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Sample records for advanced nmr techniques

  1. Advanced NMR-based techniques for pore structure analysis of coal. Final project report

    SciTech Connect

    Smith, D.M.; Hua, D.W.

    1996-02-01

    During the 3 year term of the project, new methods have been developed for characterizing the pore structure of porous materials such as coals, carbons, and amorphous silica gels. In general, these techniques revolve around; (1) combining multiple techniques such as small-angle x-ray scattering (SAXS) and adsorption of contrast-matched adsorbates or {sup 129}Xe NMR and thermoporometry (the change in freezing point with pore size), (2) combining adsorption isotherms over several pressure ranges to obtain a more complete description of pore filling, or (3) applying NMR ({sup 129}Xe, {sup 14}N{sub 2}, {sup 15}N{sub 2}) techniques with well-defined porous solids with pores in the large micropore size range (>1 nm).

  2. NMR Hyperpolarization Techniques for Biomedicine

    PubMed Central

    Nikolaou, Panayiotis; Goodson, Boyd M.

    2015-01-01

    Recent developments in NMR hyperpolarization have enabled a wide array of new in vivo molecular imaging modalities—ranging from functional imaging of the lungs to metabolic imaging of cancer. This Concept article explores selected advances in methods for the preparation and use of hyperpolarized contrast agents, many of which are already at or near the phase of their clinical validation in patients. PMID:25470566

  3. Advanced solid-state NMR techniques for characterization of membrane protein structure and dynamics: Application to Anabaena Sensory Rhodopsin

    NASA Astrophysics Data System (ADS)

    Ward, Meaghan E.; Brown, Leonid S.; Ladizhansky, Vladimir

    2015-04-01

    Studies of the structure, dynamics, and function of membrane proteins (MPs) have long been considered one of the main applications of solid-state NMR (SSNMR). Advances in instrumentation, and the plethora of new SSNMR methodologies developed over the past decade have resulted in a number of high-resolution structures and structural models of both bitopic and polytopic α-helical MPs. The necessity to retain lipids in the sample, the high proportion of one type of secondary structure, differential dynamics, and the possibility of local disorder in the loop regions all create challenges for structure determination. In this Perspective article we describe our recent efforts directed at determining the structure and functional dynamics of Anabaena Sensory Rhodopsin, a heptahelical transmembrane (7TM) protein. We review some of the established and emerging methods which can be utilized for SSNMR-based structure determination, with a particular focus on those used for ASR, a bacterial protein which shares its 7TM architecture with G-protein coupled receptors.

  4. Advanced NMR technology for bioscience and biotechnology

    SciTech Connect

    Hammel, P.C.; Hernandez, G.; Trewhella, J.; Unkefer, C.J.; Boumenthal, D.K.; Kennedy, M.A.; Moore, G.J.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). NMR plays critical roles in bioscience and biotechnology in both imaging and structure determination. NMR is limited, however, by the inherent low sensitivity of the NMR experiment and the demands for spectral resolution required to study biomolecules. The authors addressed both of these issues by working on the development of NMR force microscopy for molecular imaging, and high field NMR with isotope labeling to overcome limitations in the size of biomolecules that can be studied using NMR. A novel rf coil design for NMR force microscopy was developed that increases the limits of sensitivity in magnetic resonance detection for imaging, and the authors demonstrated sub-surface spatial imaging capabilities. The authors also made advances in the miniaturization of two critical NMR force microscope components. They completed high field NMR and isotope labeling studies of a muscle protein complex which is responsible for regulating muscle contraction and is too large for study using conventional NMR approaches.

  5. A New Microcell Technique for NMR Analysis.

    ERIC Educational Resources Information Center

    Yu, Sophia J.

    1987-01-01

    Describes a new laboratory technique for working with small samples of compounds used in nuclear magnetic resonance (NMR) analysis. Demonstrates how microcells can be constructed for each experiment and samples can be recycled. (TW)

  6. Advanced NMR-based techniques for pore structure analysis of coal. Quarterly report No. 9, October 1, 1993--December 30, 1993

    SciTech Connect

    Smith, D.M.

    1993-12-31

    One of the main problems in coal utilization is the inability to properly characterize its complex pore structure. Coals typically have micro/ultra-micro pores but they also exhibit meso and macroporosity. Conventional pore size techniques (adsorption/condensation, mercury porosimetry) are limited because of this broad pore size range, microporosity, reactive nature of coal, samples must be completely dried, and network/percolation effects. Small angle scattering is limited because it probes both open and dosed pores. Although one would not expect any single technique to provide a satisfactory description of a coal`s structure, it is apparent that better techniques are necessary. Small angle scattering could be improved by combining scattering and adsorption measurements. Also, the measurement of NMR parameters of various gas phase and adsorbed phase NMR active probes can provide pore structure information. We will investigate the dependence of the common NMR parameters such as chemical shifts and relaxation times of several different nuclei and compounds on the pore structure of model microporous solids, carbons, and coals. In particular, we will study the interaction between several small molecules ({sup 129}Xe, {sup 3}He, {sup 14}N{sub 2}, {sup 14}NH{sub 3}, {sup 15}N{sub 2}, {sup 13}CH{sub 4}, {sup 13}CO{sub 2}) and pore surface. Our current work may be divided into three areas: small-angle X-ray scattering (SAXS), adsorption, and NMR.

  7. Advanced Laboratory NMR Spectrometer with Applications.

    ERIC Educational Resources Information Center

    Biscegli, Clovis; And Others

    1982-01-01

    A description is given of an inexpensive nuclear magnetic resonance (NMR) spectrometer suitable for use in advanced laboratory courses. Applications to the nondestructive analysis of the oil content in corn seeds and in monitoring the crystallization of polymers are presented. (SK)

  8. NMR techniques in the study of cardiovascular structure and functions

    SciTech Connect

    Osbakken, M.; Haselgrove, J.

    1987-01-01

    The chapter titles of this book are: Introduction to NMR Techniques;Theory of NMR Probe Design;Overview of Magnetic Resonance Imaging to Study the Cardiovascular System;Vascular Anatomy and Physiology Studied with NMR Techniques;Assessment of Myocardial Ischemia and Infarction by Nuclear Magnetic Resonance Imaging;The Use of MRI in Congenital Heart Disease;Cardiomyopathies and Myocarditis Studied with NMR Techniques;Determination of Myocardial Mechanical Function with Magnetic Resonance Imaging Techniques;Determination of Flow Using NMR Techniques;The Use of Contrast Agents in Cardiac MRI;Can Cardiovascular Disease Be Effectively Evaluated with NMR Spectroscopy. NMR Studies of ATP Synthesis Reactions in the Isolated Heart;Studies of Intermediary Metabolism in the Heart by 13C NMR Spectroscopy;23Na and 39K NMR Spectroscopic Studies of the Intact Beating Heart;and Evaluation of Skeletal Muscle Metabolism in Patients with Congestive Heart Failure Using Phosphorus Nuclear Magnetic Resonance.

  9. Advanced echocardiographic techniques

    PubMed Central

    Perry, Rebecca

    2015-01-01

    Abstract Echocardiography has advanced significantly since its first clinical use. The move towards more accurate imaging and quantification has driven this advancement. In this review, we will briefly focus on three distinct but important recent advances, three‐dimensional (3D) echocardiography, contrast echocardiography and myocardial tissue imaging. The basic principles of these techniques will be discussed as well as current and future clinical applications. PMID:28191159

  10. Advances in NMR-based biofluid analysis and metabolite profiling.

    PubMed

    Zhang, Shucha; Nagana Gowda, G A; Ye, Tao; Raftery, Daniel

    2010-07-01

    Significant improvements in NMR technology and methods have propelled NMR studies to play an important role in a rapidly expanding number of applications involving the profiling of metabolites in biofluids. This review discusses recent technical advances in NMR spectroscopy based metabolite profiling methods, data processing and analysis over the last three years.

  11. Multiecho scheme advances surface NMR for aquifer characterization

    NASA Astrophysics Data System (ADS)

    Grunewald, Elliot; Walsh, David

    2013-12-01

    nuclear magnetic resonance (NMR) is increasingly used as a method to noninvasively characterize aquifers. This technology follows a successful history of NMR logging, applied over decades to estimate hydrocarbon reservoir properties. In contrast to logging, however, surface methods have utilized relatively simple acquisition sequences, from which pore-scale properties may not be reliably and efficiently estimated. We demonstrate for the first time the capability of sophisticated multiecho measurements to rapidly record a surface NMR response that more directly reflects aquifer characteristics. Specifically, we develop an adaptation of the multipulse Carr-Purcell-Meiboom-Gill (CPMG) sequence, widely used in logging, to measure the T2 relaxation response in a single scan. We validate this approach in a field surface NMR data set and by direct comparison with an NMR log. Adoption of the CPMG marked a landmark advancement in the history of logging NMR; we have now realized this same advancement in the surface NMR method.

