol (TBMP). Fourier-transform Infrared (FT-IR) and Fourier-transform Raman (FT-Raman) spectra of TBMP was recorded in the region 4000-400 cm-1 and 3500-100 cm-1, respectively. The molecular structures, vibrational wavenumbers, infrared intensities and Raman activities were calculated using DFT (B3LYP and LSDA) methods using 6-311++G (d,p) basis set. The most stable conformer of TBMP was identified from the computational results. The assignments of vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. The first order hyperpolarizability (?0) and related properties (?, ?0 and ??) of TBMP have been discussed. The stability and charge delocalization of the molecule was studied by Natural Bond Orbital (NBO) analysis. UV-Visible spectrum and effects of solvents have been discussed and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach with B3LYP/6-311++G (d,p) level of theory. The molecule orbital contributions are studied by density of energy states (DOSs). The reactivity sites are identified by mapping the electron density into electrostatic potential surface (MEP). Mulliken analysis of atomic charges is also calculated. The thermodynamic properties at different temperatures were calculated, revealing the correlations between standard heat capacities, standard entropy and standard enthalpy changes with temperatures. Global hardness, global softness, global electrophilicity and ionization potential of the title compound are determined.

  16. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.

    PubMed

    Saravanan, S; Balachandran, V

    2014-09-15

    This study represents an integral approach towards understanding the electronic and structural aspects of 3-tert-butyl-4-methoxyphenol (TBMP). Fourier-transform Infrared (FT-IR) and Fourier-transform Raman (FT-Raman) spectra of TBMP was recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The molecular structures, vibrational wavenumbers, infrared intensities and Raman activities were calculated using DFT (B3LYP and LSDA) methods using 6-311++G (d,p) basis set. The most stable conformer of TBMP was identified from the computational results. The assignments of vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the scaled quantum mechanical force field (SQMFF) methodology. The first order hyperpolarizability (?0) and related properties (?, ?0 and ??) of TBMP have been discussed. The stability and charge delocalization of the molecule was studied by Natural Bond Orbital (NBO) analysis. UV-Visible spectrum and effects of solvents have been discussed and the electronic properties such as HOMO and LUMO energies were determined by time-dependent TD-DFT approach with B3LYP/6-311++G (d,p) level of theory. The molecule orbital contributions are studied by density of energy states (DOSs). The reactivity sites are identified by mapping the electron density into electrostatic potential surface (MEP). Mulliken analysis of atomic charges is also calculated. The thermodynamic properties at different temperatures were calculated, revealing the correlations between standard heat capacities, standard entropy and standard enthalpy changes with temperatures. Global hardness, global softness, global electrophilicity and ionization potential of the title compound are determined. PMID:24813291

  17. EXAMPLES OF RADIATION SHIELDING MODELS

    SciTech Connect

    Willison, J

    2006-07-27

    The attached pictures are examples of shielding models used by WSMS. The models were used in shielding evaluations for Tank 50 pump replacement. They show the relative location of shielding to radiation sources for pumps and pipes. None of the calculations that were associated with these models involved UCNI. The last page contains two pictures from a shielding calculation for the saltstone area. The upper picture is a conceptual drawing. The lower picture is an image copied from the website of a supplier for the project.

  18. Crystal structure characterization as well as theoretical study of spectroscopic properties of novel Schiff bases containing pyrazole group

    NASA Astrophysics Data System (ADS)

    Guo, Jia; Ren, Tiegang; Zhang, Jinglai; Li, Guihui; Li, Weijie; Yang, Lirong

    2012-09-01

    A series of novel Schiff bases containing pyrazole group were synthesized using 1-aryl-3-methyl-4-benzoyl-5-pyrazolone and phenylenediamine as the starting materials. All as-synthesized Schiff bases were characterized by means of NMR, FT-IR, and MS; and the molecular geometries of two Schiff bases as typical examples were determined by means of single crystal X-ray diffraction. In the meantime, the ultraviolet-visible light absorption spectra and fluorescent spectra of various as-synthesized products were also measured. Moreover, the B3LYP/6-1G(d,p) method was used for the optimization of the ground state geometry of the Schiff bases; and the spectroscopic properties of the products were computed and compared with corresponding experimental data based on cc-pVTZ basis set of TD-B3LYP method. It has been found that all as-synthesized Schiff bases show a remarkable absorption peak in a wavelength range of 270-370 nm; and their maximum emission peaks are around 344 nm and 332 nm, respectively.

  19. Detection of optical path in spectroscopic space-based observations of greenhouse gases: Application to GOSAT data processing

    NASA Astrophysics Data System (ADS)

    Oshchepkov, Sergey; Bril, Andrey; Maksyutov, Shamil; Yokota, Tatsuya

    2011-07-01

    We present a method to detect optical path modification due to atmospheric light scattering in space-based greenhouse gas spectroscopic sounding. This method, which was applied to the analysis of radiance spectra measured by the Greenhouse Gases Observing Satellite (GOSAT), is based on the path length probability density function (PPDF) and on retrieval of PPDF parameters from radiance spectra in the oxygen A-band of absorption at 0.76 ?m. We show that these parameters can be effectively used to characterize the impact of atmospheric light scattering on carbon dioxide retrieval in the atmospheric carbon dioxide (CO2) absorption bands at 1.6 ?m and 2.0 ?m. The threshold for PPDF parameters is set so that the optical-path modification is negligible, and these settings are recommended as a basic guideline for selecting the clearest atmospheric scenarios. An example of data processing for six global GOSAT repeat cycles in April and July 2009 shows that PPDF-based selection efficiently removes CO2 retrieval biases associated with subvisible cirrus and sandstorm activities.

  20. Research Methods and Methodologies for Multicultural and Cross-Cultural Issues in Art Education. Crossing Cultural, Artistic, and Cyber Borders: Issues and Examples in Art Education Conference (Tempe, Arizona, January 7-8, 2000).

    ERIC Educational Resources Information Center

    La Pierre, Sharon D., Ed; Stokrocki, Mary, Ed.; Zimmerman, Enid, Ed.

    This monograph is the outgrowth of a conference that explored research concerns related to multi-cultural and cross-cultural contexts in art education. In the monograph, presentations are organized into three sections. Section 1 deals with basic research methods and methodologies, and introduces new methodological perspectives for consideration.…

  1. Investigation on interaction of prulifloxacin with pepsin: A spectroscopic analysis

    NASA Astrophysics Data System (ADS)

    Huang, Yabei; Yan, Jie; Liu, Benzhi; Yu, Zhang; Gao, Xiaoyan; Tang, Yingcai; Zi, Yanqin

    2010-03-01

    The interaction between prulifloxacin, a kind of new oral taking antibiotic and pepsin, a kind of enzyme in the stomach has been investigated in vitro under a simulated physiological condition by different spectroscopic methods. The intrinsic fluorescence of pepsin was strongly quenched by prulifloxacin. This effect was rationalized in terms of a static quenching procedure. The binding parameters have been evaluated by fluorescence quenching methods. The negative value of ? G0 reveals that the binding process is a spontaneous process. The binding distance R between donor (pepsin) and acceptor (prulifloxacin) was obtained according to the Förster's resonance energy transfer theory and found to be 0.95 nm. The results obtained herein will be of biological significance in pharmacology and clinical medicine.

  2. Spectroscopic diagnostics of plasma during laser processing of aluminium

    NASA Astrophysics Data System (ADS)

    Lober, R.; Mazumder, J.

    2007-10-01

    The role of the plasma in laser-metal interaction is of considerable interest due to its influence in the energy transfer mechanism in industrial laser materials processing. A 10 kW CO2 laser was used to study its interaction with aluminium under an argon environment. The objective was to determine the absorption and refraction of the laser beam through the plasma during the processing of aluminium. Laser processing of aluminium is becoming an important topic for many industries, including the automobile industry. The spectroscopic relative line to continuum method was used to determine the electron temperature distribution within the plasma by investigating the 4158 Å Ar I line emission and the continuum adjacent to it. The plasmas are induced in 1.0 atm pure Ar environment over a translating Al target, using f/7 and 10 kW CO2 laser. Spectroscopic data indicated that the plasma composition and behaviour were Ar-dominated. Experimental results indicated the plasma core temperature to be 14 000-15 300 K over the incident range of laser powers investigated from 5 to 7 kW. It was found that 7.5-29% of the incident laser power was absorbed by the plasma. Cross-section analysis of the melt pools from the Al samples revealed the absence of any key-hole formation and confirmed that the energy transfer mechanism in the targets was conduction dominated for the reported range of experimental data.

  3. Spectroscopic studies of interactions involving horseradish peroxidase and Tb3+.

    PubMed

    Guo, Shaofen; Zhou, Qing; Lu, Tianhong; Ding, Xiaolan; Huang, Xiaohua

    2008-09-01

    The spectroscopic properties of interactions involving horseradish peroxidase (HRP) and Tb3+ in the simulated physiological solution was investigated with some electrochemical and spectroscopic methods, such as cyclic voltammetry (CV), circular dichroism (CD), X-ray photoelectron spectroscopy (XPS) and synchronous fluorescence (SF). It was found that Tb3+ can coordinate with oxygen atoms in carbonyl groups in the peptide chain of HRP, form the complex of Tb3+ and HRP (Tb-HRP), and then lead to the conformation change of HRP. The increase in the random coil content of HRP can disturb the microstructure of the heme active center of HRP, in which the planarity of the porphyrin cycle in the heme group is increased and then the exposure extent of the electrochemical active center is decreased. Thus Tb3+ can inhibit the electrochemical reaction of HRP and its electrocatalytic activity for the reduction of H2O2 at the Au/Cys/GC electrode. The changes in the microstructure of HRP obstructed the electron transfer of Fe(III) in the porphyrin cycle of the heme group, thus HRP catalytic activity is inhibited. The inhibition effect of Tb3+ on HRP catalytic activity is increased with the increasing of Tb3+ concentration. This study would provide some references for better understanding the rare earth elements and heavy metals on peroxidase toxicity in living organisms. PMID:18024195

  4. DFT computations and spectroscopic analysis of p-bromoacetanilide

    NASA Astrophysics Data System (ADS)

    Gnanasambandan, T.; Gunasekaran, S.; Seshadri, S.

    2014-03-01

    This work presents the characterization of p-bromoacetanilide (PBA) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated by FT-IR, FT-Raman and UV-Vis techniques. The structural and spectroscopic data of the molecule were obtained from B3LYP/6-311++ G(d,p) and MPW1PW91/6-311++G(d,p) basis set calculations. The theoretical wavenumbers were scaled and compared with experimental FT-IR and FT-Raman spectra. The complete assignments were performed on the basis of the normal co-ordinate analysis (NCA), experimental results and potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method, interpreted in terms of fundamental modes. The stability of molecule has been analyzed by NBO/NLMO analysis. The molecular orbital contributions were studied by using the density of states. The electronic properties like UV-Vis spectral analysis and HOMO-LUMO energies were reported. The calculated HOMO and LUMO energies shows that charge transfer interactions taking place within the molecule. Mulliken population analysis on atomic charges, Statistical thermodynamic properties at various temperatures of the PBA is also calculated.

  5. DFT computations and spectroscopic analysis of p-bromoacetanilide.

    PubMed

    Gnanasambandan, T; Gunasekaran, S; Seshadri, S

    2014-03-25

    This work presents the characterization of p-bromoacetanilide (PBA) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated by FT-IR, FT-Raman and UV-Vis techniques. The structural and spectroscopic data of the molecule were obtained from B3LYP/6-311++ G(d,p) and MPW1PW91/6-311++G(d,p) basis set calculations. The theoretical wavenumbers were scaled and compared with experimental FT-IR and FT-Raman spectra. The complete assignments were performed on the basis of the normal co-ordinate analysis (NCA), experimental results and potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method, interpreted in terms of fundamental modes. The stability of molecule has been analyzed by NBO/NLMO analysis. The molecular orbital contributions were studied by using the density of states. The electronic properties like UV-Vis spectral analysis and HOMO-LUMO energies were reported. The calculated HOMO and LUMO energies shows that charge transfer interactions taking place within the molecule. Mulliken population analysis on atomic charges, Statistical thermodynamic properties at various temperatures of the PBA is also calculated. PMID:24334018

  6. Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical

    SciTech Connect

    Eisfeld, Wolfgang [Theoretische Chemie, Fakultaet fuer Chemie, Universitaet Bielefeld, Postfach 100131, D-33501 Bielefeld (Germany); Francisco, Joseph S. [Department of Chemistry and Department of Earth and Atmospheric Sciences, Purdue University, West Lafayette, Indiana 47907-2084 (United States)

    2009-10-07

    The hydroxymethoxy (HMO) radical is proposed to be the primary product of photodissociation of the atmospherically important hydroxymethyl hydroperoxide (HMHP). This transient species is still unknown and the present study provides theoretical predictions of properties, spectroscopy, and photochemistry of this radical for the first time. Structures, harmonic frequencies, vertical and vibrationally resolved absorption spectra are computed for several electronic states, using state-of-the-art ab initio electronic structure methods. The lowest excited state, absorbing in the mid to near infrared, seems to be the most promising candidate for spectroscopic identification of HMO. The electron affinity of 2.232 eV and the characteristic photodetachment spectrum is also predicted to be suitable for experimental investigations. By contrast, the B-tilde state absorbing around 3.5 eV is proposed to undergo fast photodissociation, forming CH{sub 2}O and OH, and thus appears less useful for spectroscopic detection of HMO. However, the photodissociation may be important for the atmospheric chemistry of HMHP. Ionization of HMO will also lead to dissociation or rearrangement of the cation and will yield only unspecific spectra.

  7. Spectroscopic ellipsometry data analysis: Measured vs. calculated quantities

    SciTech Connect

    Jellison, G.E. Jr.

    1997-05-01

    Spectroscopic ellipsometry is a very powerful technique for optical characterization of thin-film and bulk materials, but the technique measures functions of complex reflection coefficients, which are usually not of interest per se. The interesting characteristics such as film thickness, surface roughness thickness, and optical functions can be determined only by modeling the near-surface region of the sample. However, the measured quantities are not equivalent to those determined from the modeling. Ellipsometry measurements determine elements of the sample Mueller matrix, but the usual result of modeling calculations are elements of the sample. Often this difference is academic, but if the sample depolarizes the light, it is not. Ellipsometry calculations also include methods for determining the optical functions of materials. Data for bulk materials are usually accurate for substrates, but are not appropriate for most thin films. Therefore, reasonable parameterizations are quite useful in performing spectroscopic ellipsometry data analysis. Recently, there has been an increased interest in anisotropic materials, both in thin-film and bulk form. A generalized procedure will be presented for calculating the elements of the Jones matrix for any number of layers, any one of which may or may not be uniaxial.

  8. Asymptotic safety: A simple example

    SciTech Connect

    Braun, Jens; Gies, Holger; Scherer, Daniel D. [Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, D-07743 Jena (Germany)

    2011-04-15

    We use the Gross-Neveu model in 2example for Weinberg's asymptotic safety scenario: despite being perturbatively nonrenormalizable, the model defines an interacting quantum field theory being valid to arbitrarily high momentum scales owing to the existence of a non-Gaussian fixed point. Using the functional renormalization group, we study the uv behavior of the model in both the purely fermionic as well as a partially bosonized language. We show that asymptotic safety is realized at non-Gaussian fixed points in both formulations, the universal critical exponents of which we determine quantitatively. The partially bosonized formulation allows to make contact to the large-N{sub f} expansion where the model is known to be renormalizable to all orders. In this limit, the fixed-point action as well as all universal critical exponents can be computed analytically. As asymptotic safety has become an important scenario for quantizing gravity, our description of a well-understood model is meant to provide for an easily accessible and controllable example of modern nonperturbative quantum field theory.