  12. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-09-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. The main activity during this granting period was a completion of a detailed comparative analysis of the suite of spectral editing techniques developed in our laboratory for this purpose. The appended report is a manuscript being submitted to the Journal of Magnetic Resonance on this subject.

  13. A Review of the Principles and Applications of the NMR Technique for Near-Surface Characterization

    NASA Astrophysics Data System (ADS)

    Behroozmand, Ahmad A.; Keating, Kristina; Auken, Esben

    2015-01-01

    This paper presents a comprehensive review of the recent advances in nuclear magnetic resonance (NMR) measurements for near-surface characterization using laboratory, borehole, and field technologies. During the last decade, NMR has become increasingly popular in near-surface geophysics due to substantial improvements in instrumentation, data processing, forward modeling, inversion, and measurement techniques. This paper starts with a description of the principal theory and applications of NMR. It presents a basic overview of near-surface NMR theory in terms of its physical background and discusses how NMR relaxation times are related to different relaxation processes occurring in porous media. As a next step, the recent and seminal near-surface NMR developments at each scale are discussed, and the limitations and challenges of the measurement are examined. To represent the growth of applications of near-surface NMR, case studies in a variety of different near-surface environments are reviewed and, as examples, two recent case studies are discussed in detail. Finally, this review demonstrates that there is a need for continued research in near-surface NMR and highlights necessary directions for future research. These recommendations include improving the signal-to-noise ratio, reducing the effective measurement dead time, and improving production rate of surface NMR (SNMR), reducing the minimum echo time of borehole NMR (BNMR) measurements, improving petrophysical NMR models of hydraulic conductivity and vadose zone parameters, and understanding the scale dependency of NMR properties.

  14. ADVANCED SOLIDS NMR STUDIES OF COAL STRUCTURE AND CHEMISTRY

    SciTech Connect

    1997-03-01

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utilization of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NMR methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methane groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of coals, and their suitability for possible correlations with the oil sourcing potential of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples. In this report period we have focused our work on 1 segment of the program. Our last report outlined progress in using our NMR editing methods with higher field operation where higher magic angle spinning rates are required. Significant difficulties were identified, and these have been the main subject of study during the most recent granting period.

  15. Chemical structure and heterogeneity differences of two lignins from loblolly pine as investigated by advanced solid-state NMR spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Advanced solid-state NMR was employed to investigate differences in chemical structure and heterogeneity between milled wood lignin (MWL) and residual enzyme lignin (REL). Wiley and conventional milled woods were also studied. The advanced NMR techniques included 13C quantitative direct polarization...

  16. Advanced NMR-based techniques for pore structure analysis of coal. Quarterly report No. 10, January 1, 1994--March 31, 1994

    SciTech Connect

    Smith, D.M.

    1994-06-01

    In the present quarter, results from {sup 129}Xe NMR experiments were made available that allowed the determination of the mean free path of a Xenon molecule within the pores of the material. The chemical shift at various loadings of Xenon was determined and the shift at zero loading was obtained by extrapolating the data to zero pressure. At zero loading, the collisions suffered by a Xenon molecule can be regarded as being entirely with the pore walls, since the concentration of Xenon molecules in the system is very low. Thus, the mean free path {lambda} is a measure of the distance travelled by a Xenon molecule before colliding with a wall, and hence is also a measure of the pore dimension. SAXS data reported in previous quarters gave the average radius of gyration R{sub g} which is also a measure of the average dimension of the pores of the material. In addition, application of the potential theory to the CO{sub 2} (274 K) adsorption data allowed the determination of a characteristic adsorption potential E, which is inversely proportional to the width of the pore. Thus, E should correlate inversely with the mean free path {lambda} as determined using {sup 129}Xe NMR. Also, E should correlate inversely with the radius of gyration R{sub g} from SAXS experiments. Another parameter obtained by analysis of the CO{sub 2} (274 K) adsorption data is the exponent n in the Dubinin-Astakhov equation. We had shown in previous quarters that this is a measure of the heterogeneity of the material.

  17. Recent advances in application of (27)Al NMR spectroscopy to materials science.

    PubMed

    Haouas, Mohamed; Taulelle, Francis; Martineau, Charlotte

    2016-05-01

    Valuable information about the local environment of the aluminum nucleus can be obtained through (27)Al Nuclear Magnetic Resonance (NMR) parameters like the isotropic chemical shift, scalar and quadrupolar coupling constants, and relaxation rate. With nearly 250 scientific articles per year dealing with (27)Al NMR spectroscopy, this analytical tool has become popular because of the recent progress that has made the acquisition and interpretation of the NMR data much easier. The application of (27)Al NMR techniques to various classes of compounds, either in solution or solid-state, has been shown to be extremely informative concerning local structure and chemistry of aluminum in its various environments. The development of experimental methodologies combined with theoretical approaches and modeling has contributed to major advances in spectroscopic characterization especially in materials sciences where long-range periodicity and classical local NMR probes are lacking. In this review we will present an overview of results obtained by (27)Al NMR as well as the most relevant methodological developments over the last 25years, concerning particularly on progress in the application of liquid- and solid-state (27)Al NMR to the study of aluminum-based materials such as aluminum polyoxoanions, zeolites, aluminophosphates, and metal-organic-frameworks.

  18. Advancement on Visualization Techniques

    DTIC Science & Technology

    1980-10-01

    Aeroa and As ronautics Massachusetts Institute of Technology Cambridge, MA 02139 USA I !ii 1 I This AGARDograph was prepared at the request of the...the fields of science § and technology relating to aerospace for the following purposes: - Exchanging of scientific and technical information...Techniques for providing the pilot visualization have grown rapidly. Technology has developed fron mechanical gauges through electro-mechanical

  19. Advanced Coating Removal Techniques

    NASA Technical Reports Server (NTRS)

    Seibert, Jon

    2006-01-01

    An important step in the repair and protection against corrosion damage is the safe removal of the oxidation and protective coatings without further damaging the integrity of the substrate. Two such methods that are proving to be safe and effective in this task are liquid nitrogen and laser removal operations. Laser technology used for the removal of protective coatings is currently being researched and implemented in various areas of the aerospace industry. Delivering thousands of focused energy pulses, the laser ablates the coating surface by heating and dissolving the material applied to the substrate. The metal substrate will reflect the laser and redirect the energy to any remaining protective coating, thus preventing any collateral damage the substrate may suffer throughout the process. Liquid nitrogen jets are comparable to blasting with an ultra high-pressure water jet but without the residual liquid that requires collection and removal .As the liquid nitrogen reaches the surface it is transformed into gaseous nitrogen and reenters the atmosphere without any contamination to surrounding hardware. These innovative technologies simplify corrosion repair by eliminating hazardous chemicals and repetitive manual labor from the coating removal process. One very significant advantage is the reduction of particulate contamination exposure to personnel. With the removal of coatings adjacent to sensitive flight hardware, a benefit of each technique for the space program is that no contamination such as beads, water, or sanding residue is left behind when the job is finished. One primary concern is the safe removal of coatings from thin aluminum honeycomb face sheet. NASA recently conducted thermal testing on liquid nitrogen systems and found that no damage occurred on 1/6", aluminum substrates. Wright Patterson Air Force Base in conjunction with Boeing and NASA is currently testing the laser remOval technique for process qualification. Other applications of liquid

  20. An on-line NMR technique with a programmable processor

    SciTech Connect

    Razazian, K.; Dieckman, S.L.; Raptis, A.C.

    1995-07-01

    Nuclear magnetic resonance (NMR) spectroscopy is used to determine molecular content of materials, mainly in laboratory measurements. The reduced cost of fast computer processors, together with recent break throughs in digital signal processor technology, has facilitated the on-line use of NMR by allowing modifications of the available technology. This paper describes a system and an algorithm for improving the on-line operations. It is base on the time-domain NMR signal detected by the controller and some prior knowledge of chemical signal patterns. The desired signal can be separated from a composite signal by using an adaptive line enhancer (ALE) filter. This technique would be useful for upgrading process procedures in on-line manufacturing.