  9. THE PRELIMINARY APPLICATION OF THE NEW METHOD FOR MONITORING FARMLAND DROUGHT BASED ON N-DIMENSIONAL SPECTRAL FEATURE SPACE TAKING WHEAT DROUGHT MONITORING IN NING XIA AS AN EXAMPLE

    Microsoft Academic Search

    Nan Yang; Qiming Qin; Chuan Jin; Yunjun Yao

    Drought is a chronic, potential natural disaster, which affects human survival seriously by altering the social stability, agricultural production and sustainable development of resources and eco-environments. Since early 80's of twentieth century, remote sensing methods for drought monitoring have been widely studied. Many scholars put forward different models for drought monitoring based on the analysis of visible, near-infrared, infrared and

  10. The HITRAN 2008 Molecular Spectroscopic Database

    NASA Technical Reports Server (NTRS)

    Rothman, Laurence S.; Gordon, Iouli E.; Barbe, Alain; Benner, D. Chris; Bernath, Peter F.; Birk, Manfred; Boudon, V.; Brown, Linda R.; Campargue, Alain; Champion, J.-P.; Chance, Kelly V.; Coudert, L. H.; Sung, K.; Toth, R. A.

    2009-01-01

    This paper describes the status of the 2008 edition of the HITRAN molecular spectroscopic database. The new edition is the first official public release since the 2004 edition, although a number of crucial updates had been made available online since 2004. The HITRAN compilation consists of several components that serve as input for radiative-transfer calculation codes: individual line parameters for the microwave through visible spectra of molecules in the gas phase; absorption cross-sections for molecules having dense spectral features, i.e., spectra in which the individual lines are not resolved; individual line parameters and absorption cross sections for bands in the ultra-violet; refractive indices of aerosols, tables and files of general properties associated with the database; and database management software. The line-by-line portion of the database contains spectroscopic parameters for forty-two molecules including many of their isotopologues.

  11. The diode laser as a spectroscopic tool

    Microsoft Academic Search

    R. W. FOX; C. S. WEIMER; L. HOLLBERG; G. C. TURK

    Abtmct-T'he properties of diode lasers that make them attractive as spectroscopic sourccs are hscussed, along with the use of extended cavities to enhance their tuning range and reduce their lhewidths. Semiconductors can now provide efficient, tunable, narrow linewidth laser light over much of the red and near4.r. region of the spectrum. The progress in using nonhnear optics to extend the

  12. PESSTO spectroscopic classification of optical transients

    NASA Astrophysics Data System (ADS)

    Blagorodnova, N.; Campbell, H.; Fraser, M.; Walton, N.; Anderson, J.; Benetti, S.; Pastorello, A.; Inserra, C.; Smartt, S.; Smith, K.; Young, D.; Sullivan, M.; Taubenberger, S.; Valenti, S.; Yaron, O.; Gal-Yam, A.; Knapic, C.; Smareglia, R.; Molinaro, M.; Manulis, Ilan; Baltay, C.; Ellman, N.; Hadjiyska, E.; McKinnon, R.; Rabinowitz, D.; Walker, E. S.; Feindt, U.; Kowalski, M.; Nugent, P.; Wright, D.; Kotak, R.; Valenti, S.; Burgett, W.; Chambers, K.; Huber, M.; Kudritzki, R. P.; Magnier, E.; Morgan, J.; Stubbs, C.; Sweeney, W.; Tonry, J.; Waters, C.; Draper, P.; Metcalfe, N.; Rest, A.; Wyrzykowski, L.

    2014-02-01

    PESSTO, the Public ESO Spectroscopic Survey for Transient Objects (see Valenti et al., ATel #4037; http://www.pessto.org ), reports the following supernova classifications. Targets were supplied by the La Silla-Quest survey (see Hadjiyska et al., ATel #3812), the OGLE-IV Transient Search (ATel #4495; Wyrzykowski et al. 2012), Pan-STARRS (see Valenti et al., ATel #2668) and the Catalina Real-time Transient Survey (http://crts.caltech.edu/).

  13. PESSTO spectroscopic classification of optical transients

    NASA Astrophysics Data System (ADS)

    Blagorodnova, N.; Walton, N.; Fraser, M.; Campbell, Heather; De Cia, A.; Elias-Rosa, Nancy; Manulis, Ilan; Benetti, S.; Pastorello, A.; Inserra, C.; Smartt, S.; Smith, K.; Young, D.; Sullivan, M.; Taubenberger, S.; Valenti, S.; Yaron, O.; Gal-Yam, A.; Knapic, C.; Smareglia, R.; Molinaro, M.; Wyrzykowski, L.; Baltay, C.; Ellman, N.; Hadjiyska, E.; McKinnon, R.; Rabinowitz, D.; Walker, E. S.; Feindt, U.; Kowalski, M.; Nugent, P.; Chronock, Ryan

    2014-02-01

    PESSTO, the Public ESO Spectroscopic Survey for Transient Objects (see Valenti et al., ATel #4037; http://www.pessto.org), reports the following supernova classifications. Targets were supplied by the Catalina Real-time Transient Survey (http://crts.caltech.edu/), the La Silla Quest Survey (see Hadjiyska et al., ATel #3812), and the OGLE-IV Transient Search (ATel #4495; Wyrzykowski et al. 2012).

  14. Soil Organic Phosphorus Speciation Using Spectroscopic Techniques

    Microsoft Academic Search

    Ashlea L. Doolette; Ronald J. Smernik

    \\u000a The most commonly used differentiation of soil phosphorus (P) is between inorganic and organic forms, despite the fact that\\u000a this is only the beginning of soil P speciation. Forms of inorganic and organic soil P include a large range of specific P\\u000a compounds, and spectroscopic techniques can offer the best potential for determining the speciation of soil organic P. The

  15. Spectral hole burning: examples from photosynthesis.

    PubMed

    Purchase, Robin; Völker, Silvia

    2009-01-01

    The optical spectra of photosynthetic pigment-protein complexes usually show broad absorption bands, often consisting of a number of overlapping, "hidden" bands belonging to different species. Spectral hole burning is an ideal technique to unravel the optical and dynamic properties of such hidden species. Here, the principles of spectral hole burning (HB) and the experimental set-up used in its continuous wave (CW) and time-resolved versions are described. Examples from photosynthesis studied with hole burning, obtained in our laboratory, are then presented. These examples have been classified into three groups according to the parameters that were measured: (1) hole widths as a function of temperature, (2) hole widths as a function of delay time and (3) hole depths as a function of wavelength. Two examples from light-harvesting (LH) 2 complexes of purple bacteria are given within the first group: (a) the determination of energy-transfer times from the chromophores in the B800 ring to the B850 ring, and (b) optical dephasing in the B850 absorption band. One example from photosystem II (PSII) sub-core complexes of higher plants is given within the second group: it shows that the size of the complex determines the amount of spectral diffusion measured. Within the third group, two examples from (green) plants and purple bacteria have been chosen for: (a) the identification of "traps" for energy transfer in PSII sub-core complexes of green plants, and (b) the uncovering of the lowest k = 0 exciton-state distribution within the B850 band of LH2 complexes of purple bacteria. The results prove the potential of spectral hole burning measurements for getting quantitative insight into dynamic processes in photosynthetic systems at low temperature, in particular, when individual bands are hidden within broad absorption bands. Because of its high-resolution wavelength selectivity, HB is a technique that is complementary to ultrafast pump-probe methods. In this review, we have provided an extensive bibliography for the benefit of scientists who plan to make use of this valuable technique in their future research. PMID:19714478

  16. Spectroscopic studies of the transplutonium elements

    SciTech Connect

    Carnall, W.T.; Conway, J.G.

    1983-01-01

    The challenging opportunity to develop insights into both atomic structure and the effects of bonding in compounds makes the study of actinide spectroscopy a particularly fruitful and exciting area of scientific endeavor. It is also the interpretation of f-element spectra that has stimulated the development of the most sophisticated theoretical modeling attempted for any elements in the periodic table. The unique nature of the spectra and the wealth of fine detail revealed make possible sensitive tests of both physical models and the results of Hartree-Fock type ab initio calculations. This paper focuses on the unique character of heavy actinide spectroscopy. It discusses how it differs from that of the lighter member of the series and what are the special properties that are manifested. Following the introduction, the paper covers the following: (1) the role of systematic studies and the relationships of heavy-actinide spectroscopy to ongoing spectroscopic investigations of the lighter members of the series; (2) atomic (free-ion) spectra which covers the present status of spectroscopic studies with transplutonium elements, and future needs and directions in atomic spectroscopy; (3) the spectra of actinide compounds which covers the present status and future directions of spectroscopic studies with compounds of the transplutonium elements; and other spectroscopies. 1 figure, 2 tables.

  17. The use and generation of illustrative examples in computer-based instructional systems

    NASA Technical Reports Server (NTRS)

    Selig, William John; Johannes, James D.

    1987-01-01

    A method is proposed whereby the underlying domain knowledge is represented such that illustrative examples may be generated on demand. This method has the advantage that the generated example can follow changes in the domain in addition to allowing automatic customization of the example to the individual.

  18. Psychoneuroimmunology: the example of psoriasis

    PubMed Central

    Moynihan, J.; Rieder, E.; Tausk, F.

    2013-01-01

    The relationship between the central nervous system (CNS) and the endocrine system have been known for many years. Indeed some of the hormone secreting glands are actually located in the brain. The notion that the CNS and hormones are also involved in the bi-directional cross-talk with the Immune System has been the target of intense research in the recent decades. In this manner, for example, psychological states can be closely related to changes in immune mediators, and not only they may influence the evolution of human diseases, but may in the future lead to novel therapeutic interventions. This is the subject of this review, with particular emphasis on the role of psychoneuroimmunology (PNI) in psoriasis. PMID:20467396

  19. Spectroscopic characterization of the chiral structure of individual single-walled carbon nanotubes and the edge structure of isolated graphene nanoribbons.

    PubMed

    Zhang, Daqi; Yang, Juan; Li, Yan

    2013-04-22

    The chiral structure of single-walled carbon nanotubes (SWNTs) and the edge structure of graphene nanoribbons (GNRs) play an important role in determining their electronic and phonon structures. Spectroscopic methods, which require simple sample preparation and cause minimal sample damage, are the most commonly utilized techniques for determining the structures of SWNTs and graphene. In this review the current status of various spectroscopic methods are presented in detail, including resonance Raman, photoluminescence (PL), and Rayleigh scattering spectroscopies, for determination of the chiral structure of individual SWNTs and the edge structure of isolated graphene, especially of graphene nanoribbons. The different photophysical processes involved in each spectroscopic method are reviewed to achieve a comprehensive understanding of the electronic and phonon properties of SWNTs and graphene. The advantages and limitations of each spectroscopic method as well as the challenges in this area are discussed. PMID:23529997

  20. Normal-incidence spectroscopic ellipsometry for critical dimension Hsu-Ting Huang, Wei Kong, and Fred Lewis Terry, Jr.a)

    E-print Network

    Terry, Fred L.

    Normal-incidence spectroscopic ellipsometry for critical dimension monitoring Hsu-Ting Huang, Wei method--rigorous couple wave analysis RCWA .13,14 Our theoretical and experimental data will be presented

  1. Pooling optimal combinations of energy thresholds in spectroscopic CT

    NASA Astrophysics Data System (ADS)

    Koenig, Thomas; Zuber, Marcus; Hamann, Elias; Runz, Armin; Fiederle, Michael; Baumbach, Tilo

    2014-03-01

    Photon counting detectors used in spectroscopic CT are often based on small pixels and therefore offer only limited space to include energy discriminators and their associated counters in each pixel cell. For this reason, it is important to make efficient use of the available energy discriminators in order to achieve an optimized material contrast at a radiation dose as low as possible. Unfortunately, the complexity of evaluating every possible combination of energy thresholds, given a fixed number of counters, rapidly increases with the resolution at which this search is performed, and makes brute-force approaches to this problem infeasible. In this work, we introduce methods from machine learning, in particular sparse regression, to perform a feature selection to determine optimal combinations of energy thresholds. We will demonstrate how methods enforcing row-sparsity on a linear regression's coefficient matrix can be applied to the multiple response problem in spectroscopic CT, i.e. the case in which a single set of energy thresholds is sought to simultaneously retrieve concentrations pertaining to a multitude of materials in an optimal way. These methods are applied to CT images experimentally obtained with a Medipix3RX detector operated in charge summing mode and with a CdTe sensor at a pixel pitch of 110?m. We show that the least absolute shrinkage and selection operator (lasso), generalized to the multiple response case, chooses four out of 20 possible threshold positions that allow discriminating PMMA, iodine and gadolinium in a contrast agent phantom at a higher accuracy than with equally spaced thresholds. Finally, we illustrate why it might be unwise to use a higher number of energy thresholds than absolutely necessary.

  2. The properties of ammonium dinitramide (ADN): Part 1, basic properties and spectroscopic data

    Microsoft Academic Search

    H. Östmark; U. Bemm; A. Langlet; R. Sandén; N. Wingborg

    2000-01-01

    Basic properties and spectroscopic data for the energetic oxidizer ADN (Ammonium dinitramide (NH4N(NO2)2)) are presented. The ADN used for this work was synthesized by a new efficient and environmentally friendly method. The method is based on a direct nitration of salts of sulfamic acid by ordinary mixed acid, followed by neutralization and separation of the ADN by the use of

  3. A Spectroscopic Method to Measure Macho Proper Motions

    E-print Network

    Dan Maoz; Andrew Gould

    1994-01-12

    A Massive Compact Halo Object (Macho) that lenses a background star will magnify different parts of the rotating stellar disk by varying amounts. The differential magnification will cause a shift in the centroid of the star's spectral lines during the lensing event. The shift is proportional to the ratio of the stellar radius to the projected separation of the Macho from the star. It therefore provides a direct measure of the Einstein ring radius, and so also a measure of the Macho's proper motion (angular speed). This measurement can remove some of the degeneracy between mass, distance to the lens, and transverse velocity that exists in the interpretation of results from ongoing microlensing experiments, and is an independent test of the lensing nature of the event. We show that using the high precision attainable by stellar radial velocity measurements, it is possible to measure proper motions for $\\sim 10\\%$ of Machos that lens A-stars in the Large Magellanic Cloud (LMC), i.e.\\ $\\sim 7\\%$ of the type of relatively high-magnification events that have been reported to date. If this proper-motion measurement were combined with a parallax measurement of the ``reduced velocity'', then the Macho mass, distance, speed, and direction could each be separately determined. The shift can be measured for $\\sim 20\\%$ of the A-star events generated by Machos in the dark halo of the LMC. This in turn would provide a measurement of the fraction of LMC vs. Galactic Macho events.

  4. Electron Spectroscopic Methods for the Investigation of Liquid Surface Structure

    Microsoft Academic Search

    Harald Morgner

    1996-01-01

    The goal of our work is the elucidation of the surface structure of liquids on the molecular level. We use several electron spectroscopies and related techniques. In photoelectron spectroscopy the observation depth is governed by the mean free path of the photoelectrons which in turn depends on the kinetic energy. Using synchrotron radiation as source of photons the energy and

  5. METHOD

    Microsoft Academic Search

    J. P. Fulton; B. Wincheski; M. Namkung

    The thermoelectric method monitors the thermoelectric power which is sensitive to small changes in the kinetics of the conduction electrons near the Fermi surface that can be caused by changes in the local microstructure. The technique has been applied to metal sort- ing, quality testing, fl aw detection, thickness gauging of layers, and microscopic structural analysis(1-6). To demonstrate the effectiveness

  6. Diffuse-Reflectance Mid-IR and NIR Spectroscopic Properties of Mycorrhizal and Non-mycorrhizal roots

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Quantification of mycorrhizae by traditional methods is slow and prone to observer bias. A quick spectroscopic method would allow for the identification of mycorrhizal roots of large sample sets. In this experiment, we measured the diffuse-reflectance Fourier-Transformed Mid-IR and NIR spectral prop...