  1. Studies of Transition Metal Complexes Using Dynamic NMR Techniques.

    NASA Astrophysics Data System (ADS)

    Coston, Timothy Peter John

    Available from UMI in association with The British Library. This Thesis is primarily concerned with the quantitative study of fluxional processes in, predominantly platinum(IV) complexes, with the ligands 1,1,2,2-tetrakis(methylthio)ethane (MeS)_2CHCH(SMe)_2 , and 1,1,2,2-tetrakis(methylthio)ethene (MeS) _2C=C(SMe)_2. Quantitative information relating to the energetics of these processes has been obtained by a combination of one- and two-dimensional NMR techniques. Chapter One provides an introduction to the background of fluxional processes in transition metal complexes together with data concerning the energetics of the processes that have already been studied by NMR techniques. Chapter Two provides a thorough grounding in NMR techniques, in particular those concerned with the quantitative measurement of rates involved in chemical exchange processes. A description of the use of 2D EXSY NMR spectroscopy in obtaining rate data is given. The properties of the magnetic isotope of platinum are given in Chapter Three. A general survey is also given of some additional compounds that have already been studied by platinum-195 spectroscopy. Chapter Four is concerned with the quantitative study of low temperature (<293 K) fluxionality (sulphur inversion) in the complexes (PtXMe_3 (MeS)_2CHCH(SMe) _2) (X = Cl, Br, I). These complexes were studied by dynamic nuclear magnetic resonance and the information regarding the rates of sulphur inversion was obtained by complete band-shape analysis. Chapter Five is concerned with high temperature (>333 K) fluxionality, of the previous complexes, as studied by a combination of one- and two -dimensional NMR techniques. Aside from obtaining thermodynamic parameters for all the processes, a new novel mechanism is proposed. Chapter Six is primarily concerned with the NMR investigation of the new dinuclear complexes ((PtXMe _3)_2(MeS) _2CHCH(SMe)_2) (X = Cl, Br, I). The solution properties have been established and thermo-dynamic parameters

  2. Advanced Wavefront Control Techniques

    SciTech Connect

    Olivier, S S; Brase, J M; Avicola, K; Thompson, C A; Kartz, M W; Winters, S; Hartley, R; Wihelmsen, J; Dowla, F V; Carrano, C J; Bauman, B J; Pennington, D M; Lande, D; Sawvel, R M; Silva, D A; Cooke, J B; Brown, C G

    2001-02-21

    this project, work was performed in four areas (1) advanced modeling tools for deformable mirrors (2) low-order wavefront correctors with Alvarez lenses, (3) a direct phase measuring heterdyne wavefront sensor, and (4) high-spatial-frequency wavefront control using spatial light modulators.

  3. Advanced qualification techniques

    SciTech Connect

    Winokur, P.S; Shaneyfelt, M.R.; Meisenheimer, T.L.; Fleetwood, D.M.

    1993-12-01

    This paper demonstrates use of the Qualified Manufacturers List (QML) methodology to qualify commercial and military microelectronics for use in space applications. QML ``builds in`` the hardness of product through statistical process control (SPC) of technology parameters relevant to the radiation response, test structure to integrated circuit (IC) correlations, and techniques for extrapolating laboratory test results to low-dose-rate space scenarios. Each of these elements is demonstrated and shown to be a cost-effective alternative to expensive end-of-line IC testing. Several examples of test structured-IC correlations are provided and recent work on complications arising from transistor scaling and geometry is discussed. The use of a 10-keV x-ray wafer-level test system to support SPC and establish ``process capability`` is illustrated and a comparison of 10-keV x-ray and Co{sup 60} gamma irradiations is provided for a wide range of CMOS technologies. The x-ray tester is shown to be cost-effective and its use in lot acceptance/qualification is recommended. Finally, a comparison is provided between MIL-STD-883D, Test Method 1019.4, which governs the testing of packaged semiconductor microcircuits in the DoD, and ESA/SSC Basic Specification No. 22900, Europe`s Total Dose Steady-State Irradiation Test Method. Test Method 1019.4 focuses on conservative estimates of MOS hardness for space and tactical applications, while Basic Specification 22900 focuses on improved simulation of low-dose-rate space environments.

  4. Nondestructive NMR technique for moisture determination in radioactive materials.

    SciTech Connect

    Aumeier, S.; Gerald, R.E. II; Growney, E.; Nunez, L.; Kaminski, M.

    1998-12-04

    This progress report focuses on experimental and computational studies used to evaluate nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) for detecting, quantifying, and monitoring hydrogen and other magnetically active nuclei ({sup 3}H, {sup 3}He, {sup 239}Pu, {sup 241}Pu) in Spent nuclear fuels and packaging materials. The detection of moisture by using a toroid cavity NMR imager has been demonstrated in SiO{sub 2} and UO{sub 2} systems. The total moisture was quantified by means of {sup 1}H NMR detection of H{sub 2}O with a sensitivity of 100 ppm. In addition, an MRI technique that was used to determine the moisture distribution also enabled investigators to discriminate between bulk and stationary water sorbed on the particles. This imaging feature is unavailable in any other nondestructive assay (NDA) technique. Following the initial success of this program, the NMR detector volume was scaled up from the original design by a factor of 2000. The capacity of this detector exceeds the size specified by DOE-STD-3013-96.

  5. Techniques in Advanced Language Teaching.

    ERIC Educational Resources Information Center

    Ager, D. E.

    1967-01-01

    For ease of presentation, advanced grammar teaching techniques are briefly considered under the headings of structuralism (belief in the effectiveness of presenting grammar rules) and contextualism (belief in the maximum use by students of what they know in the target language). The structuralist's problem of establishing a syllabus is discussed…

  6. Factorizing numbers with the Gauss sum technique: NMR implementations

    SciTech Connect

    Mahesh, T. S.; Rajendran, Nageswaran; Peng Xinhua; Suter, Dieter

    2007-06-15

    Several physics-based algorithms for factorizing large numbers were recently presented. A notable recent algorthm by Schleich et al. uses Gauss sums for distinguishing between factors and nonfactors. We demonstrate two NMR techniques that evaluate Gauss sums and thus implement their algorithm. The first one is based on differential excitation of a single spin magnetization by a cascade of rf pulses. The second method is based on spatial averaging and selective refocusing of magnetization for Gauss sums corresponding to factors. All factors of 16 637 and 52 882 363 are successfully obtained.0.

  7. Assigning the NMR Spectrum of Glycidol: An Advanced Organic Chemistry Exercise

    ERIC Educational Resources Information Center

    Helms, Eric; Arpaia, Nicholas; Widener, Melissa

    2007-01-01

    Various one- and two-dimensional NMR experiments have been found to be extremely useful for assigning the proton and carbon NMR spectra of glycidol. The technique provides extremely valuable information aiding in the complete assignment of the peaks.

  8. Advanced NMR approaches in the characterization of coal. Final technical report, September 1, 1990--August 31, 1993

    SciTech Connect

    Maciel, G.E.

    1993-09-30

    This project addressed two main goals and one much smaller one. The main goals were (1) to improve the significance, reliability and information content in high-resolution NMR (nuclear magnetic resonance) characterization of coal samples and (2) to develop chemically informative NMR imaging techniques for coal. The minor goal was to explore advanced features of dynamic nuclear polarization (DNP) as a technique for coal characterization; this included the development of two DNP probes and the examination of DNP characteristics of various carbonaceous samples, including coals. {sup 13}C NMR advances for coal depended on large-sample MAS devices, employing either cross-polarization (CP) or direct polarization (DP) approaches. CP and DP spin dynamics and their relationships to quantitation and spin counting were elucidated. {sup 1}H NMR studies, based on CRAMPS, dipolar dephasing and saturation with perdeuteropyridine, led to a {sup 1}H NMR-based elucidation of chemical functionality in coal. {sup 1}H and {sup 13}C NMR imaging techniques, based on magic-angle spinning and rotating magnetic field gradients, were developed for introducing chemical shift information (hence, chemical detail) into the spatial imaging of coal. The TREV multiple-pulse sequence was found to be useful in the {sup 1}H CRAMPS imaging of samples like coal.