  7. New high resolution (> 1.5×10 5) VUV spectroscopic facilities in Japan and the United States

    NASA Astrophysics Data System (ADS)

    Ginter, M. L.

    1986-05-01

    Two new high resolution VUV spectroscopic facilities have been constructed for use in studies of electronic structures and processes in atoms and small molecules, one at the Photon Factory (Tsukuba, Japan) and one at SURF II (Gaithersburg, USA). This paper (1) reviews the need for precise, highly resolved cross-section data, (2) describes the two new storage ring based facilities, and (3) outlines several examples of experiments being performed as Japanese-American cooperative efforts.

  8. On spectroscopic factors of magic and semimagic nuclei

    SciTech Connect

    Saperstein, E. E. [Kurchatov Institute, 123182 Moscow (Russian Federation); Gnezdilov, N. V. [Kurchatov Institute, 123182 Moscow, Russia and National Research Nuclear University MEPhI, 115409 Moscow (Russian Federation); Tolokonnikov, S. V. [Kurchatov Institute, 123182 Moscow, Russia and Moscow Institute of Physics and Technology, 141700 Dolgoprudny (Russian Federation)

    2014-10-15

    Single-particle spectroscopic factors (SF) of magic and semimagic nuclei are analyzed within the self-consistent theory of finite Fermi systems. The the in-volume energy dependence of the mass operator ? is taken into account in addition to the energy dependence induced by the surface-phonon coupling effects which is commonly considered. It appears due to the effect of high-lying collective and non-collective particle-hole excitations and persists in nuclear matter. The self-consistent basis of the energy density functional method by Fayans et al. is used. Both the surface and in-volume contributions to the SFs turned out to be of comparable magnitude. Results for magic {sup 208}Pb nucleus and semimagic lead isotopes are presented.

  9. Raman spectroscopic study of a genetically altered kidney cell

    NASA Astrophysics Data System (ADS)

    Joshi, Joel; Garcia, Francisco; Centeno, Silvia P.; Joshi, N. V.

    2008-02-01

    A Raman spectroscopic investigation of a genetically altered Human Embryonic Kidney Cell (HEK293) along with a pathologically normal cell has been carried out by a conventional method. The genetic alteration was carried out with a standard protocol by using a Green Fluorescence Protein (GFP). Raman spectra show that there are dramatic differences between the spectrum obtained from a genetically altered cell and that obtained from a pathologically normal cell. The former shows three broad bands; meanwhile the latter shows several sharp peaks corresponding to the ring vibrational modes of Phen, GFP and DNA. The present analysis provides an indication that the force field near Phen located at 64, 65 and 66 was altered during the genetic transformation. The Raman spectrum could be a direct experimental evidence for substantial modifications triggered due to the expression of specific genes.

  10. Surface gravity analysis of the NIRSPEC Brown Dwarf Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Martin, Emily; McLean, Ian S.; Mace, Gregory N.; Logsdon, Sarah E.; Rice, Emily L.

    2015-01-01

    We present an analysis of J band spectra for over two hundred M, L, and T dwarfs obtained from the Brown Dwarf Spectroscopic Survey (BDSS) using NIRSPEC on the Keck II Telescope. This R~2000 sample includes spectra presented in McLean et al. (2003), as well as many new, unpublished spectra observed for the BDSS, more than doubling the size of the original survey. We determine surface gravity-sensitive spectral indices from the literature, which probe K I and FeH absorption, and we estimate uncertainties using a Monte Carlo iterative method. With these indices we characterize surface gravities of our targets in order to disentangle temperature and age of brown dwarfs and low mass stars of various masses.

  11. Fabrication and spectroscopic investigation of branched silver nanowires and nanomeshworks

    PubMed Central

    2012-01-01

    Wide wavelength ranges of light localization and scattering characteristics can be attributed to shape-dependent longitude surface plasmon resonance in complicated nanostructures. We have studied this phenomenon by spectroscopic measurement and a three-dimensional numerical simulation, for the first time, on the high-density branched silver nanowires and nanomeshworks at room temperature. These nanostructures were fabricated with simple light-induced colloidal method. In the range from the visible to the near-infrared wavelengths, light has been found effectively trapped in those trapping sites which were randomly distributed at the corners, the branches, and the junctions of the nanostructures in those nanostructures in three dimensions. The broadened bandwidth electromagnetic field enhancement property makes these branched nanostructures useful in optical processing and photovoltaic applications. PMID:23101991

  12. Structural and spectroscopic studies of a commercial glassy carbon

    NASA Astrophysics Data System (ADS)

    Parker, Stewart F.; Imberti, Silvia; Callear, Samantha K.; Albers, Peter W.

    2013-12-01

    Glassy carbon is a form of carbon made by heating a phenolic resin to high temperature in an inert atmosphere. It has been suggested that it is composed of fullerene-like structures. The aim of the present work was to characterize the material using both structural (neutron diffraction and transmission electron microscopy) and spectroscopic (inelastic neutron scattering, Raman and X-ray photoelectron spectroscopies) methods. We find no evidence to support the suggestion of fullerene-like material being present to a significant extent, rather the model that emerges from all of the techniques is that the material is very like amorphous carbon, consisting of regions of small graphite-like basic structural units of partly stacked but mismatched structure with the edges terminated by hydrogen or hydroxyls. We do find evidence for the presence of a small quantity of water trapped in the network and suggest that this may account for batch-to-batch variation in properties that may occur.

  13. Asymptotic safety: a simple example

    E-print Network

    Jens Braun; Holger Gies; Daniel D. Scherer

    2010-11-05

    We use the Gross-Neveu model in 2safety scenario: despite being perturbatively nonrenormalizable, the model defines an interacting quantum field theory being valid to arbitrarily high momentum scales owing to the existence of a non-Gaussian fixed point. Using the functional renormalization group, we study the UV behavior of the model in both the purely fermionic as well as a partially bosonized language. We show that asymptotic safety is realized at non-Gaussian fixed points in both formulations, the universal critical exponents of which we determine quantitatively. The partially bosonized formulation allows to make contact to the large-Nf expansion where the model is known to be renormalizable to all-orders. In this limit, the fixed-point action as well as all universal critical exponents can be computed analytically. As asymptotic safety has become an important scenario for quantizing gravity, our description of a well-understood model is meant to provide for an easily accessible and controllable example of modern nonperturbative quantum field theory.

  14. Modelling asteroid spectra: few examples

    NASA Astrophysics Data System (ADS)

    Birlan, M.; Popescu, M.

    2011-10-01

    Asteroidal population comprises now more than 500,000 objects. Several observational techniques (spectroscopy, adaptive optics, photometry, polarimetry, radar,..) are used in order to obtain a mature understanding of an overall knowledge of this population. Spectroscopy can play a key role in determining the chemical composition and physical process that took place and modified the surface of asteroids. The development of telescopic instruments and the possibility to access them remotely allowed an increasing number of asteroid spectral measurements. The exploitation of spectral measurements is one of the important items to enlarge our science of surfaces of atmosphereless bodies. Spectral data of asteroids are in continuing growth. To exploit these spectral data we must account the global science of this population as well as the knowledge derived by studies of comparative planetology. The project M4AST (Modeling for Asteroids) consists in a database containing the results of these telescopic measurements and a set of applications for spectral analysis (Fig. 1). M4AST cover several aspects related to statistics of asteroids (taxonomy), mineralogical solutions using laboratory spectra from RELAB, and mineralogical modeling using space weathering effects corroborated with radiative transfer laws. M4AST was conceived to be available via a web interface and will be available for the scientific community. The abilities of these routines will be highlighted by few examples. Science derived via M4AST obtained for (222) Lucia, (809) Lundia, (810) Atossa, (1005) Arago, (1220) Crocus, and (4486) Mithra will be presented.

  15. A new method for plasma citrate determination by reversed-phase high-performance liquid chromatography after ultrafiltration extraction: an example for bioequivalence evaluation of a medicinal endogenous substance.

    PubMed

    Gu, Yi; Wang, Guang-Ji; Sun, Jian-Guo; Zhang, Xiao-Yan; Sai, Yang

    2008-09-01

    Bioequivalence studies of pharmaceutical preparations of medicinal endogenous substances are generally lacking, as the endogenous background is the main obstacle for both experimental design and drug analysis. We conducted a single-dose, self-control, 3-period crossover study to evaluate the bioequivalence of a sustained-release versus an immediate-release preparation of potassium citrate for the treatment of urinary tract stones. This study included a placebo period to monitor the dynamics of endogenous plasma citrate, which could therefore be subtracted during the data processing. Notably, a new convenient method for plasma citrate determination utilizing ultrafiltration extraction and direct reversed-phase high-performance liquid chromatography (HPLC) was successfully applied in the study after validation. To our knowledge, this is the first report using simple reversed-phase HPLC to analyze plasma citrate, and ultrafiltration also significantly simplified the plasma extraction procedure. HPLC was performed using an ODS column, with acetonitrile and 0.02 mol/l sulfuric acid (3:97 v/v) as the mobile phase and ultraviolet detection at 210 nm. Results showed linearity from 10 to 200 microg/ml, an extraction recovery of more than 90% and analysis variability within 15% for additive citrate. The concentration of dog endogenous plasma citrate was determined to be about 30-40 microg/ml. The sustained-release preparation was bioequivalent to the immediate-release preparation in terms of the extent of absorption, but it could not achieve full effects due to a tmax issue. PMID:18985179

  16. Determination of a selection of anti-epileptic drugs and two active metabolites in whole blood by reversed phase UPLC-MS/MS and some examples of application of the method in forensic toxicology cases.

    PubMed

    Karinen, Ritva; Vindenes, Vigdis; Hasvold, Inger; Olsen, Kirsten Midtbøen; Christophersen, Asbjørg S; Oiestad, Elisabeth

    2014-10-20

    Quantitative determination of anti-epileptic drug concentrations is of great importance in forensic toxicology cases. Although the drugs are not usually abused, they are important post-mortem cases where the question of both lack of compliance and accidental or deliberate poisoning might be raised. In addition these drugs can be relevant for driving under the influence cases. A reversed phase ultra-performance liquid chromatography-tandem mass spectrometry method has been developed for the quantitative analysis of the anti-epileptic compounds carbamazepine, carbamazepine-10,11-epoxide, gabapentin, lamotrigine, levetiracetam, oxcarbazepine, 10-OH-carbazepine, phenobarbital, phenytoin, pregabalin, and topiramate in whole blood, using 0.1?mL sample volume with methaqualone as internal standard. Sample preparation was a simple protein precipitation with acetonitrile and methanol. The diluted supernatant was directly injected into the chromatographic system. Separation was performed on an Acquity UPLC® BEH Phenyl column with gradient elution and a mildly alkaline mobile phase. The mass spectrometric detection was performed in positive ion mode, except for phenobarbital, and multiple reaction monitoring was used for drug quantification. The limits of quantification for the different anti-epileptic drugs varied from 0.064 to 1.26?mg/L in blood, within-day and day-to-day relative standard deviations from 2.2 to 14.7% except for phenobarbital. Between-day variation for phenobarbital was 20.4% at the concentration level of 3.5?mg/L. The biases for all compounds were within ±17.5%. The recoveries ranged between 85 and 120%. The corrected matrix effects were 88-106% and 84-110% in ante-mortem and post-mortem whole blood samples, respectively. Copyright © 2014 John Wiley & Sons, Ltd. PMID:25331692

  17. Dine on Rich Functional Examples

    ERIC Educational Resources Information Center

    Robichaux, Rebecca R.; Rodrigue, Paulette R.

    2011-01-01

    Given the importance of algebra, middle school mathematics teachers have a responsibility to help students transition from understanding arithmetic to understanding the algebra that will be necessary for success in high school. One method of transition involves introducing algebraic concepts in concrete ways using meaningful contexts. The series…

  18. A Combined EIS-NVSS Survey Of Radio Sources (CENSORS) III: Spectroscopic observations

    E-print Network

    M. H. Brookes; P. N. Best; J. A. Peacock; H. J. A. Rottgering; J. S. Dunlop

    2008-02-08

    The Combined EIS-NVSS Survey Of Radio Sources (CENSORS) is a 1.4GHz radio survey selected from the NRAO VLA Sky Survey (NVSS) and complete to a flux-density of 7.2mJy. It targets the ESO Imaging Survey (EIS) Patch D, which is a 3 by 2 square degree field centred on 09 51 36.0, -21 00 00 (J2000). This paper presents the results of spectroscopic observations of 143 of the 150 CENSORS sources. The primary motivation for these observations is to achieve sufficient spectroscopic completeness so that the sample may be used to investigate the evolution of radio sources. The observations result in secure spectroscopic redshifts for 63% of the sample and likely redshifts (based on a single emission line, for example) for a further 8%. Following the identification of the quasars and star-forming galaxies in the CENSORS sample, estimated redshifts are calculated for the remainder of the sample via the K-z relation for radio galaxies. Comparison of the redshift distribution of the CENSORS radio sources to distributions predicted by the various radio luminosity function evolution models of Dunlop & Peacock 1990, results in no good match. This demonstrates that this sample can be used to expand upon previous work in that field.

  19. Bioinformatics by Example: From Sequence to Target

    NASA Astrophysics Data System (ADS)

    Kossida, Sophia; Tahri, Nadia; Daizadeh, Iraj

    2002-12-01

    With the completion of the human genome, and the imminent completion of other large-scale sequencing and structure-determination projects, computer-assisted bioscience is aimed to become the new paradigm for conducting basic and applied research. The presence of these additional bioinformatics tools stirs great anxiety for experimental researchers (as well as for pedagogues), since they are now faced with a wider and deeper knowledge of differing disciplines (biology, chemistry, physics, mathematics, and computer science). This review targets those individuals who are interested in using computational methods in their teaching or research. By analyzing a real-life, pharmaceutical, multicomponent, target-based example the reader will experience this fascinating new discipline.

  20. Example Elaboration as a Neglected Instructional Strategy

    SciTech Connect

    Girill, T R

    2001-07-18

    Over the last decade an unfolding cognitive-psychology research program on how learners use examples to develop effective problem solving expertise has yielded well-established empirical findings. Chi et al., Renkl, Reimann, and Neubert (in various papers) have confirmed statistically significant differences in how good and poor learners inferentially elaborate (self explain) example steps as they study. Such example elaboration is highly relevant to software documentation and training, yet largely neglected in the current literature. This paper summarizes the neglected research on example use and puts its neglect in a disciplinary perspective. The author then shows that differences in support for example elaboration in commercial software documentation reveal previously over looked usability issues. These issues involve example summaries, using goals and goal structures to reinforce example elaborations, and prompting readers to recognize the role of example parts. Secondly, I show how these same example elaboration techniques can build cognitive maturity among underperforming high school students who study technical writing. Principle based elaborations, condition elaborations, and role recognition of example steps all have their place in innovative, high school level, technical writing exercises, and all promote far transfer problem solving. Finally, I use these studies to clarify the constructivist debate over what writers and readers contribute to text meaning. I argue that writers can influence how readers elaborate on examples, and that because of the great empirical differences in example study effectiveness (and reader choices) writers should do what they can (through within text design features) to encourage readers to elaborate examples in the most successful ways. Example elaboration is a uniquely effective way to learn from worked technical examples. This paper summarizes years of research that clarifies example elaboration. I then show how example elaboration can make complex software documentation more useful, improve the benefits of technical writing exercises for underperforming students, and enlighten the general discussion of how writers can and should help their readers.

  1. Are your Spectroscopic Data Being Used?

    NASA Astrophysics Data System (ADS)

    Gordon, Iouli E.; Rothman, Laurence S.; Wilzewski, Jonas

    2014-06-01

    Spectroscopy is an established and indispensable tool in science, industry, agriculture, medicine, surveillance, etc.. The potential user of spectral data, which is not available in HITRAN or other databases, searches the spectroscopy publications. After finding the desired publication, the user very often encounters the following problems: 1) They cannot find the data described in the paper. There can be many reasons for this: nothing is provided in the paper itself or supplementary material; the authors are not responding to any requests; the web links provided in the paper have long been broken; etc. 2) The data is presented in a reduced form, for instance through the fitted spectroscopic constants. While this is a long-standing practice among spectroscopists, there are numerous serious problems with this practice, such as users getting different energy and intensity values because of different representations of the solution to the Hamiltonian, or even just despairing of trying to generate usable line lists from the published constants. Properly providing the data benefits not only users but also the authors of the spectroscopic research. We will show that this increases citations to the spectroscopy papers and visibility of the research groups. We will also address the quite common issue when researchers obtain the data, but do not feel that they have time, interest or resources to write an article describing it. There are modern tools that would allow one to make these data available to potential users and still get credit for it. However, this is a worst case scenario recommendation, i.e., publishing the data in a peer-reviewed journal is still the preferred way. L. S. Rothman, I. E. Gordon, et al. "The HITRAN 2012 molecular spectroscopic database," JQSRT 113, 4-50 (2013).

  2. Spectroscopic Applications of State-Selected Sympathetically-Cooled Molecular Ions

    NASA Astrophysics Data System (ADS)

    Tong, Xin; Germann, Matthias; Willitsch, Stefan

    2012-06-01

    Cold molecular ions prepared by sympathetic cooling with laser-cooled ions in an ion trap represent attractive systems for new spectroscopic experiments. The long trapping times (up to hours) and state lifetimes (up to minutes) in an almost perturbation-free environment enable the long interaction times required for the study of forbidden spectroscopic transitions which have not been accessible before in molecular ions. Here, we present a proof-of-principle experiment for the investigation of dipole-forbidden infrared transitions in cold N{_2^+} ions using quantum-cascade-laser technology in combination with action spectroscopy. Because sympathetic-cooling experiments typically use small ensembles of tens to hundreds of ions, the confinement of their population into a single quantum state is essential to improve the sensitivity of our experiments. This is achieved by state-selective generation of the ions using threshold photoionization followed by sympathetic cooling. Finally, we discuss the experimental requirements for performing highly sensitive spectroscopic measurements on trapped, cold molecular ions and present an outlook on current developments which employ quantum-logic methods for non-destructive spectroscopic studies on single sympathetically cold molecular ions. S. Willitsch, M. Bell, A. Gingell and T. P. Softley Phys. Chem. Chem. Phys. 10, 7200 2008. X. Tong, A. Winney and S. Willitsch Phys. Rev. Lett. 105, 143002 2010. X. Tong, D. Wild and S. Willitsch Phys. Rev. A 83, 023415 2011. J. Mur-Petit, J. J. Carcia-Ripoll and S. Willitsch et al. Phys. Rev. A 85, 022308 2012.

  3. The Gaia-ESO Public Spectroscopic Survey

    NASA Astrophysics Data System (ADS)

    Gilmore, G.; Randich, S.; Asplund, M.; Binney, J.; Bonifacio, P.; Drew, J.; Feltzing, S.; Ferguson, A.; Jeffries, R.; Micela, G.; Negueruela, I.; Prusti, T.; Rix, H.-W.; Vallenari, A.; Alfaro, E.; Allende-Prieto, C.; Babusiaux, C.; Bensby, T.; Blomme, R.; Bragaglia, A.; Flaccomio, E.; François, P.; Irwin, M.; Koposov, S.; Korn, A.; Lanzafame, A.; Pancino, E.; Paunzen, E.; Recio-Blanco, A.; Sacco, G.; Smiljanic, R.; Van Eck, S.; Walton, N.; Aden, D.; Aerts, C.; Affer, L.; Alcala, J.-M.; Altavilla, G.; Alves, J.; Antoja, T.; Arenou, F.; Argiroffi, C.; Asensio Ramos, A.; Bailer-Jones, C.; Balaguer-Nunez, L.; Bayo, A.; Barbuy, B.; Barisevicius, G.; Barrado y Navascues, D.; Battistini, C.; Bellas Velidis, I.; Bellazzini, M.; Belokurov, V.; Bergemann, M.; Bertelli, G.; Biazzo, K.; Bienayme, O.; Bland-Hawthorn, J.; Boeche, C.; Bonito, S.; Boudreault, S.; Bouvier, J.; Brandao, I.; Brown, A.; de Bruijne, J.; Burleigh, M.; Caballero, J.; Caffau, E.; Calura, F.; Capuzzo-Dolcetta, R.; Caramazza, M.; Carraro, G.; Casagrande, L.; Casewell, S.; Chapman, S.; Chiappini, C.; Chorniy, Y.; Christlieb, N.; Cignoni, M.; Cocozza, G.; Colless, M.; Collet, R.; Collins, M.; Correnti, M.; Covino, E.; Crnojevic, D.; Cropper, M.; Cunha, M.; Damiani, F.; David, M.; Delgado, A.; Duffau, S.; Edvardsson, B.; Eldridge, J.; Enke, H.; Eriksson, K.; Evans, N. W.; Eyer, L.; Famaey, B.; Fellhauer, M.; Ferreras, I.; Figueras, F.; Fiorentino, G.; Flynn, C.; Folha, D.; Franciosini, E.; Frasca, A.; Freeman, K.; Fremat, Y.; Friel, E.; Gaensicke, B.; Gameiro, J.; Garzon, F.; Geier, S.; Geisler, D.; Gerhard, O.; Gibson, B.; Gomboc, A.; Gomez, A.; Gonzalez-Fernandez, C.; Gonzalez Hernandez, J.; Gosset, E.; Grebel, E.; Greimel, R.; Groenewegen, M.; Grundahl, F.; Guarcello, M.; Gustafsson, B.; Hadrava, P.; Hatzidimitriou, D.; Hambly, N.; Hammersley, P.; Hansen, C.; Haywood, M.; Heber, U.; Heiter, U.; Held, E.; Helmi, A.; Hensler, G.; Herrero, A.; Hill, V.; Hodgkin, S.; Huelamo, N.; Huxor, A.; Ibata, R.; Jackson, R.; de Jong, R.; Jonker, P.; Jordan, S.; Jordi, C.; Jorissen, A.; Katz, D.; Kawata, D.; Keller, S.; Kharchenko, N.; Klement, R.; Klutsch, A.; Knude, J.; Koch, A.; Kochukhov, O.; Kontizas, M.; Koubsky, P.; Lallement, R.; de Laverny, P.; van Leeuwen, F.; Lemasle, B.; Lewis, G.; Lind, K.; Lindstrom, H. P. E.; Lobel, A.; Lopez Santiago, J.; Lucas, P.; Ludwig, H.; Lueftinger, T.; Magrini, L.; Maiz Apellaniz, J.; Maldonado, J.; Marconi, G.; Marino, A.; Martayan, C.; Martinez-Valpuesta, I.; Matijevic, G.; McMahon, R.; Messina, S.; Meyer, M.; Miglio, A.; Mikolaitis, S.; Minchev, I.; Minniti, D.; Moitinho, A.; Momany, Y.; Monaco, L.; Montalto, M.; Monteiro, M. J.; Monier, R.; Montes, D.; Mora, A.; Moraux, E.; Morel, T.; Mowlavi, N.; Mucciarelli, A.; Munari, U.; Napiwotzki, R.; Nardetto, N.; Naylor, T.; Naze, Y.; Nelemans, G.; Okamoto, S.; Ortolani, S.; Pace, G.; Palla, F.; Palous, J.; Parker, R.; Penarrubia, J.; Pillitteri, I.; Piotto, G.; Posbic, H.; Prisinzano, L.; Puzeras, E.; Quirrenbach, A.; Ragaini, S.; Read, J.; Read, M.; Reyle, C.; De Ridder, J.; Robichon, N.; Robin, A.; Roeser, S.; Romano, D.; Royer, F.; Ruchti, G.; Ruzicka, A.; Ryan, S.; Ryde, N.; Santos, N.; Sanz Forcada, J.; Sarro Baro, L. M.; Sbordone, L.; Schilbach, E.; Schmeja, S.; Schnurr, O.; Schoenrich, R.; Scholz, R.-D.; Seabroke, G.; Sharma, S.; De Silva, G.; Smith, M.; Solano, E.; Sordo, R.; Soubiran, C.; Sousa, S.; Spagna, A.; Steffen, M.; Steinmetz, M.; Stelzer, B.; Stempels, E.; Tabernero, H.; Tautvaisiene, G.; Thevenin, F.; Torra, J.; Tosi, M.; Tolstoy, E.; Turon, C.; Walker, M.; Wambsganss, J.; Worley, C.; Venn, K.; Vink, J.; Wyse, R.; Zaggia, S.; Zeilinger, W.; Zoccali, M.; Zorec, J.; Zucker, D.; Zwitter, T.; Gaia-ESO Survey Team

    2012-03-01

    The Gaia-ESO Public Spectroscopic Survey has begun and will obtain high quality spectroscopy of some 100000 Milky Way stars, in the field and in open clusters, down to magnitude 19, systematically covering all the major components of the Milky Way. This survey will provide the first homogeneous overview of the distributions of kinematics and chemical element abundances in the Galaxy. The motivation, organisation and implementation of the Gaia-ESO Survey are described, emphasising the complementarity with the ESA Gaia mission. Spectra from the very first observing run of the survey are presented.

  4. PESSTO spectroscopic classification of optical transients

    NASA Astrophysics Data System (ADS)

    Fraser, M.; Campbell, H.; Blagorodnova, N.; Walton, N.; De Cia, A.; Elias-Rosa, Nancy; Manulis, Ilan; Benetti, S.; Pastorello, A.; Kotak, R.; Inserra, C.; Smartt, S.; Smith, K.; Wright, D.; Young, D.; Sullivan, M.; Taubenberger, S.; Valenti, S.; Yaron, O.; Gal-Yam, A.; Knapic, C.; Smareglia, R.; Molinaro, M.; Manulis, Ilan; Burgett, W.; Chambers, K.; Huber, M.; Kudritzki, R. P.; Magnier, E.; Morgan, J.; Stubbs, C.; Sweeney, W.; Tonry, J.; Draper, C. Waters. P.; Metcalfe, N.; Rest, A.; Wyrzykowski, L.

    2014-02-01

    PESSTO, the Public ESO Spectroscopic Survey for Transient Objects (see Valenti et al., ATel #4037; http://www.pessto.org ), reports the following supernova classifications. Targets were supplied by the Pan-STARRS1 3Pi transients (see Smartt et al., ATel #5850), Catalina Real-time Transient Survey (http://crts.caltech.edu/), the OGLE-IV Transient Search (ATel #4495; Wyrzykowski et al. 2012), and the MASTER survey (http://observ.pereplet.ru) All observations were performed on the ESO New Technology Telescope at La Silla on 2014 Feb 19 UT, using EFOSC2 and Grism 13 (3985-9315A, 18A resolution).

  5. A phase-stepped spectroscopic ellipsometer

    NASA Astrophysics Data System (ADS)

    Watkins, Lionel R.

    2015-04-01

    We describe a spectroscopic ellipsometer which uses a white light source and a variable wave-plate to generate four phase-stepped intensities I(?) which are recorded by a small spectrometer. At each wavelength, the wave-plate produces a constant, but unknown phase step ?(?). Carré's algorithm is used to determine this unknown phase step at each wavelength which subsequently allows the ellipsometric angles ?(?) and ?(?) to found from the solution to a set of simple equations. We demonstrate our new instrument experimentally by measuring the retardation of an achromatic wave-plate and determining the thickness of a silicon dioxide film on a silicon substrate.

  6. The Spectroscopic study of {sup 33}Ar

    SciTech Connect

    Adimi, N. [Centre d'Etudes Nucleaires de Bordeaux Gradignan, Universite Bordeaux 1, UMR 5797 CNRS/IN2P3, Chemin du Solarium, BP 120, F-33175 Gradignan (France); Faculte de Physique, USTHB, B.P.32, El Alia, 16111 Bab Ezzouar, Alger (Algeria); Dominguez-Reyes, R.; Alcorta, M.; Borge, M. J. G.; Perea, A.; Tengblad, O. [Institutode Estructura de la Materia, CSIC, Serrano 113bis, E-28006-Madrid (Spain); Bey, A.; Blank, B.; Dossat, C.; Giovinazzo, J.; Matea, I. [Centre d'Etudes Nucleaires de Bordeaux Gradignan, Universite Bordeaux 1, UMR 5797 CNRS/IN2P3, Chemin du Solarium, BP 120, F-33175 Gradignan (France); Oliveira Santos, F. de; Madurga, M.; Thomas, J. C. [Grand Accelerateur National d'Ions Lourds, B.P. 55027, F-14076 Caen Cedex 05 (France); Fynbo, H. O. U.; Knudsen, H. H. [Department of Physics and Astronomy, University of Aarhus, Ny Munkegade 1520, DK-8000 Aarhus C (Denmark); Suemmerer, K. [Gesellschaft fuer Schwerionenforschung mbH, Planckstrasse 1, D-64291 Darmstadt (Germany)

    2011-10-28

    The proton-rich nucleus {sup 33}Ar has been produced at the low-energy facility SPIRAL at GANIL. Spectroscopic studies of gamma and p emission of this nucleus were performed with the 'Silicon Cube' detection system. The analysis of proton and gamma singles and coincidence spectra allowed us to establish a complete decay scheme of this nucleus. The comparison of the Gamow-Teller strength distribution deduced from our experiment and the theoretical one obtained with the Shell Model permitted the determination of a quenching factor for the Gamow-Teller strength.

  7. Vibrational spectroscopic studies of mesna and dimesna

    NASA Astrophysics Data System (ADS)

    Li, Ying-Sing; Wang, Yu; Church, Jeffrey S.; Garzena, Fabio; Zhang, Zanxing; An, Danqui

    2003-06-01

    Raman, and infrared spectra of mesna and dimesna have been collected in the present spectroscopic studies. Based on the group frequencies, relative intensities and Raman depolarization measurements, some vibrational assignments have been suggested. For both mesna and dimesna, at least two rotational conformers have been identified. Adsorption behavior was investigated from the recorded surface-enhanced Raman scattering (SERS) spectra. It was found that both mesna and dimesna adsorbed as thiolate on silver sol particles with the cleavage of the S?H bond in mesna and the S?S bond in dimesna. For the adsorbed thiolate, two conformers existed in the adsorption state.

  8. Face Recognition from One Example View

    E-print Network

    Beymer, David

    1995-09-01

    If we are provided a face database with only one example view per person, is it possible to recognize new views of them under a variety of different poses, especially views rotated in depth from the original example ...

  9. Pre-main sequence spectroscopic binaries suitable for VLTI observations

    NASA Astrophysics Data System (ADS)

    Guenther, E. W.; Esposito, M.; Mundt, R.; Covino, E.; Alcalá, J. M.; Cusano, F.; Stecklum, B.