  9. Improvements in Technique of NMR Imaging and NMR Diffusion Measurements in the Presence of Background Gradients.

    NASA Astrophysics Data System (ADS)

    Lian, Jianyu

    In this work, modification of the cosine current distribution rf coil, PCOS, has been introduced and tested. The coil produces a very homogeneous rf magnetic field, and it is inexpensive to build and easy to tune for multiple resonance frequency. The geometrical parameters of the coil are optimized to produce the most homogeneous rf field over a large volume. To avoid rf field distortion when the coil length is comparable to a quarter wavelength, a parallel PCOS coil is proposed and discussed. For testing rf coils and correcting B _1 in NMR experiments, a simple, rugged and accurate NMR rf field mapping technique has been developed. The method has been tested and used in 1D, 2D, 3D and in vivo rf mapping experiments. The method has been proven to be very useful in the design of rf coils. To preserve the linear relation between rf output applied on an rf coil and modulating input for an rf modulating -amplifying system of NMR imaging spectrometer, a quadrature feedback loop is employed in an rf modulator with two orthogonal rf channels to correct the amplitude and phase non-linearities caused by the rf components in the rf system. The modulator is very linear over a large range and it can generate an arbitrary rf shape. A diffusion imaging sequence has been developed for measuring and imaging diffusion in the presence of background gradients. Cross terms between the diffusion sensitizing gradients and background gradients or imaging gradients can complicate diffusion measurement and make the interpretation of NMR diffusion data ambiguous, but these have been eliminated in this method. Further, the background gradients has been measured and imaged. A dipole random distribution model has been established to study background magnetic fields Delta B and background magnetic gradients G_0 produced by small particles in a sample when it is in a B_0 field. From this model, the minimum distance that a spin can approach a particle can be determined by measuring

  10. LHC Olympics: Advanced Analysis Techniques

    NASA Astrophysics Data System (ADS)

    Armour, Kyle; Larkoski, Andrew; Gray, Amanda; Ventura, Dan; Walsh, Jon; Schabinger, Rob

    2006-05-01

    The LHC Olympics is a series of workshop aimed at encouraging theorists and experimentalists to prepare for the soon-to-be-online Large Hadron Collider in Geneva, Switzerland. One aspect of the LHC Olympics program consists of the study of simulated data sets which represent various possible new physics signals as they would be seen in LHC detectors. Through this exercise, LHC Olympians learn the phenomenology of possible new physics models and gain experience in analyzing LHC data. Additionally, the LHC Olympics encourages discussion between theorists and experimentalists, and through this collaboration new techniques could be developed. The University of Washington LHC Olympics group consists of several first-year graduate and senior undergraduate students, in both theoretical and experimental particle physics. Presented here is a discussion of some of the more advanced techniques used and the recent results of one such LHC Olympics study.

  11. Advanced NMR characterization of zeolite catalysts. Third quarterly report, March 1-May 31, 1984

    SciTech Connect

    Welsh, L.B.

    1984-06-01

    The program discussed in this report is a two-year two-phase joint UOP-University of Illinois study of the application of improved high resolution solid state nuclear magnetic resonance (NMR) techniques to the characterization of zeolite catalysts. During the first phase of this program very pure, and in some cases isotopically enriched faujasites will be prepared and studied by majic angle sample spinning NMR (MASS NMR) and variable angle sample spinning NMR (VASS NMR) on 500 and 360 MHz (Proton frequency) NMR spectrometers. During the second phase of this program these NMR techniques will be used to study the effects of impurity concentration, dealumination treatments and cation exchange on the NMR properties of faujasites. The initial emphasis of this program during Phase I is on the preparation and measurement of the NMR properties of /sup 17/O enriched Na-Y faujasites. The effort in each phase is broken into four tasks: (1) zeolite preparation. (2) standard zeolite characterization; (3) measurement of zeolite NMR properties; and (4) analysis of NMR data. The main efforts during the third three month period of the program have been the characterization of the /sup 17/O enriched zeolites, particularly X and Y zeolites, by high resolution sample spinning /sup 17/O NMR, and the preparation of additional /sup 17/O enriched zeolites. X and Y zeolites with Si/Al framework ratios from 1.22 to 7.6 have been prepared in either the Na, NH/sub 4/ or Ba form. MASS NMR and VASS NMR as well as static NMR measurements have been made on these materials for /sup 17/O NMR frequencies from 20.4 to 67.8 MHz. Computer simulations of the experimental NMR lineshapes are in progress. Results to date indicate that the observed spectra arise from two different types of oxygen sites, possibly O in Al-O-Si links and chemically bound OH groups. 2 references, 1 figure, 1 table.

  12. Novel Techniques for Pulsed Field Gradient NMR Measurements

    NASA Astrophysics Data System (ADS)

    Brey, William Wallace

    Pulsed field gradient (PFG) techniques now find application in multiple quantum filtering and diffusion experiments as well as in magnetic resonance imaging and spatially selective spectroscopy. Conventionally, the gradient fields are produced by azimuthal and longitudinal currents on the surfaces of one or two cylinders. Using a series of planar units consisting of azimuthal and radial current elements spaced along the longitudinal axis, we have designed gradient coils having linear regions that extend axially nearly to the ends of the coil and to more than 80% of the inner radius. These designs locate the current return paths on a concentric cylinder, so the coils are called Concentric Return Path (CRP) coils. Coils having extended linear regions can be made smaller for a given sample size. Among the advantages that can accrue from using smaller coils are improved gradient strength and switching time, reduced eddy currents in the absence of shielding, and improved use of bore space. We used an approximation technique to predict the remaining eddy currents and a time-domain model of coil performance to simulate the electrical performance of the CRP coil and several reduced volume coils of more conventional design. One of the conventional coils was designed based on the time-domain performance model. A single-point acquisition technique was developed to measure the remaining eddy currents of the reduced volume coils. Adaptive sampling increases the dynamic range of the measurement. Measuring only the center of the stimulated echo removes chemical shift and B_0 inhomogeneity effects. The technique was also used to design an inverse filter to remove the eddy current effects in a larger coil set. We added pulsed field gradient and imaging capability to a 7 T commercial spectrometer to perform neuroscience and embryology research and used it in preliminary studies of binary liquid mixtures separating near a critical point. These techniques and coil designs will find

  13. How to face the low intrinsic sensitivity of 2D heteronuclear NMR with fast repetition techniques: go faster to go higher !

    PubMed

    Farjon, Jonathan

    2017-04-13

    Nuclear Magnetic Resonance (NMR) is one of the most widely used analytical techniques in numerous domains where molecules are objects of investigation. However, major limitations of multidimensional NMR experiments come from their low sensitivity and from the long times needed for their acquisition. In order to overcome such limitations, fast repetition NMR techniques allowed for the reduction of 2D experimental time and for the conversion of the gained time into a higher number of scans leading to a better sensitivity. Thus, fast repetition 2D heteronuclear NMR techniques have allowed new advances in NMR, especially to access infomation on low abundant nuclei, to enhance the detection of low concentrated compounds and to probe weak interactions like hydrogen bonds at natural abundance.

  14. Optimizing Sudden Passage in the Earth's-Field NMR Technique

    NASA Astrophysics Data System (ADS)

    Melton, B. F.; Pollak, V. L.

    The equation of motion dM/ dt= γM × B( t) is solved numerically for the case B( t) = j Bp( t) + k Be. The field Beis a small static field, typically the earth's field. The field Bp( t) is a damped oscillation having frequency greater than, or on the order of, the precession frequency in field Be. Such oscillation inevitably occurs at the end of the rapid cutoff of the coil current used to polarize the sample. It is assumed that Bp( t) is initially large compared to Be, and that magnetization M is initially along the resultant field B. This is the usual situation in the earth's-field NMR technique when the polarizing field is produced by a coil of moderate to high impedance. It is shown that, when properly damped, the transient can be used to restore the magnetization to the x-yplane, thereby maximizing the amplitude of the subsequent free precession signal. The damping required is close to critical damping, so that the problem of circuit ringing when the coil is switched to receiver mode is also eliminated.

  15. Advanced techniques for microwave reflectometry

    SciTech Connect

    Sanchez, J.; Branas, B.; Luna, E. de la; Estrada, T.; Zhuravlev, V. |; Hartfuss, H.J.; Hirsch, M.; Geist, T.; Segovia, J.; Oramas, J.L.

    1994-12-31

    Microwave reflectometry has been applied during the last years as a plasma diagnostic of increasing interest, mainly due to its simplicity, no need for large access ports and low radiation damage of exposed components. Those characteristics make reflectometry an attractive diagnostic for the next generation devices. Systems used either for density profile or density fluctuations have also shown great development, from the original single channel heterodyne to the multichannel homodyne receivers. In the present work we discuss three different advanced reflectometer systems developed by CIEMAT members in collaboration with different institutions. The first one is the broadband heterodyne reflectometer installed on W7AS for density fluctuations measurements. The decoupling of the phase and amplitude of the reflected beam allows for quantitative analysis of the fluctuations. Recent results showing the behavior of the density turbulence during the L-H transition on W7AS are shown. The second system shows how the effect of the turbulence can be used for density profile measurements by reflectometry in situations where the complicated geometry of the waveguides cannot avoid many parasitic reflections. Experiments from the TJ-I tokamak will be shown. Finally, a reflectometer system based on the Amplitude Modulation (AM) technique for density profile measurements is discussed and experimental results from the TJ-I tokamak are shown. The AM system offers the advantage of being almost insensitive to the effect of fluctuations. It is able to take a direct measurement of the time delay of the microwave pulse which propagates to the reflecting layer and is reflected back. In order to achieve fast reconstruction for real time monitoring of the density profile application of Neural Networks algorithms will be presented the method can reduce the computing times by about three orders of magnitude. 10 refs., 10 figs.

  16. Advances in Procedural Techniques - Antegrade

    PubMed Central

    Wilson, William; Spratt, James C.

    2014-01-01

    There have been many technological advances in antegrade CTO PCI, but perhaps most importantly has been the evolution of the “hybrid’ approach where ideally there exists a seamless interplay of antegrade wiring, antegrade dissection re-entry and retrograde approaches as dictated by procedural factors. Antegrade wire escalation with intimal tracking remains the preferred initial strategy in short CTOs without proximal cap ambiguity. More complex CTOs, however, usually require either a retrograde or an antegrade dissection re-entry approach, or both. Antegrade dissection re-entry is well suited to long occlusions where there is a healthy distal vessel and limited “interventional” collaterals. Early use of a dissection re-entry strategy will increase success rates, reduce complications, and minimise radiation exposure, contrast use as well as procedural times. Antegrade dissection can be achieved with a knuckle wire technique or the CrossBoss catheter whilst re-entry will be achieved in the most reproducible and reliable fashion by the Stingray balloon/wire. It should be avoided where there is potential for loss of large side branches. It remains to be seen whether use of newer dissection re-entry strategies will be associated with lower restenosis rates compared with the more uncontrolled subintimal tracking strategies such as STAR and whether stent insertion in the subintimal space is associated with higher rates of late stent malapposition and stent thrombosis. It is to be hoped that the algorithms, which have been developed to guide CTO operators, allow for a better transfer of knowledge and skills to increase uptake and acceptance of CTO PCI as a whole. PMID:24694104

  17. Advances in solid-state NMR of cellulose.

    PubMed

    Foston, Marcus

    2014-06-01

    Nuclear magnetic resonance (NMR) spectroscopy is a well-established analytical and enabling technology in biofuel research. Over the past few decades, lignocellulosic biomass and its conversion to supplement or displace non-renewable feedstocks has attracted increasing interest. The application of solid-state NMR spectroscopy has long been seen as an important tool in the study of cellulose and lignocellulose structure, biosynthesis, and deconstruction, especially considering the limited number of effective solvent systems and the significance of plant cell wall three-dimensional microstructure and component interaction to conversion yield and rate profiles. This article reviews common and recent applications of solid-state NMR spectroscopy methods that provide insight into the structural and dynamic processes of cellulose that control bulk properties and biofuel conversion.

  18. From single to multiple microcoil flow probe NMR and related capillary techniques: a review.

    PubMed

    Gökay, Ozan; Albert, Klaus

    2012-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is one of the most important and powerful instrumental analytical techniques for structural elucidation of unknown small and large (complex) isolated and synthesized compounds in organic and inorganic chemistry. X-ray crystallography, neutron scattering (neutron diffraction), and NMR spectroscopy are the only suitable methods for three-dimensional structure determination at atomic resolution. Moreover, these methods are complementary. However, by means of NMR spectroscopy, reaction dynamics and interaction processes can also be investigated. Unfortunately, this technique is very insensitive in comparison with other spectrometric (e.g., mass spectrometry) and spectroscopic (e.g., infrared spectroscopy) methods. Mainly through the development of stronger magnets and more sensitive solenoidal microcoil flow probes, this drawback has been successfully counteracted. Capillary NMR spectroscopy increases the mass-based sensitivity of the NMR spectroscopic analysis up to 100-fold compared with conventional 5-mm NMR probes, and thus can be coupled online and off-line with other microseparation and detection techniques. It offers not only higher sensitivity, but in many cases provides better quality spectra than traditional methods. Owing to the immense number of compounds (e.g., of natural product extracts and compound libraries) to be examined, single microcoil flow probe NMR spectroscopy will soon be far from being sufficiently effective as a screening method. For this reason, an inevitable trend towards coupled microseparation-multiple microcoil flow probe NMR techniques, which allow simultaneous online and off-line detection of several compounds, will occur. In this review we describe the current status and possible future developments of single and multiple microcoil capillary flow probe NMR spectroscopy and its application as a high-throughput tool for the analysis of a large number of mass-limited samples. The advantages

  19. Advanced solids NMR studies of coal structure and chemistry. Progress report, March 1 - September 1, 1996

    SciTech Connect

    Zilm, K.W.

    1996-12-31

    This report covers the progress made on the title project for the project period. The study of coal chemical structure is a vital component of research efforts to develop better chemical utili- zation of coals, and for furthering our basic understanding of coal geochemistry. In this grant we are addressing several structural questions pertaining to coals with advances in state of the art solids NMR methods. Our goals are twofold. First, we are interested in developing new methods that will enable us to measure important structural parameters in whole coals not directly accessible by other techniques. In parallel with these efforts we will apply these NNM methods in a study of the chemical differences between gas-sourcing and oil-sourcing coals. The NMR methods work will specifically focus on determination of the number and types of methylene groups, determination of the number and types of methine groups, identification of carbons adjacent to nitrogen and sites with exchangeable protons, and methods to more finely characterize the distribution of hydrogen in coals. We will also develop NMR methods for probing coal macropore structure using hyperpolarized {sup 29}Xe as a probe, and study the molecular dynamics of what appear to be mobile, CH{sub 2} rich, long chain hydrocarbons. The motivation for investigating these specific structural features of coals arises from their relevance to the chemical reactivity of coals, and their suitability for possible correlations with the oil sourcing potential of some types of coals. The coals to be studied and contrasted include oil-prone coals from Australia and Indonesia, those comprising the Argonne Premium Coal Sample bank, and other relevant samples.

  20. Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.

    PubMed

    Toukach, Filip V; Ananikov, Valentine P

    2013-11-07

    All living systems are comprised of four fundamental classes of macromolecules--nucleic acids, proteins, lipids, and carbohydrates (glycans). Glycans play a unique role of joining three principal hierarchical levels of the living world: (1) the molecular level (pathogenic agents and vaccine recognition by the immune system, metabolic pathways involving saccharides that provide cells with energy, and energy accumulation via photosynthesis); (2) the nanoscale level (cell membrane mechanics, structural support of biomolecules, and the glycosylation of macromolecules); (3) the microscale and macroscale levels (polymeric materials, such as cellulose, starch, glycogen, and biomass). NMR spectroscopy is the most powerful research approach for getting insight into the solution structure and function of carbohydrates at all hierarchical levels, from monosaccharides to oligo- and polysaccharides. Recent progress in computational procedures has opened up novel opportunities to reveal the structural information available in the NMR spectra of saccharides and to advance our understanding of the corresponding biochemical processes. The ability to predict the molecular geometry and NMR parameters is crucial for the elucidation of carbohydrate structures. In the present paper, we review the major NMR spectrum simulation techniques with regard to chemical shifts, coupling constants, relaxation rates and nuclear Overhauser effect prediction applied to the three levels of glycomics. Outstanding development in the related fields of genomics and proteomics has clearly shown that it is the advancement of research tools (automated spectrum analysis, structure elucidation, synthesis, sequencing and amplification) that drives the large challenges in modern science. Combining NMR spectroscopy and the computational analysis of structural information encoded in the NMR spectra reveals a way to the automated elucidation of the structure of carbohydrates.

  1. Advanced Spectroscopy Technique for Biomedicine

    NASA Astrophysics Data System (ADS)

    Zhao, Jianhua; Zeng, Haishan

    This chapter presents an overview of the applications of optical spectroscopy in biomedicine. We focus on the optical design aspects of advanced biomedical spectroscopy systems, Raman spectroscopy system in particular. Detailed components and system integration are provided. As examples, two real-time in vivo Raman spectroscopy systems, one for skin cancer detection and the other for endoscopic lung cancer detection, and an in vivo confocal Raman spectroscopy system for skin assessment are presented. The applications of Raman spectroscopy in cancer diagnosis of the skin, lung, colon, oral cavity, gastrointestinal tract, breast, and cervix are summarized.

  2. Stitching Techniques Advance Optics Manufacturing

    NASA Technical Reports Server (NTRS)

    2010-01-01

    Because NASA depends on the fabrication and testing of large, high-quality aspheric (nonspherical) optics for applications like the James Webb Space Telescope, it sought an improved method for measuring large aspheres. Through Small Business Innovation Research (SBIR) awards from Goddard Space Flight Center, QED Technologies, of Rochester, New York, upgraded and enhanced its stitching technology for aspheres. QED developed the SSI-A, which earned the company an R&D 100 award, and also developed a breakthrough machine tool called the aspheric stitching interferometer. The equipment is applied to advanced optics in telescopes, microscopes, cameras, medical scopes, binoculars, and photolithography."