    2007-06-01

    Context: A severe problem for research in star-formation is that the masses of young stars are almost always estimated from evolutionary tracks alone. Since the tracks published by different groups differ, it is often only possible to give a rough estimate of the masses of young stars. It is thus crucial to test and calibrate the tracks. Up to now, only a few tests of the tracks could be carried out. However, it is now possible with the VLTI to set constrains on the tracks by determining the masses of many young binary stars precisely. Aims: In order to use the VLTI efficiently, a first step is to find suitable targets, which is the purpose of this work. Given the distance of nearby star-forming regions, suitable VLTI targets are binaries with orbital periods between at least 50 days and a few years. Although a number of surveys for detecting spectroscopic binaries have been carried out, most of the binaries found so far have periods that are too short. Methods: We thus surveyed the Chamaeleon, Corona Australis, Lupus, Sco-Cen, and ? Ophiuci star-forming regions in order to search for spectroscopic binaries with periods longer than 50 days, which are suitable for the VLTI observations. Results: As a result of the 8 year campaign, we discovered 8 binaries with orbital periods longer than 50 days. Amongst the newly discovered long-period binaries is CS Cha, which is one of the few classical T Tauri stars with a circumbinary disk. The survey is limited to objects with masses higher than 0.1 to 0.2 M_? for periods between 1 and 8 years. Conclusions: We find that the frequency of binaries with orbital periods ?3000 days is of 20±5%. The frequency of long and short period pre-main sequence spectroscopic binaries is about the same as for stars in the solar neighbourhood. In total 14 young binaries are now known that are suitable for mass determination with the VLTI. based on observations obtained at the European Southern Observatory at La Silla, Chile in program 62.I-0418(A); 63.I-0096(A); 64.I-0294(A); 65.I-0012(A); 67.C-0155(A); 68.C-0292(A); 68.C-0561(A); 69.C-0207(A); 70.C-0163(A); 073.C-0355(A); 074.A-9018(A); 075.C-0399(A-F). Tables 2, 3, 5, 6, 8, 10, 12-20 are only available in electronic form at http://www.aanda.org

  10. Spectral Resolution Amelioration by Deconvolution (SPREAD) in MR Spectroscopic Imaging

    PubMed Central

    Dong, Zhengchao; Peterson, Bradley S.

    2009-01-01

    Purpose To develop, implement, and evaluate a novel post-processing method for enhancing the spectral resolution of in vivo Magnetic Resonance Spectroscopic Imaging (MRSI) data. Materials and Methods Magnetic field inhomogeneity across the imaging volume was determined by acquiring MRI datasets with two differing echo times. The lineshapes of the MRSI spectra were derived from these field maps by simulating an MRSI scan of a virtual sample whose resonance frequencies varied according to the observed variations in the magnetic field. By deconvolving the lineshapes from the measured MRSI spectra, the linebroadening effects of the field inhomogeneities were reduced significantly. Results Both phantom and in vivo proton MRSI spectra exhibited significantly enhanced spectral resolutions and improved spectral lineshapes following application of our method. Quantitative studies on a phantom show that, on average, the full width at half maximum of water peaks was reduced 42%, the full width at tenth maximum was reduced 38%, and the asymmetries of the peaks were reduced 86%. Conclusion Our method reduces the linebroadening and lineshape distortions caused by magnetic field inhomogeneities. It substantially improves the spectral resolution and lineshape of MRSI data. PMID:19472414

  11. EAGER: programming repetitive tasks by example

    Microsoft Academic Search

    Allen Cypher

    1991-01-01

    Eager is a Programming by Example system for the HyperCard environment. It constantly monitors the user's activities, and when it detects an iterative pattern, it writes a program to complete the iteration. Programming by Example systems create generalized programs from examples provided by the user. They are faced with the problem of how to display these abstract procedures. Eager utilizes

  12. The Work of Examples in Classroom Instruction

    ERIC Educational Resources Information Center

    Lee, Yo-An

    2004-01-01

    Providing examples is part of the daily routine that classroom teachers carry out in the course of their lessons, and yet we rarely examine how examples are produced and what kinds of work they do in the lively context of classroom interaction. The present study inquires into how instructional examples are portrayed in prior literature by…

  13. Chemical bonding and Mössbauer spectroscopic investigations on ternary polyphosphides AgSbP 14, [Ag 3Sn]P 7 and [Au 3Sn]P 7

    Microsoft Academic Search

    Richard Weihrich; Stefan Lange; Tom Nilges

    2009-01-01

    The present manuscript is dealing with chemical bonding and Mössbauer spectroscopic investigations on the coinage-metal polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7. Sb(III) has been identified in the HgPbP14-type compound AgSbP14 by Mössbauer spectroscopic experiments, representing the first P14-polyphosphide with the cation combination M+(Ag)\\/M?3+(Sb). A combined spectroscopic and theoretical approach using various methods is applied to semi-conducting [Ag3Sn]P7 and [Au3Sn]P7 to characterize

  14. Terrain Synthesis By-Example

    NASA Astrophysics Data System (ADS)

    Brosz, John; Samavati, Faramarz F.; Sousa, Mario Costa

    Synthesizing terrain or adding detail to terrains manually is a long and tedious process. With procedural synthesis methods this process is faster but more difficult to control. This paper presents a new technique of terrain synthesis that uses an existing terrain to synthesize new terrain. To do this we use multi-resolution analysis to extract the high-resolution details from existing models and apply them to increase the resolution of terrain. Our synthesized terrains are more heterogeneous than procedural results, are superior to terrains created by texture transfer, and retain the large-scale characteristics of the original terrain.

  15. Spectroscopic enhancement in nanoparticles embedded glasses

    SciTech Connect

    Sahar, M. R., E-mail: mrahim057@gmail.com; Ghoshal, S. K., E-mail: mrahim057@gmail.com [Advanced Optical Material Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, 81310, Skudai, Johor Bahru, Johor (Malaysia)

    2014-09-25

    This presentation provides an overview of the recent progress in the enhancement of the spectroscopic characteristics of the glass embedded with nanoparticles (NPs). Some of our research activities with few significantly new results are highlighted and facilely analyzed. The science and technology dealing with the manipulation of the physical properties of rare earth doped inorganic glasses by embedding metallic NPs or nanoclusters produce the so-called 'nanoglass'. Meanwhile, the spectroscopic enhancement relates the intensity of the luminescence measured at certain transition. The enhancement which expectedly due to the 'plasmonics wave' (referring to the coherent coupling of photons to free electron oscillations called plasmon) occurs at the interface between a conductor and a dielectric. Plasmonics being an emerging concept in advanced optical material of nanophotonics has given this material the ability to exploit the optical response at nanoscale and opened up a new avenue in metal-based glass optics. There is a vast array of plasmonic NPs concepts yet to be explored, with applications spanning solar cells, (bio) sensing, communications, lasers, solid-state lighting, waveguides, imaging, optical data transfer, display and even bio-medicine. Localized surface plasmon resonance (LSPR) can enhance the optical response of nanoglass by orders of magnitude as observed. The luminescence enhancement and surface enhanced Raman scattering (SERS) are new paradigm of research. The enhancement of luminescence due to the influence of metallic NPs is the recurring theme of this paper.

  16. Spectroscopic Analysis of Planetary Host Stars

    NASA Astrophysics Data System (ADS)

    Rittipruk, P.; Yushchenko, A.; Kang, Y. W.

    2014-08-01

    We observed the high resolution spectra of extra-solar planet host stars. The spectroscopic data of host stars were observed using the CHIRON echelle spectrometer and R-C Spectrograph for magnetic activity on the SMART-1.5 meter telescope at CTIO, Chile. The analysis of spectroscopic data was performed using URAN and SYNTHE programs. These spectra allow us to determine the effective temperatures, surface gravities, microturbulent velocities and, finally, the chemical composition of the hosts was obtained by spectrum synthesis. One of the targets, namely HD 47536, the host of two planets, appeared to be a halo star with overabundances of neutron capture elements. The effective temperature and the surface gravity of this star are 4400 K and log=1.5 respectively, the iron is underabundant by 0.6 dex. The heavy elements (up to thorium, Z=90) show the overabundances with respect to iron. The signs of accretion of interstellar gas are found in the atmosphere of this star.

  17. EPSILON AURIGAE: AN IMPROVED SPECTROSCOPIC ORBITAL SOLUTION

    SciTech Connect

    Stefanik, Robert P.; Torres, Guillermo; Lovegrove, Justin; Latham, David W.; Zajac, Joseph [Harvard-Smithsonian Center for Astrophysics (CfA), 60 Garden Street, Cambridge, MA 02138 (United States); Pera, Vivian E. [MIT Lincoln Laboratory, 244 Wood Street, Lexington, MA 02420 (United States); Mazeh, Tsevi [Wise Observatory, Tel Aviv University, Tel Aviv 69978 (Israel)], E-mail: rstefanik@cfa.harvard.edu

    2010-03-15

    A rare eclipse of the mysterious object {epsilon} Aurigae will occur in 2009-2011. We report an updated single-lined spectroscopic solution for the orbit of the primary star based on 20 years of monitoring at the CfA, combined with historical velocity observations dating back to 1897. There are 518 new CfA observations obtained between 1989 and 2009. Two solutions are presented. One uses the velocities outside the eclipse phases together with mid-times of previous eclipses, from photometry dating back to 1842, which provide the strongest constraint on the ephemeris. This yields a period of 9896.0 {+-} 1.6 days (27.0938 {+-} 0.0044 years) with a velocity semi-amplitude of 13.84 {+-} 0.23 km s{sup -1} and an eccentricity of 0.227 {+-} 0.011. The middle of the current ongoing eclipse predicted by this combined fit is JD 2,455,413.8 {+-} 4.8, corresponding to 2010 August 5. If we use only the radial velocities, we find that the predicted middle of the current eclipse is nine months earlier. This would imply that the gravitating companion is not the same as the eclipsing object. Alternatively, the purely spectroscopic solution may be biased by perturbations in the velocities due to the short-period oscillations of the supergiant.

  18. Spectroscopic enhancement in nanoparticles embedded glasses

    NASA Astrophysics Data System (ADS)

    Sahar, M. R.; Ghoshal, S. K.

    2014-09-01

    This presentation provides an overview of the recent progress in the enhancement of the spectroscopic characteristics of the glass embedded with nanoparticles (NPs). Some of our research activities with few significantly new results are highlighted and facilely analyzed. The science and technology dealing with the manipulation of the physical properties of rare earth doped inorganic glasses by embedding metallic NPs or nanoclusters produce the so-called 'nanoglass'. Meanwhile, the spectroscopic enhancement relates the intensity of the luminescence measured at certain transition. The enhancement which expectedly due to the 'plasmonics wave' (referring to the coherent coupling of photons to free electron oscillations called plasmon) occurs at the interface between a conductor and a dielectric. Plasmonics being an emerging concept in advanced optical material of nanophotonics has given this material the ability to exploit the optical response at nanoscale and opened up a new avenue in metal-based glass optics. There is a vast array of plasmonic NPs concepts yet to be explored, with applications spanning solar cells, (bio) sensing, communications, lasers, solid-state lighting, waveguides, imaging, optical data transfer, display and even bio-medicine. Localized surface plasmon resonance (LSPR) can enhance the optical response of nanoglass by orders of magnitude as observed. The luminescence enhancement and surface enhanced Raman scattering (SERS) are new paradigm of research. The enhancement of luminescence due to the influence of metallic NPs is the recurring theme of this paper.

  19. Spectroscopic Modeling of Single Element Plasma

    SciTech Connect

    Ghomeishi, Mostafa; Yap, S. L.; Wong, C. S.; Saboohi, S.; Chan, L. S. [Plasma Research Laboratory, Plasma Technology Research Center, Department of Physics, Faculty of Science, University of Malaya, 50603, Kuala Lumpur (Malaysia)

    2011-03-30

    A strategy for spectroscopic analysis of single element plasmas is through modeling. An experimental investigation or generation of a specified emission spectrum can be attempted based on the modeling results which are currently under investigating by many researchers in the world. In the emission spectroscopy, the K-shell emission is more interesting than emissions from other shells due to their unique EUV and SXR frequencies that can be applied in various scientific and industrial applications. Population information of our model is based on a steady state kinetic code which is calculated for a given electron temperature and an estimated electron density. Thus for each single element plasma it needs large amounts of experimental or theoretical database. Depending on the parameter of the plasma, theories based on local thermodynamic equilibrium (LTE) and non-LTE are considered. In the non-LTE case, the Corona model is used and the total absolute number densities are calculated based on the ion densities that are related to the electron density corresponds to the mean charge of the ions. The spectra generated by the model can then be compared with spectroscopic data obtained experimentally.

  20. Spectroscopic analysis technique for arc-welding process control

    NASA Astrophysics Data System (ADS)

    Mirapeix, Jesús; Cobo, Adolfo; Conde, Olga; Quintela, María Ángeles; López-Higuera, José-Miguel

    2005-09-01

    The spectroscopic analysis of the light emitted by thermal plasmas has found many applications, from chemical analysis to monitoring and control of industrial processes. Particularly, it has been demonstrated that the analysis of the thermal plasma generated during arc or laser welding can supply information about the process and, thus, about the quality of the weld. In some critical applications (e.g. the aerospace sector), an early, real-time detection of defects in the weld seam (oxidation, porosity, lack of penetration, ...) is highly desirable as it can reduce expensive non-destructive testing (NDT). Among others techniques, full spectroscopic analysis of the plasma emission is known to offer rich information about the process itself, but it is also very demanding in terms of real-time implementations. In this paper, we proposed a technique for the analysis of the plasma emission spectrum that is able to detect, in real-time, changes in the process parameters that could lead to the formation of defects in the weld seam. It is based on the estimation of the electronic temperature of the plasma through the analysis of the emission peaks from multiple atomic species. Unlike traditional techniques, which usually involve peak fitting to Voigt functions using the Levenberg-Marquardt recursive method, we employ the LPO (Linear Phase Operator) sub-pixel algorithm to accurately estimate the central wavelength of the peaks (allowing an automatic identification of each atomic species) and cubic-spline interpolation of the noisy data to obtain the intensity and width of the peaks. Experimental tests on TIG-welding using fiber-optic capture of light and a low-cost CCD-based spectrometer, show that some typical defects can be easily detected and identified with this technique, whose typical processing time for multiple peak analysis is less than 20msec. running in a conventional PC.

  1. Spectroscopic study of the open cluster NGC 6811

    NASA Astrophysics Data System (ADS)

    Molenda-?akowicz, J.; Brogaard, K.; Niemczura, E.; Bergemann, M.; Frasca, A.; Arentoft, T.; Grundahl, F.

    2014-12-01

    The NASA space telescope Kepler has provided unprecedented time series observations which have revolutionized the field of asteroseismology, i.e. the use of stellar oscillations to probe the interior of stars. The Kepler-data include observations of stars in open clusters, which are particularly interesting for asteroseismology. One of the clusters observed with Kepler is NGC 6811, which is the target of this paper. However, apart from high-precision time series observations, sounding the interiors of stars in open clusters by means of asteroseismology also requires accurate and precise atmospheric parameters as well as cluster membership indicators for the individual stars. We use medium-resolution (R ˜ 25 000) spectroscopic observations, and three independent analysis methods, to derive effective temperatures, surface gravities, metallicities, projected rotational velocities and radial velocities, for 15 stars in the field of the open cluster NGC 6811. We discover two double-lined and three single-lined spectroscopic binaries. Eight stars are classified as either certain or very probable cluster members, and three stars are classified as non-members. For four stars, cluster membership could not been assessed. Five of the observed stars are G-type giants which are located in the colour-magnitude diagram in the region of the red clump of the cluster. Two of these stars are surely identified as red clump stars for the first time. For those five stars, we provide chemical abundances of 31 elements. The mean radial velocity of NGC 6811 is found to be +6.68 ± 0.08 km s-1 and the mean metallicity and overall abundance pattern are shown to be very close to solar with an exception of Ba which we find to be overabundant.

  2. Application of a Probabilistic Neural Network in Radial Velocity Curve Analysis of the Spectroscopic Binary Stars ROXR1 14, RX J1622.7-2325Nw, RR Lyn, 12 Boo and HR 6169

    NASA Astrophysics Data System (ADS)

    Ghasemisalehabadi, Elahe

    Using measured radial velocity data of five double-lined spectroscopic binary systems ROXR1 14, RX J1622.7-2325Nw, RR Lyn, 12 Boo and HR 6169, we find corresponding orbital and spectroscopic elements via a Probabilistic Neural Network (PNN). Our numerical results are in good agreement with those obtained by others using more traditional methods.