  3. Advanced Geophysical Environmental Simulation Techniques

    DTIC Science & Technology

    2007-11-02

    cloud property retrieval algorithms for processing of large multiple-satellite data sets; development and application of improved cloud -phase and... cloud optical property retrieval algorithms; investigation of techniques potentially applicable for retrieval of cloud spatial properties from very...14. SUBJECT TERMS cirrus cloud retrieval satellite meteorology polar-orbiting geostationary 15. NUMBER OF PAGES 16. PRICE CODE 17. SECURITY

  4. Diffusion of light gases in advanced nanoporous membranes and catalysts via NMR diffusometry

    NASA Astrophysics Data System (ADS)

    Mueller, Robert A.

    Diffusion in nanoporous gas separation membranes and catalysts plays an important role in their selectivity and performance. As a result, there is an intense effort towards development of novel membranes and catalysts with microstructures tailored for improved transport properties. Fundamental understanding and prediction of the mass transport properties of these materials can be obtained by studies of mass transport on a broad range of microscopic length scales. In this dissertation, a novel NMR diffusometry technique is employed to study the influence of the pore network properties on light gas diffusion for several nanoporous systems, which represent promising advanced gas separation membranes and catalysts. The following systems were investigated: (i) carbon molecular sieve membranes, (ii) mixed-matrix membranes and (iii) rare-earth aerogel catalysts. For carbon molecular sieve membranes, the self-diffusion properties of several light gases of industrial importance are characterized by investigating the dependences of the self diffusivity on displacement length scale, temperature, sorbate loading and composition. Analysis of these dependences and comparison of the measured microscopic transport data with the corresponding results of membrane permeation enabled the determination of membrane structural properties which lead to the remarkable diffusion selectivity of these membranes. For mixed-matrix membranes, detailed measurements of light gas sorbate diffusion over a broad range of microscopic length scales enables resolution of the different modes of sorbate self-diffusion inside mixed-matrix membranes. Finally for samaria-aerogel catalyst, the influence of catalyst packing is explored based on detailed microscopic diffusion measurements over a broad range of sorbate loading pressures and detailed data analysis. These studies were enabled by application of a novel pulsed-field gradient nuclear magnetic resonance technique, developed in part by this work

  5. Septoplasty: Basic and Advanced Techniques.

    PubMed

    Most, Sam P; Rudy, Shannon F

    2017-05-01

    Nasal septal deviation is a prevalent problem that can have significant quality of life ramifications. Septoplasty is commonly performed to provide qualitative and quantitative benefit to those with nasal obstruction owing to septal deviation. Although a standard, basic technique is often adequate for individuals with mild to moderate mid to posterior septal deviation, unique challenges arise with caudal septal deviation. Herein, multiple strategies that attempt to address anterior septal deviation are discussed. Anterior septal reconstruction has been shown to be a safe and effective means by which to address severe caudal septal deviation and long-term reduction in preoperative symptoms.

  6. In-Cell Solid-State NMR: An Emerging Technique for the Study of Biological Membranes

    PubMed Central

    Warnet, Xavier L.; Arnold, Alexandre A.; Marcotte, Isabelle; Warschawski, Dror E.

    2015-01-01

    Biological molecular processes are often studied in model systems, which simplifies their inherent complexity but may cause investigators to lose sight of the effects of the molecular environment. Information obtained in this way must therefore be validated by experiments in the cell. NMR has been used to study biological cells since the early days of its development. The first NMR structural studies of a protein inside a cell (by solution-state NMR) and of a membrane protein (by solid-state NMR) were published in 2001 and 2011, respectively. More recently, dynamic nuclear polarization, which has been used to enhance the signal in solid-state NMR, has also been applied to the study of frozen cells. Much progress has been made in the past 5 years, and in this review we take stock of this new technique, which is particularly appropriate for the study of biological membranes. PMID:26682804

  7. Recent advances in protein NMR spectroscopy and their implications in protein therapeutics research.

    PubMed

    Wang, Guifang; Zhang, Ze-Ting; Jiang, Bin; Zhang, Xu; Li, Conggang; Liu, Maili

    2014-04-01

    Nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography are the two main methods for protein three-dimensional structure determination at atomic resolution. According to the protein structures deposited in the Protein Data Bank, X-ray crystallography has become the dominant method for structure determination, particularly for large proteins and complexes. However, with the developments of isotope labeling, increase of magnetic field strength, common use of a cryogenic probe, and ingenious pulse sequence design, the applications of NMR spectroscopy have expanded in biological research, especially in characterizing protein dynamics, sparsely populated transient structures, weak protein interactions, and proteins in living cells at atomic resolution, which is difficult if not impossible by other biophysical methods. Although great advances have been made in protein NMR spectroscopy, its applications in protein therapeutics, which represents the fastest growing segment of the pharmaceutical industry, are still limited. Here we review the recent advances in the use of NMR spectroscopy in studies of large proteins or complexes, posttranslation modifications, weak interactions, and aggregation, and in-cell NMR spectroscopy. The potential applications of NMR spectroscopy in protein therapeutic assays are discussed.

  8. Advanced NMR approaches in the characterization of coal

    SciTech Connect

    Maciel, G.E.

    1992-01-01

    The paper submitted earlier on the use of (bicyclo[3.2.1]4pyrrolidino-N-methyl-octan-8-one triflate) ([sup 13]CO-123) as a [sup 13]C intensity standard was accepted for publication. Subsequently, [sup 13]CO-321 was used in this manner for quantitative [sup 13]C CP-MAS NMR analysis (including spin counting) of Argonne Premium coals. The cross-polarization time constants, T[sub CH], and the rotating-frame proton spin-lattice relaxation times, T[sub 1p][sup H], were determined for each major peak of each coal via a combination of variable contact-time and variable spin-lock (T[sub 1p][sup H]) experiments. Two or three components of rotating-frame [sup 1]H relaxation decay and two or three components of T[sub CH] behavior were observed for each major [sup 13]C peak of each coal. These data were used to determine the number of carbon atoms detected in each coal; these values are in the range between 77% and 87% of the amount of carbon known to be in each coal from elemental analysis data, except for Pocahontas No. 3, for which only 50% of the carbon was detected. In an attempt to use [sup 1]H CRAMPS to elucidate chemical functionality in coal, pyridine-saturated samples of the Argonne Premium coals were examined in detail in terms of their [sup 1]H CRAMPS NMR spectra. These spectra were deconvoluted to yield relative concentrations for individual peaks.

  9. Metabolic Characterization of Advanced Liver Fibrosis in HCV Patients as Studied by Serum 1H-NMR Spectroscopy.

    PubMed

    Embade, Nieves; Mariño, Zoe; Diercks, Tammo; Cano, Ainara; Lens, Sabela; Cabrera, Diana; Navasa, Miquel; Falcón-Pérez, Juan M; Caballería, Joan; Castro, Azucena; Bosch, Jaume; Mato, José M; Millet, Oscar

    2016-01-01

    Several etiologies result in chronic liver diseases including chronic hepatitis C virus infection (HCV). Despite its high incidence and the severe economic and medical consequences, liver disease is still commonly overlooked due to the lack of efficient non-invasive diagnostic methods. While several techniques have been tested for the detection of fibrosis, the available biomarkers still present severe limitations that preclude their use in clinical diagnostics. Liver diseases have also been the subject of metabolomic analysis. Here, we demonstrate the suitability of 1H NMR spectroscopy for characterizing the metabolism of liver fibrosis induced by HCV. Serum samples from HCV patients without fibrosis or with liver cirrhosis were analyzed by NMR spectroscopy and the results were submitted to multivariate and univariate statistical analysis. PLS-DA test was able to discriminate between advanced fibrotic and non-fibrotic patients and several metabolites were found to be up or downregulated in patients with cirrhosis. The suitability of the most significantly regulated metabolites was validated by ROC analysis. Our study reveals that choline, acetoacetate and low-density lipoproteins are the most informative biomarkers for predicting cirrhosis in HCV patients. Our results demonstrate that statistical analysis of 1H-NMR spectra is able to distinguish between fibrotic and non-fibrotic patients suffering from HCV, representing a novel diagnostic application for NMR spectroscopy.

  10. Recent Advances in Multinuclear NMR Spectroscopy for Chiral Recognition of Organic Compounds.

    PubMed

    Silva, Márcio S

    2017-02-07

    Nuclear magnetic resonance (NMR) is a powerful tool for the elucidation of chemical structure and chiral recognition. In the last decade, the number of probes, media, and experiments to analyze chiral environments has rapidly increased. The evaluation of chiral molecules and systems has become a routine task in almost all NMR laboratories, allowing for the determination of molecular connectivities and the construction of spatial relationships. Among the features that improve the chiral recognition abilities by NMR is the application of different nuclei. The simplicity of the multinuclear NMR spectra relative to ¹H, the minimal influence of the experimental conditions, and the larger shift dispersion make these nuclei especially suitable for NMR analysis. Herein, the recent advances in multinuclear ((19)F, (31)P, (13)C, and (77)Se) NMR spectroscopy for chiral recognition of organic compounds are presented. The review describes new chiral derivatizing agents and chiral solvating agents used for stereodiscrimination and the assignment of the absolute configuration of small organic compounds.