  3. Spectroscopic analysis of pharmaceutical formulations through the use of chemometric tools

    NASA Astrophysics Data System (ADS)

    Ornelas-Soto, N.; Barbosa-García, O.; Meneses-Nava, M.; Ramos-Ortíz, G.; Pichardo-Molina, J.; Maldonado, J. L.; Contreras, U.; López-Martínez, L.; López-de-Alba, P.; López-Barajas, F.

    2009-09-01

    In this work, fast and reliable spectroscopic methods in combination with chemometric tools were developed for simultaneous determination of Acetylsalicylic Acid, Acetaminophen and Caffeine in commercial formulations. For the first-order multivariate calibration method (PLS-1), calibration and validation sets were constructed with 23 and 10 samples respectively according to a central composite design. The Micro-Raman, FTIR-HATR and UV absorption spectra in the region of 100-2000 cm-1, 400-4400 cm-1 and 200-350 nm, respectively, were recorded. The % REP's (Percentage of relative error of prediction) was less than 18 for all used spectroscopic techniques. Subsequently, commercial pharmaceutical samples were analyzed with percentage of recovery between 90 and 117% for the three compounds.

  4. THE APOKASC CATALOG: AN ASTEROSEISMIC AND SPECTROSCOPIC JOINT SURVEY OF TARGETS IN THE KEPLER FIELDS

    SciTech Connect

    Pinsonneault, Marc H.; Epstein, Courtney; Johnson, Jennifer A. [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); Elsworth, Yvonne; Chaplin, William J. [University of Birmingham, School of Physics and Astronomy, Edgbaston, Birmingham B15 2TT (United Kingdom); Hekker, Saskia; Silva Aguirre, Victor; Stello, Dennis [Stellar Astrophysics Centre, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Mészáros, Sz. [Astronomy Department, Indiana University, Bloomington, IN 47405 (United States); García, Rafael A.; Beck, Paul [Laboratoire AIM, CEA/DSM-CNRS—Université Denis Diderot-IRFU/SAp, F-91191 Gif-sur-Yvette Cedex (France); Holtzman, Jon [Department of Astronomy, MSC 4500, New Mexico State University, P.O. Box 30001, Las Cruces, NM 88003 (United States); Mathur, Savita [Space Science Institute, 4750 Walnut street, Suite 205, Boulder, CO 80301 (United States); García Pérez, Ana [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Girardi, Léo [Osservatorio Astronomico di Padova—INAF, Vicolo dell'Osservatorio 5, I-35122 Padova (Italy); Basu, Sarbani [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520-8101 (United States); Shetrone, Matthew [University of Texas at Austin, McDonald Observatory, 32 Fowlkes Road, TX 79734-3005 (United States); Allende Prieto, Carlos [Instituto de Astrofsica de Canarias (IAC), C/Va Lactea, s/n, E-38200 La Laguna, Tenerife (Spain); An, Deokkeun [Department of Science Education, Ewha Womans University, Seoul (Korea, Republic of); Beers, Timothy C., E-mail: pinsonneault.1@osu.edu [Department of Physics, University of Notre Dame, 225 Nieuwland Science Hall, Notre Dame, IN 46656 (United States); and others

    2015-01-01

    We present the first APOKASC catalog of spectroscopic and asteroseismic properties of 1916 red giants observed in the Kepler fields. The spectroscopic parameters provided from the Apache Point Observatory Galactic Evolution Experiment project are complemented with asteroseismic surface gravities, masses, radii, and mean densities determined by members of the Kepler Asteroseismology Science Consortium. We assess both random and systematic sources of error and include a discussion of sample selection for giants in the Kepler fields. Total uncertainties in the main catalog properties are of the order of 80 K in T {sub eff}, 0.06 dex in [M/H], 0.014 dex in log g, and 12% and 5% in mass and radius, respectively; these reflect a combination of systematic and random errors. Asteroseismic surface gravities are substantially more precise and accurate than spectroscopic ones, and we find good agreement between their mean values and the calibrated spectroscopic surface gravities. There are, however, systematic underlying trends with T {sub eff} and log g. Our effective temperature scale is between 0 and 200 K cooler than that expected from the infrared flux method, depending on the adopted extinction map, which provides evidence for a lower value on average than that inferred for the Kepler Input Catalog (KIC). We find a reasonable correspondence between the photometric KIC and spectroscopic APOKASC metallicity scales, with increased dispersion in KIC metallicities as the absolute metal abundance decreases, and offsets in T {sub eff} and log g consistent with those derived in the literature. We present mean fitting relations between APOKASC and KIC observables and discuss future prospects, strengths, and limitations of the catalog data.

  5. Analysis and optimization of thin film photovoltaic materials and device fabrication by real time spectroscopic ellipsometry

    Microsoft Academic Search

    Jian Li; Jason A. Stoke; Nikolas J. Podraza; Deepak Sainju; Anuja Parikh; Xinmin Cao; Himal Khatri; Nicolas Barreau; Sylvain Marsillac; Xunming Deng; Robert W. Collins

    2007-01-01

    Methods of spectroscopic ellipsometry (SE) have been applied to investigate the growth and properties of the material components used in the three major thin film photovoltaics technologies: (1) hydrogenated silicon (Si:H); (2) cadmium telluride (CdTe); and (3) copper indium-gallium diselenide (CuIn1-xGaxSe2 or CIGS). In Si:H technology, real time SE (RTSE) has been applied to establish deposition phase diagrams that describe

  6. Analytical and spectroscopic characterization of humic acids extracted from sewage sludge, manure, and worm compost

    Microsoft Academic Search

    S. Deiana; C. Gessa; B. Manunza; R. Seeber; R. Rausa

    1990-01-01

    Humic acids extracted from sewage sludges, manure, and worm compost have been characterized by chemical and spectroscopic methods. Meaningful differences in the composition were revealed by FTIR, ¹H, ¹³C NMR, and visible spectroscopies. These differences allow a differentiation among the products depending on the source from which they were obtained. Humic acid extracted from sewage sludges contains the highest percentage

  7. Interaction between aqueous uranium (VI) and sulfide minerals: Spectroscopic evidence for sorption and reduction

    Microsoft Academic Search

    Paul Wersin; Michael F. Hochella Jr.; Per Persson; George Redden; James O. Leckie; David W. Harris

    1994-01-01

    The interaction of aqueous U(VI) with galena and pyrite surfaces under anoxic conditions has been studied by solution analysis and by spectroscopic methods. The solution data indicate that uranyl uptake is strongly dependent on pH; maximum uptake (>98%) occurs above a pH range of between 4.8 and 5.5, depending on experimental conditions. Increasing the sorbate\\/sorbent ratio results in a relative

  8. Assessment of Three Spectroscopic Techniques for Rapid Estimation of Calcite in Copper Ore

    Microsoft Academic Search

    Pedro Escarate Monetta; Andrés R. Guesalaga; Valerio Rossi Albertini; Daniele Bailo

    2010-01-01

    This paper presents the assessment of three spectroscopic techniques, i.e., Raman spectroscopy (RS), ultraviolet fluorescence (UVF) spectroscopy, and energy-dispersive X-ray diffraction (ED-XRD), for measuring calcite (CaCO3) concentration in copper ore. The results for the three methods are compared in terms of their correlation coefficient R2 and prediction error (root-mean-square error of prediction, RMSEP). These approaches substantially shorten the measurement time

  9. The prediction of spectroscopic properties from quartic correlated force fields - HCCF, HFCO, SiH3(+)

    Microsoft Academic Search

    William H. Green; Dylan Jayatilaka; Andrew Willetts; Roger D. Amos; Nicholas C. Handy

    1990-01-01

    The harmonic and anharmonic IR spectroscopic properties of the HCCF, HFCO, and SiH3(+) molecules are determined by means of ab initio quantum-chemistry calculations using the computer program SPECTRO (Gaw et al., 1990). The derivation of the quartic force fields in second-order Moller-Plesset theory is explained; the application of the method to the three molecules investigated is discussed; and the results

  10. VizieR Online Data Catalog: Spectroscopically Identified Hot Subdwarf Stars (Kilkenny+ 1988)

    NASA Astrophysics Data System (ADS)

    Kilkenny, D.; Heber, U.; Drilling, J. S.

    1996-05-01

    Prior to 1986 there were around 200 spectroscopically classified hot subdwarf stars. The Palomar-Green survey (Green et al., 1986ApJS...61..305G) detected over 900 hot subdwarfs, mostly in the North Galactic Cap and mostly previously unknown objects; the Kitt-Peak_Downes survey found another 60 near the Galactic Plane (Downes, 1986ApJS...61..569D). These form the basis of the present catalog but new subdwarfs are continually being found by spectroscopic surveys of photographically discovered faint blue star samples; examples are the work of Wegner and his co-workers on the Kiso survey (Wegner et al., 1985AJ.....90.1511W, 1986AJ.....91..139W, 1987AJ.....94.1271W) and of Kilkenny and Muller (1987) on southern discoveries by Luyten and collaborators (e.g. Haro and Luyten, 1962, Cat. III/74; Luyten and Anderson, 1958, 1959, 1967, "A Search for Faint Blue Stars"). Only stars for which a spectroscopic classification exists have been included. There is a significant probability that stars with only photometric classifications can be normal high-latitude B stars, white dwarfs or cataclysmic variable, for example. Hot subdwarfs in binary systems have been included but not planetary nebulae nuclei classified 'sd' since the latter have been catalogued elsewhere. Although there is not a universally accepted classification scheme for hot subdwarfs, it is fairly clear that the main criterion is a surface gravity higher than that of hot main sequence stars but less than that of hot white dwarfs. Also, hot subdwarf stars typically show helium abundance anomalies. (2 data files).

  11. Resolving Spectral Lines with a Periscope-Type DVD Spectroscope

    ERIC Educational Resources Information Center

    Wakabayashi, Fumitaka

    2008-01-01

    A new type of DVD spectroscope, the periscope type, is described and the numerical analysis of the observed emission and absorption spectra is demonstrated. A small and thin mirror is put inside and an eighth part of a DVD is used as a grating. Using this improved DVD spectroscope, one can observe and photograph visible spectra more easily and…

  12. Extreme conditions during multibubble cavitation: Sonoluminescence as a spectroscopic probe

    E-print Network

    Suslick, Kenneth S.

    Extreme conditions during multibubble cavitation: Sonoluminescence as a spectroscopic probe Kenneth Cavitation MBSL Plasma a b s t r a c t We review recent work on the use of sonoluminescence (SL) to probe spectroscopically the conditions created during cavitation, both in clouds of collapsing bubbles (multibubble

  13. Asymptotic normalization coefficients and spectroscopic factors from deuteron stripping reactions

    NASA Astrophysics Data System (ADS)

    Pang, D. Y.; Mukhamedzhanov, A. M.

    2014-10-01

    We present the analysis of three deuteron stripping reactions, C14(d,p)C15,Ni58(d,p)Ni59, and Sn116(d,p)Sn117 using the combined method [A. M. Mukhamedzhanov and F. M. Nunes, Phys. Rev. C 72, 017602 (2005), 10.1103/PhysRevC.72.017602], in which each reaction is analyzed at low and significantly higher energies. At low energies all these reactions are peripheral and the experimental asymptotic normalization coefficients (ANCs) are determined with accuracy about 10%. At higher energies we determine the spectroscopic factors (SFs) by fixing the normalization of the peripheral parts of the reaction amplitudes governed by the ANCs found from the low-energy data. The combined method imposes a strict limitation on the variation of the geometrical parameters of the single-particle potential, which can be arbitrarily taken in the standard approach. By checking the compatibility of the ANCs and SFs using the combined method we reveal the flaw in the contemporary nuclear reaction theory in treating the nuclear interior, which is the most crucial part in the determination of the SFs.

  14. Dual-probe spectroscopic fingerprints of defects in graphene

    NASA Astrophysics Data System (ADS)

    Settnes, Mikkel; Power, Stephen R.; Petersen, Dirch H.; Jauho, Antti-Pekka

    2014-07-01

    Recent advances in experimental techniques emphasize the usefulness of multiple scanning probe techniques when analyzing nanoscale samples. Here, we analyze theoretically dual-probe setups with probe separations in the nanometer range, i.e., in a regime where quantum coherence effects can be observed at low temperatures. In a dual-probe setup the electrons are injected at one probe and collected at the other. The measured conductance reflects the local transport properties on the nanoscale, thereby yielding information complementary to that obtained with a standard one-probe setup (the local density of states). In this work we develop a real-space Green's function method to compute the conductance. This requires an extension of the standard calculation schemes, which typically address a finite sample between the probes. In contrast, the developed method makes no assumption of the sample size (e.g., an extended graphene sheet). Applying this method, we study the transport anisotropies in pristine graphene sheets, and analyze the spectroscopic fingerprints arising from quantum interference around single-site defects, such as vacancies and adatoms. Furthermore, we demonstrate that the dual-probe setup is a useful tool for characterizing the electronic transport properties of extended defects or designed nanostructures. In particular, we show that nanoscale perforations, or antidots, in a graphene sheet display Fano-type resonances with a strong dependence on the edge geometry of the perforation.

  15. Spectroscopic analysis of cinnamic acid using quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Vinod, K. S.; Periandy, S.; Govindarajan, M.

    2015-02-01

    In this present study, FT-IR, FT-Raman, 13C NMR and 1H NMR spectra for cinnamic acid have been recorded for the vibrational and spectroscopic analysis. The observed fundamental frequencies (IR and Raman) were assigned according to their distinctiveness region. The computed frequencies and optimized parameters have been calculated by using HF and DFT (B3LYP) methods and the corresponding results are tabulated. On the basis of the comparison between computed and experimental results assignments of the fundamental vibrational modes are examined. A study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by HF and DFT methods. The alternation of the vibration pattern of the pedestal molecule related to the substitutions was analyzed. The 13C and 1H NMR spectra have been recorded and the chemical shifts have been calculated using the gauge independent atomic orbital (GIAO) method. The Mulliken charges, UV spectral analysis and HOMO-LUMO analysis of have been calculated and reported. The molecular electrostatic potential (MEP) was constructed.

  16. Active learning in the presence of unlabelable examples

    NASA Technical Reports Server (NTRS)

    Mazzoni, Dominic; Wagstaff, Kiri

    2004-01-01

    We propose a new active learning framework where the expert labeler is allowed to decline to label any example. This may be necessary because the true label is unknown or because the example belongs to a class that is not part of the real training problem. We show that within this framework, popular active learning algorithms (such as Simple) may perform worse than random selection because they make so many queries to the unlabelable class. We present a method by which any active learning algorithm can be modified to avoid unlabelable examples by training a second classifier to distinguish between the labelable and unlabelable classes. We also demonstrate the effectiveness of the method on two benchmark data sets and a real-world problem.

  17. Solving complex photocycle kinetics. Theory and direct method.

    PubMed Central

    Nagle, J F

    1991-01-01

    A direct nonlinear least squares method is described that obtains the true kinetic rate constants and the temperature-independent spectra of n intermediates from spectroscopic data taken in the visible at three or more temperatures. A theoretical analysis, which is independent of implementation of the direct method, proves that well determined local solutions are not possible for fewer than three temperatures. This analysis also proves that measurements at more than n wavelengths are redundant, although the direct method indicates that convergence is faster if n + m wavelengths are measured, where m is of order one. This suggests that measurements should concentrate on high precision for a few measuring wavelengths, rather than lower precision for many wavelengths. Globally, false solutions occur, and the ability to reject these depends upon the precision of the data, as shown by explicit example. An optimized way to analyze vibrational spectroscopic data is also presented. Such data yield unique results, which are comparably accurate to those obtained from data taken in the visible with comparable noise. It is discussed how use of both kinds of data is advantageous if the data taken in the visible are significantly less noisy. PMID:2009362

  18. Spectroscopic Binaries Among ? Bootis-type Stars

    NASA Astrophysics Data System (ADS)

    Paunzen, Ernst; Fraga, Luciano; Heiter, Ulrike; Iliev, Ilian Kh.; Kamp, Inga; Pintado, Olga

    2012-04-01

    The small group of ? Bootis stars comprises late B to early F-type stars, with moderate to extreme (up to a factor 100) surface under-abundances of most Fe-peak elements and solar abundances of lighter elements (C, N, O, and S). The main mechanisms responsible for this phenomenon are atmospheric diffusion, meridional mixing, and accretion of material from their surroundings. Especially spectroscopic binary (SB) systems with ? Bootis-type components are very important to investigate the evolutionary status and accretion process in more details. Because also ? Scuti type pulsation was found for several members, it gives the opportunity to use the tools of astroseismology for further investigations. We present the results of our long term efforts of detailed abundance analysis, orbital parameter estimation and photometric time series analysis for five well investigated SB systems.

  19. The first spectroscopic observation of germanium carbide

    NASA Astrophysics Data System (ADS)

    Ruiz, Jose I.

    Electronic spectroscopy was used to obtain gas phase spectrum of the germanium carbide molecule in emission from a corona excited supersonic expansion source. The (2) 3pi -- X 3pi electronic transition was observed around the 21250 cm-1 region. In this system, vibrational bands and the rotational lines of the O = 0, 1, and 2 components were obtained and analyzed. The equilibrium transition energy is found at 21120.3 cm-1 and the fundamental vibrational frequency for the lowest energy ground state O = 2 component is 795.3 cm -1. This is the first spectroscopic observation of germanium carbide. An unsuccessful attempt to obtain the first electronic emission spectrum of aluminum boride is also described.

  20. Qualitative spectroscopic study of magnetic nozzle flow

    NASA Technical Reports Server (NTRS)

    Umeki, T.; Turchi, P. J.

    1992-01-01

    The physics of the magnetic nozzle flow for a 100-kW-level quasi-steady MPD thruster was studied by photographic spectroscopy focusing on the plasma model in the flow and the acceleration mechanism. Spectroscopic visualization for the flow-species analysis indicates that the plasma-exhaust flow dominated by NII species were confined by the magnetic nozzle effect to collimate the flow for the better thruster performance. Inside the nozzle, the plasma flow was found to be in nonhomogeneous collisional-radiative condition. There appears to be a substantial flow acceleration from the magnetic nozzle inlet to the outlet with slight expansion. This suggests that the flow resembles that of constant area supersonic duct flow with cooling.

  1. Spectroscopic Needs for Imaging Dark Energy Experiments

    DOE PAGESBeta

    Newman, Jeffrey A.; Slosar, Anze; Abate, Alexandra; Abdalla, Filipe B.; Allam, Sahar; Allen, Steven W.; Ansari, Reza; Bailey, Stephen; Barkhouse, Wayne A.; Beers, Timothy C.; et al

    2015-03-01

    Ongoing and near-future imaging-based dark energy experiments are critically dependent upon photometric redshifts (a.k.a. photo-z’s): i.e., estimates of the redshifts of objects based only on flux information obtained through broad filters. Higher-quality, lower-scatter photo-z’s will result in smaller random errors on cosmological parameters; while systematic errors in photometric redshift estimates, if not constrained, may dominate all other uncertainties from these experiments. The desired optimization and calibration is dependent upon spectroscopic measurements for secure redshift information; this is the key application of galaxy spectroscopy for imaging-based dark energy experiments. Hence, to achieve their full potential, imaging-based experiments will require large setsmore »of objects with spectroscopically-determined redshifts, for two purposes: Training: Objects with known redshift are needed to map out the relationship between object color and z (or, equivalently, to determine empirically-calibrated templates describing the rest-frame spectra of the full range of galaxies, which may be used to predict the color-z relation). The ultimate goal of training is to minimize each moment of the distribution of differences between photometric redshift estimates and the true redshifts of objects, making the relationship between them as tight as possible. The larger and more complete our “training set” of spectroscopic redshifts is, the smaller the RMS photo-z errors should be, increasing the constraining power of imaging experiments; Requirements: Spectroscopic redshift measurements for ~30,000 objects over >~15 widely-separated regions, each at least ~20 arcmin in diameter, and reaching the faintest objects used in a given experiment, will likely be necessary if photometric redshifts are to be trained and calibrated with conventional techniques. Larger, more complete samples (i.e., with longer exposure times) can improve photo-z algorithms and reduce scatter further, enhancing the science return from planned experiments greatly (increasing the Dark Energy Task Force figure of merit by up to ~50%); Options: This spectroscopy will most efficiently be done by covering as much of the optical and near-infrared spectrum as possible at modestly high spectral resolution (?/?? > ~3000), while maximizing the telescope collecting area, field of view on the sky, and multiplexing of simultaneous spectra. The most efficient instrument for this would likely be either the proposed GMACS/MANIFEST spectrograph for the Giant Magellan Telescope or the OPTIMOS spectrograph for the European Extremely Large Telescope, depending on actual properties when built. The PFS spectrograph at Subaru would be next best and available considerably earlier, c. 2018; the proposed ngCFHT and SSST telescopes would have similar capabilities but start later. Other key options, in order of increasing total time required, are the WFOS spectrograph at TMT, MOONS at the VLT, and DESI at the Mayall 4 m telescope (or the similar 4MOST and WEAVE projects); of these, only DESI, MOONS, and PFS are expected to be available before 2020. Table 2-3 of this white paper summarizes the observation time required at each facility for strawman training samples. To attain secure redshift measurements for a high fraction of targeted objects and cover the full redshift span of future experiments, additional near-infrared spectroscopy will also be required; this is best done from space, particularly with WFIRST-2.4 and JWST; Calibration: The first several moments of redshift distributions (the mean, RMS redshift dispersion, etc.), must be known to high accuracy for cosmological constraints not to be systematics-dominated (equivalently, the moments of the distribution of differences between photometric and true redshifts could be determined instead). The ultimate goal of calibration is to characterize these moments for every subsample used in analyses - i.e., to minimize the uncertainty in their mean redshift, RMS dispersion, etc. – rather than to make the m

  2. Parallel detecting, spectroscopic ellipsometers/polarimeters

    DOEpatents

    Furtak, Thomas E. (15927 W. Ellsworth, Golden, CO 80401)

    2002-01-01

    The parallel detecting spectroscopic ellipsometer/polarimeter sensor has no moving parts and operates in real-time for in-situ monitoring of the thin film surface properties of a sample within a processing chamber. It includes a multi-spectral source of radiation for producing a collimated beam of radiation directed towards the surface of the sample through a polarizer. The thus polarized collimated beam of radiation impacts and is reflected from the surface of the sample, thereby changing its polarization state due to the intrinsic material properties of the sample. The light reflected from the sample is separated into four separate polarized filtered beams, each having individual spectral intensities. Data about said four individual spectral intensities is collected within the processing chamber, and is transmitted into one or more spectrometers. The data of all four individual spectral intensities is then analyzed using transformation algorithms, in real-time.

  3. Spectroscopic Needs for Imaging Dark Energy Experiments

    DOE PAGESBeta

    Newman, Jeffrey A. [Univ. of Pittsburgh and PITT PACC, PA (United States). Dept of Physics and Astronomy; Slosar, Anze [Brookhaven National Laboratory (BNL), Upton, NY (United States); Abate, Alexandra [Univ. of Arizona, Tucson, AZ (United States); Abdalla, Filipe B. [Univ. College London (United Kingdom); Allam, Sahar [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Allen, Steven W. [SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Ansari, Reza [LAL Univ. Paris-Sud, Orsay (France); Bailey, Stephen [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Barkhouse, Wayne A. [Univ. of North Dakota, Grand Forks, ND (United States); Beers, Timothy C. [National Optical Astronomy Observations, Tucson, AZ (United States); Blanton, Michael R. [New York Univ., NY (United States); Brodwin, Mark [Univ. of Missouri at Kansas City, Kansas City, MO (United States); Brownstein, Joel R. [Univ. of Utah, Salt Lake City, UT (United States); Brunner, Robert J. [Illinois Univ., Urbana, IL (United States); Carrasco-Kind, Matias [Illinois Univ., Urbana, IL (United States); Cervantes-Cota, Jorge [Inst. Nacional de Investigaciones Nucleares (ININ), Escandon (Mexico); Chisari, Nora Elisa [Princeton Univ., Princeton, NJ (United States); Colless, Matthew [Australian National Univ., Canberra (Australia). Research School of Astronomy and Astrophysics; Comparat, Johan [Campus of International Excellence UAM and CSIC, Madrid (Spain); Coupon, Jean [Univ. of Geneva (Switzerland). Astronomical Observatory; Cheu, Elliott [Univ. of Arizona, Tucson, AZ (United States); Cunha, Carlos E. [Stanford Univ., Stanford, CA (United States). Kavli Inst. for Particle Astrophysics and Cosmology; de la Macorra, Alex [UNAM, Mexico City (Mexico). Dept. de Fisica Teorica and Inst. Avanzado de Cosmologia; Dell’Antonio, Ian P. [Brown Univ., Providence, RI (United States); Frye, Brenda L. [Univ. of Arizona, Tucson, AZ (United States); Gawiser, Eric J. [State Univ. of New Jersey, Piscataway, NJ (United States); Gehrels, Neil [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States); Grady, Kevin [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States); Hagen, Alex [Penn State Univ., University Park, PA (United States); Hall, Patrick B. [York Univ., Toronto, ON (Canada); Hearin, Andrew P. [Yale Univ., New Haven, CT (United States); Hildebrandt, Hendrik [Argelander-Inst. fuer Astronomie, Bonn (Germany); Hirata, Christopher M. [Ohio State Univ., Columbus, OH (United States); Ho, Shirley [Carnegie Mellon Univ., Pittsburgh, PA (United States). McWilliams Center for Cosmology; Honscheid, Klaus [Ohio State Univ., Columbus, OH (United States); Huterer, Dragan [Univ. of Michigan, Ann Arbor, MI (United States); Ivezic, Zeljko [Univ. of Washington, Seattle, WA (United States); Kneib, Jean -Paul [Laboratoire d'Astrophysique, Ecole Polytechnique Federale de Lausanne (EPFL) (Swizerland); Laboratoire d'Astrophysique de Marseille (France); Kruk, Jeffrey W. [NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States); Lahav, Ofer [Univ. College London, Bloomsbury (United Kingdom); Mandelbaum, Rachel [Carnegie Mellon Univ., Pittsburgh, PA (United States). McWilliams Center for Cosmology; Marshall, Jennifer L. [Texas A and M Univ., College Station, TX (United States); Matthews, Daniel J. [Univ. of Pittsburgh and PITT PACC, PA (United States). Dept of Physics and Astronomy; Menard, Brice [Johns Hopkins Univ., Baltimore, MD (United States); Miquel, Ramon [Univ. Autonoma de Barcelona (Spain). Inst. de Fisica d'Altes Energies (IFAE); Moniez, Marc [Univ. Paris-Sud, Orsay (France); Moos, H. W. [Johns Hopkins Univ., Baltimore, MD (United States); Moustakas, John [Siena College, Loudonville, NY (United States); Papovich, Casey [Texas A and M Univ., College Station, TX (United States); Peacock, John A. [Univ. of Edinburgh (United Kingdom). Inst. for Astronomy, Royal Observatory; Park, Changbom [Korea Inst. for Advanced Study, Seoul (Korea, Republic of); Rhodes, Jason [Jet Propulsion Lab./Caltech, Pasadena, CA (United States)

    2015-03-01

    Ongoing and near-future imaging-based dark energy experiments are critically dependent upon photometric redshifts (a.k.a. photo-z’s): i.e., estimates of the redshifts of objects based only on flux information obtained through broad filters. Higher-quality, lower-scatter photo-z’s will result in smaller random errors on cosmological parameters; while systematic errors in photometric redshift estimates, if not constrained, may dominate all other uncertainties from these experiments. The desired optimization and calibration is dependent upon spectroscopic measurements for secure redshift information; this is the key application of galaxy spectroscopy for imaging-based dark energy experiments. Hence, to achieve their full potential, imaging-based experiments will require large sets of objects with spectroscopically-determined redshifts, for two purposes: Training: Objects with known redshift are needed to map out the relationship between object color and z (or, equivalently, to determine empirically-calibrated templates describing the rest-frame spectra of the full range of galaxies, which may be used to predict the color-z relation). The ultimate goal of training is to minimize each moment of the distribution of differences between photometric redshift estimates and the true redshifts of objects, making the relationship between them as tight as possible. The larger and more complete our “training set” of spectroscopic redshifts is, the smaller the RMS photo-z errors should be, increasing the constraining power of imaging experiments; Requirements: Spectroscopic redshift measurements for ~30,000 objects over >~15 widely-separated regions, each at least ~20 arcmin in diameter, and reaching the faintest objects used in a given experiment, will likely be necessary if photometric redshifts are to be trained and calibrated with conventional techniques. Larger, more complete samples (i.e., with longer exposure times) can improve photo-z algorithms and reduce scatter further, enhancing the science return from planned experiments greatly (increasing the Dark Energy Task Force figure of merit by up to ~50%); Options: This spectroscopy will most efficiently be done by covering as much of the optical and near-infrared spectrum as possible at modestly high spectral resolution (?/?? > ~3000), while maximizing the telescope collecting area, field of view on the sky, and multiplexing of simultaneous spectra. The most efficient instrument for this would likely be either the proposed GMACS/MANIFEST spectrograph for the Giant Magellan Telescope or the OPTIMOS spectrograph for the European Extremely Large Telescope, depending on actual properties when built. The PFS spectrograph at Subaru would be next best and available considerably earlier, c. 2018; the proposed ngCFHT and SSST telescopes would have similar capabilities but start later. Other key options, in order of increasing total time required, are the WFOS spectrograph at TMT, MOONS at the VLT, and DESI at the Mayall 4 m telescope (or the similar 4MOST and WEAVE projects); of these, only DESI, MOONS, and PFS are expected to be available before 2020. Table 2-3 of this white paper summarizes the observation time required at each facility for strawman training samples. To attain secure redshift measurements for a high fraction of targeted objects and cover the full redshift span of future experiments, additional near-infrared spectroscopy will also be required; this is best done from space, particularly with WFIRST-2.4 and JWST; Calibration: The first several moments of redshift distributions (the mean, RMS redshift dispersion, etc.), must be known to high accuracy for cosmological constraints not to be systematics-dominated (equivalently, the moments of the distribution of differences between photometric and true redshifts could be determined instead). The ultimate goal of calibration is to characterize these moments for every subsample used in analyses - i.e., to minimize the uncertainty in their mean redshift, RMS dispersion, etc. – rather than to make the moments themselve

  4. Spectroscopic Observations of Very Young Asteroid Families

    NASA Astrophysics Data System (ADS)

    Nesvorny, David; Mothe-Diniz, Thais; Chapman, Clark

    2007-08-01

    Recent discoveries (Nesvorny et al. 2006, Nesvorny & Vokrouhlicky 2006) present a new, stunning opportunity to address some fundamental issues in planetary science, including the rates of processes that physically affect asteroids. The discovery, which we propose to exploit, is a robust, dynamical dating of the formation of asteroid families. Specifically, Nesvorny et al. (2006) and Nesvorny & Vokrouhlicky (2006) identified four new families with ages between 50 and 600 ky. The Datura, Emilkowalski, 1992YC2, and Lucascavin clusters are 450+/-50 thousand years (ky), 220+/-30 ky, 50-250 ky, and 200-600 ky old, respectively. They are the most recent asteroid breakups ever discovered in the main belt. Here, we propose spectroscopic observations of members of these 4 special asteroid families. Our goal is to search for both predicted and serendipitous indications of youthfulness of these asteroids by obtaining observations that enable us to contrast them with similar data previously published for normal, older main belt asteroids.