  11. Hybrid mesh generation using advancing reduction technique

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This study presents an extension of the application of the advancing reduction technique to the hybrid mesh generation. The proposed algorithm is based on a pre-generated rectangle mesh (RM) with a certain orientation. The intersection points between the two sets of perpendicular mesh lines in RM an...

  12. Advanced techniques for future observations from space

    NASA Technical Reports Server (NTRS)

    Hinkley, E. D.

    1980-01-01

    Advanced remote sensing techniques for the study of global meteorology and the chemistry of the atmosphere are considered. Remote sensing from Spacelab/Shuttle and free-flying satellites will provide the platforms for instrumentation based on advanced technology. Several laser systems are being developed for the measurement of tropospheric winds and pressure, and trace species in the troposphere and stratosphere. In addition, a high-resolution passive infrared sensor shows promise for measuring temperature from sea level up through the stratosphere. Advanced optical and microwave instruments are being developed for wind measurements in the stratosphere and mesosphere. Microwave techniques are also useful for the study of meteorological parameters at the air-sea interface.

  13. Advanced Computational Techniques in Regional Wave Studies

    DTIC Science & Technology

    1990-01-03

    the new GERESS data. The dissertation work emphasized the development and use of advanced computa- tional techniques for studying regional seismic...hand, the possibility of new data sources at regional distances permits using previously ignored signals. Unfortunately, these regional signals will...the Green’s function around this new reference point is containing the propagation effects, and V is the source Gnk(x,t;r,t) - (2) volume where fJk

  14. Advanced Tools and Techniques for Formal Techniques in Aerospace Systems

    NASA Technical Reports Server (NTRS)

    Knight, John C.

    2005-01-01

    This is the final technical report for grant number NAG-1-02101. The title of this grant was "Advanced Tools and Techniques for Formal Techniques In Aerospace Systems". The principal investigator on this grant was Dr. John C. Knight of the Computer Science Department, University of Virginia, Charlottesville, Virginia 22904-4740. This report summarizes activities under the grant during the period 7/01/2002 to 9/30/2004. This report is organized as follows. In section 2, the technical background of the grant is summarized. Section 3 lists accomplishments and section 4 lists students funded under the grant. In section 5, we present a list of presentations given at various academic and research institutions about the research conducted. Finally, a list of publications generated under this grant is included in section 6.

  15. Advanced techniques in echocardiography in small animals.

    PubMed

    Chetboul, Valérie

    2010-07-01

    Transthoracic echocardiography has become a major imaging tool for the diagnosis and management of canine and feline cardiovascular diseases. During the last decade, more recent advances in ultrasound technology with the introduction of newer imaging modalities, such as tissue Doppler imaging, strain and strain rate imaging, and 2-dimensional speckle tracking echocardiography, have provided new parameters to assess myocardial performance, including regional myocardial velocities and deformation, ventricular twist, and mechanical synchrony. An outline of these 4 recent ultrasound techniques, their impact on the understanding of right and left ventricular function in small animals, and their application in research and clinical settings are given in this article.

  16. Basic concepts of advanced MRI techniques.

    PubMed

    Pagani, Elisabetta; Bizzi, Alberto; Di Salle, Francesco; De Stefano, Nicola; Filippi, Massimo

    2008-10-01

    An overview is given of magnetic resonance (MR) techniques sensitized to diffusion, flow, magnetization transfer effect, and local field inhomogeneities induced by physiological changes, that can be viewed, in the clinical practice, as advanced because of their challenging implementation and interpretation. These techniques are known as diffusion-weighted, perfusion, magnetization transfer, functional MRI and MR spectroscopy. An important issue is that they can provide quantitative estimates of structural and functional characteristics that are below the voxel resolution. This review does not deal with the basic concepts of the MR physics and the description of the available acquisition and postprocessing methods, but hopefully provides an adequate background to readers and hence facilitate the understanding of the following clinical contributions.

  17. Advanced flow MRI: emerging techniques and applications.

    PubMed

    Markl, M; Schnell, S; Wu, C; Bollache, E; Jarvis, K; Barker, A J; Robinson, J D; Rigsby, C K

    2016-08-01

    Magnetic resonance imaging (MRI) techniques provide non-invasive and non-ionising methods for the highly accurate anatomical depiction of the heart and vessels throughout the cardiac cycle. In addition, the intrinsic sensitivity of MRI to motion offers the unique ability to acquire spatially registered blood flow simultaneously with the morphological data, within a single measurement. In clinical routine, flow MRI is typically accomplished using methods that resolve two spatial dimensions in individual planes and encode the time-resolved velocity in one principal direction, typically oriented perpendicular to the two-dimensional (2D) section. This review describes recently developed advanced MRI flow techniques, which allow for more comprehensive evaluation of blood flow characteristics, such as real-time flow imaging, 2D multiple-venc phase contrast MRI, four-dimensional (4D) flow MRI, quantification of complex haemodynamic properties, and highly accelerated flow imaging. Emerging techniques and novel applications are explored. In addition, applications of these new techniques for the improved evaluation of cardiovascular (aorta, pulmonary arteries, congenital heart disease, atrial fibrillation, coronary arteries) as well as cerebrovascular disease (intra-cranial arteries and veins) are presented.

  18. An improved technique for computing permeability from NMR measurements in mudstones

    NASA Astrophysics Data System (ADS)

    Daigle, Hugh; Dugan, Brandon

    2011-08-01

    We develop a technique for extending nuclear magnetic resonance (NMR) permeability estimation to clay-rich sediments. Our technique builds on the Schlumberger-Doll Research (SDR) equation by using porosity, grain size, specific surface, and magnetic susceptibility data to yield more accurate permeability estimation in mudstones with large pore surface areas and complex mineralogies. Based on measurements of natural sediments as well as resedimented laboratory mixtures of silica, bentonite, and kaolinite powders, we find that our method predicts permeability values that match measured values over four orders of magnitude and among lithologies that vary widely in grain size, mineralogy, and surface area. Our results show that the relationship between NMR data and permeability is a function of mineralogy and grain geometry, and that permeability predictions in clay-rich sediments can be improved with insights regarding the nature of the pore system made by the Kozeny theory. This technique extends the utility of NMR measurements beyond typical reservoir-quality rocks to a wide range of lithologies.

  19. Determination of lipid content of oleaginous microalgal biomass by NMR spectroscopic and GC-MS techniques.

    PubMed

    Sarpal, Amarijt S; Teixeira, Claudia M L L; Silva, Paulo R M; Lima, Gustavo M; Silva, Samantha R; Monteiro, Thays V; Cunha, Valnei S; Daroda, Romeu J

    2015-05-01

    Direct methods based on (1)H NMR spectroscopic techniques have been developed for the determination of neutral lipids (triglycerides and free fatty acids) and polar lipids (glyceroglycolipids/phospholipids) in the solvent extracts of oleaginous microalgal biomasses cultivated on a laboratory scale with two species in different media. The chemical shift assignments observed in the (1)H and (13)C NMR spectra corresponding to unsaturated (C18:N, N = 1-3, C20:3, C20:5, C22:6, epoxy) and saturated (C14-C18) fatty acid ester components in a complex matrix involving overlapped resonances have been unambiguously confirmed by the application of 2D NMR spectroscopy (total correlation spectroscopy and heteronuclear single quantum coherence-total correlation spectroscopy). The study of the effect of a polar lipid matrix on the determination of neutral lipids by an internal reference blending process by a systematic designed experimental protocol has provided absolute quantification. The fatty acid composition of algal extracts was found to be similar to that of vegetable oils containing saturated (C16-C18:0) and unsaturated (C18:N, N = 1-3, C20:N, N = 3-4, C22:6) fatty acids as confirmed by NMR spectroscopy and gas chromatography-mass spectrometry analyses. The NMR methods developed offer great potential for rapid screening of algal strains for generation of algal biomass with the desired lipid content, quality, and potential for biodiesel and value-added polyunsaturated fatty acids in view of the cost economics of the overall cost of generation of the biomass.