  5. Terahertz broadband spectroscopic investigations of amino acid

    NASA Astrophysics Data System (ADS)

    Zhu, De-chong; Zhang, Liang-liang; Zhong, Hua; Zhang, Cun-lin

    2011-08-01

    We present an experimental terahertz (THz) spectroscopic investigation of amino acid using an air-breakdown-coherent detection (ABCD) system. The strong and ultra-broadband (0.1 to 10THz) terahertz radiations generated by two-color laser induced air plasma and measured by coherent heterodyne detection. The broadband THz reflection spectra of L-Lysine (C6H14N2O2) and L-Arginine (C6H14N2O2) are obtained. To solve the phase-retrieval problem in RTDS, the absorption signatures of the materials are extracted directly from the first derivative of the relative reflectance with respect to frequency. The absorption features of the two amino acids are characterized in the 0.5~6 THz region. It is found that both the two amino acids have an absorption peak at 1.10 THz.

  6. Idea Bank: A 50-Cent Analytical Spectroscope

    NSDL National Science Digital Library

    John Frassinelli

    2007-03-01

    "How do we know all that we know about the stars, since they are so far away and no one from Earth has ever visited them?" A fair question to be sure. While astronomers believe they have decent estimates of the mass, temperature, size, and composition of "nearby" stars, it can boggle the student mind to think of how this type of distant science is even possible. The activity described here will not fully answer the question, but it should give students an insight into this process. In keeping with the Benchmark, "Understanding the Nature of Scientific Inquiry," students can use a 50-cent analytical spectroscope to gather, analyze, and interpret scientific data (Kendall and Marzano1996).

  7. Laser-spectroscopic measurement techniques for hypersonic, turbulent wind tunnel flows

    NASA Technical Reports Server (NTRS)

    Mckenzie, Robert L.; Fletcher, Douglas G.

    1992-01-01

    A review is given of the nature, present status, and capabilities of two laser spectroscopic methods for the simultaneous measurement of temperature, density, and their fluctuations owing to turbulence in high speed wind tunnel flows. One method is based on the two frequency excitation of nitric oxide seeded into a nitrogen flow, using tunable dye lasers. The second, more recent method relies on the excitation of oxygen in air flows using a tunable, ArF excimer laser. Signal are obtained from both the laser induced fluorescence and from Raman scattering of the same laser pulse. Measurements are demonstrated in the turbulent boundary layer of a Mach-2 channel flow.

  8. Selection of Relevant Features and Examples in Machine Learning

    Microsoft Academic Search

    Avrim L. Blum; Pat Langley

    1997-01-01

    In this survey, we review work in machine learning on methods for handling data sets containinglarge amounts of irrelevant information. We focus on two key issues: the problem of selectingrelevant features, and the problem of selecting relevant examples. We describe the advances thathave been made on these topics in both empirical and theoretical work in machine learning, andwe present a

  9. Evolutionary Learning of Graph Layout Constraints from Examples

    E-print Network

    Fernandez, Thomas

    Evolutionary Learning of Graph Layout Constraints from Examples Toshiyuki MASUI Software Research to an automatic graph lay- out system. Using stochastic methods such as simulated annealing and genetic algorithms function for laying out graphs. The same technique can be used for a wide range of adaptive user interface

  10. Worked Examples in Teaching Queries for Searching Academic Databases

    ERIC Educational Resources Information Center

    Kickham-Samy, Mary

    2013-01-01

    The worked-example effect, an application of cognitive load theory, is a well-supported method of instruction for well-structured problems (Chandler and Sweller, 1991; Cooper and Sweller, 1987; Sweller and Cooper, 1985; Tuovinen & Sweller, 1999; Ward and Sweller, 1990). One limitation is expertise-reversal effect, where advanced students…

  11. Some practical examples of cavitation erosion and their prevention

    NASA Technical Reports Server (NTRS)

    Conn, A. F.

    1974-01-01

    The problem of failures caused by cavitation erosion are discussed. The concepts of intensity of erosion, erosion strength, and the time dependence of erosion rate are analyzed. The relation of these parameters to system variables such as pressure and velocity, and to the properties of materials are investigated. Using several examples of actual cavitation erosion, methods of prevention and their limitations are examined.

  12. The challenge of environmental monitoring: the example of HNV farmland

    Microsoft Academic Search

    Zelie Peppiette

    2011-01-01

    Assessment of the environmental outcomes associated with agricultural and rural policy is becoming increasingly important. The High Nature Value (HNV) Farmland indicator included within the EU's Common Monitoring and Evaluation Framework for rural development is taken as an example of the parameters used for environmental monitoring. The different methods used across the EU to estimate the extent and condition of

  13. Training Models of Shape from Sets of Examples

    Microsoft Academic Search

    D. H. Cooper; J. Graham

    1992-01-01

    A method for building flexible shape models is presented in which a shape is represented by a set of labelled points. The technique determines the statistics of the points over a collection of example shapes. The mean positions of the points give an average shape and a number of modes of variation are deter- mined describing the main ways in

  14. Are your Spectroscopic Data being used?

    NASA Astrophysics Data System (ADS)

    Gordon, Iouli E.; Rothman, Laurence S.; Wilzewski, Jonas S.

    2014-06-01

    Spectroscopy is an established and indispensable tool in science, industry, agriculture, medicine, surveillance, etc.. The potential user of spectral data which is not available in HITRAN1 or other databases, searches the spectroscopy publications. After finding the desired publication, the user very often encounters the following problems: 1) They cannot find the data described in the paper. There can be many reasons for this: nothing is provided in the paper itself or supplementary material; the authors are not responding to any requests; the web links provided in the paper have long been broken, etc.. 2) The data is presented in a reduced form, for instance through the fitted spectroscopic constants. While this is a long-standing practice among spectroscopists, there are numerous serious problems with this practice, such as users getting different energy and intensity values because of different representations of the solution to the Hamiltonian, or even just despairing of trying to generate usable line lists from the published constants. Properly providing the data benefits not only users but also the authors of the spectroscopic research. We will show that this increases citations to the spectroscopy papers and visibility of the research groups. We will also address the quite common issue when researchers obtain the data, but do not feel that they have time, interest or resources to write an article describing it. There are modern tools that allow one to make these data available to potential users and still get credit for it. However, this is a worst case scenario recommendation, i.e., publishing the data in a peer-reviewed journal is still the preferred way.

  15. Spectroscopic detection of chemotherapeutics and antioxidants

    NASA Astrophysics Data System (ADS)

    Latka, Ines; Grüner, Roman; Matthäus, Christian; Dietzek, Benjamin; Werncke, W.; Lademann, Jürgen; Popp, Jürgen

    2012-06-01

    The hand-foot-syndrome presents a severe dermal side-effect of chemotherapeutic cancer treatment. The cause of this side-effect is the elimination of systemically administered chemotherapeutics with the sweat. Transported to the skin surface, the drugs subsequently penetrate into the skin in the manner of topically applied substances. Upon accumulation of the chemotherapeutics in the skin the drugs destroy cells and tissue - in the same way as they are supposed to act in cancer cells. Aiming at the development of strategies to illuminate the molecular mechanism underlying the handfoot- syndrome (and, in a second step, strategies to prevent this severe side-effect), it might be important to evaluate the concentration and distribution of chemotherapeutics and antioxidants in the human skin. The latter can be estimated by the carotenoid concentration, as carotenoids serve as marker substances for the dermal antioxidative status.Following the objectives outlined above, this contribution presents a spectroscopic study aiming at the detection and quantification of carotenoids and selected chemotherapeutics in human skin. To this end, spontaneous Raman scattering and coherent anti-Stokes Raman scattering (CARS) microspectroscopy are combined with two-photon excited fluorescence. While the latter technique is Please verify that (1) all pages are present, (2) all figures are correct, (3) all fonts and special characters are correct, and (4) all text and figures fit within the red margin lines shown on this review document. Complete formatting information is available at http://SPIE.org/manuscripts Return to your MySPIE To Do List at http://myspie.org and approve or disapprove this submission. Your manuscript will not be published without this approval.restricted to the detection of fluorescent chemotherapeutics, e.g., doxorubicin, the vibrational spectroscopic techniques can - in principle - be applied to any type of analyte molecules. Furthermore, we will present the monitoring of doxorubicin uptake during experiments.

  16. The Time Domain Spectroscopic Survey: Spectroscopic Variability Investigations Within SDSS-IV/eBOSS

    NASA Astrophysics Data System (ADS)

    Green, Paul J.; Anderson, Scott F.; Morganson, Eric; Eracleous, Michael; Shen, Yue; Brandt, W. Niel; Ruan, John J.; Schmidt, Sarah J.; Badenes, Carles; West, Andrew A.; Ju, Wenhua; Greene, Jenny E.; Tdss, Panstarrs-1, Sdss-Iv

    2015-01-01

    The Time Domain Spectroscopic Survey (TDSS) is an SDSS-IV subproject that began summer 2014 and will continue for 4-6 years. Besides its main program to obtain initial characterization spectra of about 220,000 optical variables selected from PanSTARRS-1, the TDSS includes 9 separate smaller programs to study spectroscopic variability. We describe each of these Few-Epoch Spectroscopy (FES) programs, which target objects with existing SDSS spectroscopy amongst classes of quasars and stars of particular astrophysical interest. These include, in approximate order of decreasing sample size: Broad Absorption Line Quasars (BALQSOs), the most photometrically variable ("HyperVariable") quasars, high S/N normal broad line quasars, quasars with double-peaked or very asymmetric broad emission line profiles, Hypervariable stars, active ultracool (late-M and L-type) dwarf stars with Halpha emission, dwarf carbon stars, white dwarf/M dwarf spectroscopic binaries with Halpha emission, and binary supermassive black hole candidates from MgII broad line velocity shift analysis. We summarize herein the unique and diverse astrophysical investigations facilitated by these TDSS FES programs.

  17. Spectroscopic and quantum chemical study of the structure of a new paramagnetic dimeric palladium(II,III) complex with creatine

    NASA Astrophysics Data System (ADS)

    Mitewa, Mariana; Enchev, Venelin; Bakalova, Tatyana

    2002-05-01

    The structure and coordination mode of the newly synthesized dimeric paramagnetic Pd(II,III) complex are studied using magneto-chemical, EPR and IR spectroscopic methods. In order to perform reliable assignment of the IR bands, the structure and IR spectrum of the free creatine were calculated using ab initio method. For calculation of the configuration of its deprotonated and doubly deprotonated forms the semiempirical AM1 method was used.

  18. Ultra-High Resolution Spectroscopic Remote Sensing: A Microscope on Planetary Atmospheres

    NASA Technical Reports Server (NTRS)

    Kostiuk, Theodor

    2010-01-01

    Remote sensing of planetary atmospheres is not complete without studies of all levels of the atmosphere, including the dense cloudy- and haze filled troposphere, relatively clear and important stratosphere and the upper atmosphere, which are the first levels to experience the effects of solar radiation. High-resolution spectroscopy can provide valuable information on these regions of the atmosphere. Ultra-high spectral resolution studies can directly measure atmospheric winds, composition, temperature and non-thermal phenomena, which describe the physics and chemistry of the atmosphere. Spectroscopy in the middle to long infrared wavelengths can also probe levels where dust of haze limit measurements at shorter wavelength or can provide ambiguous results on atmospheric species abundances or winds. A spectroscopic technique in the middle infrared wavelengths analogous to a radio receiver. infrared heterodyne spectroscopy [1], will be describe and used to illustrate the detailed study of atmospheric phenomena not readily possible with other methods. The heterodyne spectral resolution with resolving power greater than 1,000.000 measures the true line shapes of emission and absorption lines in planetary atmospheres. The information on the region of line formation is contained in the line shapes. The absolute frequency of the lines can be measured to I part in 100 ,000,000 and can be used to accurately measure the Doppler frequency shift of the lines, directly measuring the line-of-sight velocity of the gas to --Im/s precision (winds). The technical and analytical methods developed and used to measure and analyze infrared heterodyne measurements will be described. Examples of studies on Titan, Venus, Mars, Earth, and Jupiter will be presented. 'These include atmospheric dynamics on slowly rotating bodies (Titan [2] and Venus [3] and temperature, composition and chemistry on Mars 141, Venus and Earth. The discovery and studies of unique atmospheric phenomena will also be described, such as non-thermal and lasing phenomena on Mars and Venus, mid-infrared aurora on Jupiter [5], and results of small body impacts on Jupiter [6]. The heterodyne technique can also be applied for detailed study of the Earth's stratosphere and mesosphere by measuring trace constituent abundances and temporal and spatial variability as well as winds, which provide information of transport. All ground-based measurements will be described as complementary and supporting studies for on-going and future space missions [7] (Mars Express, Venus Express, Cassini Huygens, JUNO, ExoMars Trace Gas Orbiter, and the Europa Jupiter System Mission, an Earth Science Venture Class missions), Proposed instrument and technology development for a space flight infrared heterodyne spectrometer will be described.

  19. Spectroscopic Dielectric Tensor of Monoclinic Crystals: CdWO4

    SciTech Connect

    Jellison Jr, Gerald Earle [ORNL; McGuire, Michael A [ORNL; Boatner, Lynn A [ORNL; Budai, John D [ORNL; Specht, Eliot D [ORNL; Singh, David J [ORNL

    2011-01-01

    Generalized ellipsometry measurements have been made using twelve orientations of a monoclinic CdWO4 crystal, and a formalism for determining the dielectric tensor of this non cubic system in the laboratory reference frame has been developed. Using these measurements and the associated analytical methods presented here, it is shown that the four independent complex elements of the dielectric tensor can be determined at each wavelength. Below the band edge (~4 eV), the dielectric tensor is real, and therefore, it is possible to uniquely diagonalize this tensor and determine the birefringence for light passing along the unique b axis, but the orientation of the axes will be a function of wavelength. Above the band edge, unique diagonalization is not possible. The generalized ellipsometric spectra show some symmetry in the cross polarization coefficients. When the b axis is perpendicular to the sample surface, the condition ps = sp is valid. If the b axis is perpendicular to the plane of incidence, sp = ps = 0, and if the b axis is in the plane of incidence, parallel to the sample surface, then ps = sp 0. The combined experimental and analytical methods described here are applicable to the determination of the spectroscopic dielectric tensors of monoclinic crystals in general.

  20. Structural and spectroscopic characterization of mixed planetary ices.

    PubMed

    Plattner, Nuria; Lee, Myung Won; Meuwly, Markus

    2010-01-01

    Mixed ices play a central role in characterizing the origin, evolution, stability and chemistry of planetary ice surfaces. Examples include the polar areas of Mars, the crust of the Jupiter moon Europa, or atmospheres of planets and their satellites, particularly in the outer solar system. Atomistic simulations using accurate representations of the interaction potentials have recently shown to be suitable to quantitatively describe both, the mid- and the far-infrared spectrum of mixed H2O/CO amorphous ices. In this work, molecular dynamics simulations are used to investigate structural and spectroscopic properties of mixed and crystalline ices containing H2O, CO and CO2. Particular findings include: (a) the sensitivity of the water bending mode to the local environment of the water molecules which, together with structural insights from MD simulations, provides a detailed picture for the relationship between spectroscopy and structure; and (b) the sensitivity of the low-frequency spectrum to the structure of the mixed CO2/H2O ice. Specifically, for mixed H2O/CO2 ices with low water contents isolated water molecules are found which give rise to a band shifted by only 12 cm(-1) from the gas-phase value whereas for increasing water concentration (for a 1 : 1 mixture) the band progressively shifts to higher frequency because water clusters can form. More generally it is found that changes in the ice structure due to the presence of CO2 are larger compared to changes induced by the presence of CO and that this difference is reflected in the shape of the water bending vibration. Thus, the water bending vibration appears to be a suitable diagnostic for structural and chemical aspects of mixed ices. PMID:21302549