  20. Pharmaceutical impurities and degradation products: uses and applications of NMR techniques.

    PubMed

    Maggio, Rubén M; Calvo, Natalia L; Vignaduzzo, Silvana E; Kaufman, Teodoro S

    2014-12-01

    Current standards and regulations demand the pharmaceutical industry not only to produce highly pure drug substances, but to achieve a thorough understanding of the impurities accompanying their manufactured drug substances and products. These challenges have become important goals of process chemistry and have steadily stimulated the search of impurities after accelerated or forced degradation procedures. As a result, impurity profiling is one of the most attractive, active and relevant fields of modern pharmaceutical analysis. This activity includes the identification, structural elucidation and quantitative determination of impurities and degradation products in bulk drugs and their pharmaceutical formulations. Nuclear magnetic resonance (NMR) spectroscopy has evolved into an irreplaceable approach for pharmaceutical quality assessment, currently playing a critical role in unequivocal structure identification as well as structural confirmation (qualitative detection), enabling the understanding of the underlying mechanisms of the formation of process and/or degradation impurities. NMR is able to provide qualitative information without the need of standards of the unknown compounds and multiple components can be quantified in a complex sample without previous separation. When coupled to separative techniques, the resulting hyphenated methodologies enhance the analytical power of this spectroscopy to previously unknown levels. As a result, and by enabling the implementation of rational decisions regarding the identity and level of impurities, NMR contributes to the goal of making better and safer medicines. Herein are discussed the applications of NMR spectroscopy and its hyphenated derivate techniques to the study of a wide range pharmaceutical impurities. Details on the advantages and disadvantages of the methodology and well as specific challenges with regards to the different analytical problems are also presented.

  1. Advanced techniques in current signature analysis

    NASA Astrophysics Data System (ADS)

    Smith, S. F.; Castleberry, K. N.

    1992-02-01

    In general, both ac and dc motors can be characterized as weakly nonlinear systems, in which both linear and nonlinear effects occur simultaneously. Fortunately, the nonlinearities are generally well behaved and understood and can be handled via several standard mathematical techniques already well developed in the systems modeling area; examples are piecewise linear approximations and Volterra series representations. Field measurements of numerous motors and motor-driven systems confirm the rather complex nature of motor current spectra and illustrate both linear and nonlinear effects (including line harmonics and modulation components). Although previous current signature analysis (CSA) work at Oak Ridge and other sites has principally focused on the modulation mechanisms and detection methods (AM, PM, and FM), more recent studies have been conducted on linear spectral components (those appearing in the electric current at their actual frequencies and not as modulation sidebands). For example, large axial-flow compressors (approximately 3300 hp) in the US gaseous diffusion uranium enrichment plants exhibit running-speed (approximately 20 Hz) and high-frequency vibrational information (greater than 1 kHz) in their motor current spectra. Several signal-processing techniques developed to facilitate analysis of these components, including specialized filtering schemes, are presented. Finally, concepts for the designs of advanced digitally based CSA units are offered, which should serve to foster the development of much more computationally capable 'smart' CSA instrumentation in the next several years.

  2. Chemical and nanometer-scale structure of kerogen and its change during thermal maturation investigated by advanced solid-state 13C NMR spectroscopy

    USGS Publications Warehouse

    Mao, J.; Fang, X.; Lan, Y.; Schimmelmann, A.; Mastalerz, Maria; Xu, L.; Schmidt-Rohr, K.

    2010-01-01

    We have used advanced and quantitative solid-state nuclear magnetic resonance (NMR) techniques to investigate structural changes in a series of type II kerogen samples from the New Albany Shale across a range of maturity (vitrinite reflectance R0 from 0.29% to 1.27%). Specific functional groups such as CH3, CH2, alkyl CH, aromatic CH, aromatic C-O, and other nonprotonated aromatics, as well as "oil prone" and "gas prone" carbons, have been quantified by 13C NMR; atomic H/C and O/C ratios calculated from the NMR data agree with elemental analysis. Relationships between NMR structural parameters and vitrinite reflectance, a proxy for thermal maturity, were evaluated. The aromatic cluster size is probed in terms of the fraction of aromatic carbons that are protonated (???30%) and the average distance of aromatic C from the nearest protons in long-range H-C dephasing, both of which do not increase much with maturation, in spite of a great increase in aromaticity. The aromatic clusters in the most mature sample consist of ???30 carbons, and of ???20 carbons in the least mature samples. Proof of many links between alkyl chains and aromatic rings is provided by short-range and long-range 1H-13C correlation NMR. The alkyl segments provide most H in the samples; even at a carbon aromaticity of 83%, the fraction of aromatic H is only 38%. While aromaticity increases with thermal maturity, most other NMR structural parameters, including the aromatic C-O fractions, decrease. Aromaticity is confirmed as an excellent NMR structural parameter for assessing thermal maturity. In this series of samples, thermal maturation mostly increases aromaticity by reducing the length of the alkyl chains attached to the aromatic cores, not by pronounced growth of the size of the fused aromatic ring clusters. ?? 2010 Elsevier Ltd. All rights reserved.

  3. NMR Techniques in Metabolomic Studies: A Quick Overview on Examples of Utilization.

    PubMed

    Kruk, Joanna; Doskocz, Marek; Jodłowska, Elżbieta; Zacharzewska, Anna; Łakomiec, Joanna; Czaja, Kornelia; Kujawski, Jacek

    2017-01-01

    Metabolomics is a rapidly developing branch of science that concentrates on identifying biologically active molecules with potential biomarker properties. To define the best biomarkers for diseases, metabolomics uses both models (in vitro, animals) and human, as well as, various techniques such as mass spectroscopy, gas chromatography, liquid chromatography, infrared and UV-VIS spectroscopy and nuclear magnetic resonance. The last one takes advantage of the magnetic properties of certain nuclei, such as (1)H, (13)C, (31)P, (19)F, especially their ability to absorb and emit energy, what is crucial for analyzing samples. Among many spectroscopic NMR techniques not only one-dimensional (1D) techniques are known, but for many years two-dimensional (2D, for example, COSY, DOSY, JRES, HETCORE, HMQS), three-dimensional (3D, DART-MS, HRMAS, HSQC, HMBC) and solid-state NMR have been used. In this paper, authors taking apart fundamental division of nuclear magnetic resonance techniques intend to shown their wide application in metabolomic studies, especially in identifying biomarkers.

  4. Epoxy Thermosets: The Detection of Adverse Stoichiometry Using Ultrasonic, Dielectric and NMR Techniques

    NASA Astrophysics Data System (ADS)

    Unwin, M. E.; Challis, R. E.

    2004-02-01

    The relative proportions of hardener and resin (the stoichiometric ratio, SR) in a curing epoxy thermoset strongly influence the engineering properties of the material. We investigate how NMR, dielectric and ultrasonic techniques can be used to track cure and estimate SR in the material. We show that all three methods are sensitive to SR and can give clear and quantitative indications of excess resin. Detection of excess hardener in the finally cured material is more difficult but can be achieved by combined measures of elastic modulus, from the ultrasonic velocity, and loss angle, from ultrasonic attenuation.

  5. Coal and char studies by advanced EMR techniques

    SciTech Connect

    Belford, R.L.; Clarkson, R.B.; Odintsov, B.M.

    1999-03-31

    Advanced magnetic resonance (EMR) methods are used to examine properties of coals, chars, and molecular species related to constituents of coal. During this grant period, further progress was made on proton NMR and low-frequency dynamic nuclear polarization (DNP) to examine the interaction between fluids such as water and the surface of suspended char particles. Effects of char particle size and type on water nuclear spin relaxation, T2, were measured and modeled.

  6. Coal and char studies by advanced EMR techniques

    SciTech Connect

    Belford, R.L.; Clarkson, R.B.; Odintsov, B.M.

    1998-09-30

    Advanced magnetic resonance (EMR) methods are used to examine properties of coals, chars, and molecular species related to constituents of coal. During this grant period, further progress was made on proton NMR and low-frequency dynamic nuclear polarization (DNP) to examine the interaction between fluids such as water and the surface of suspended char particles. Effects of char particle size on water nuclear spin relaxation, T2, were measured.

  7. Integrating Organic Matter Structure with Ecosystem Function using Advanced Analytical Chemistry Techniques

    NASA Astrophysics Data System (ADS)

    Boot, C. M.

    2012-12-01

    Microorganisms are the primary transformers of organic matter in terrestrial and aquatic ecosystems. The structure of organic matter controls its bioavailability and researchers have long sought to link the chemical characteristics of the organic matter pool to its lability. To date this effort has been primarily attempted using low resolution descriptive characteristics (e.g. organic matter content, carbon to nitrogen ratio, aromaticity, etc .). However, recent progress in linking these two important ecosystem components has been advanced using advanced high resolution tools (e.g. nuclear magnetic resonance (NMR) spectroscopy, and mass spectroscopy (MS)-based techniques). A series of experiments will be presented that highlight the application of high resolution techniques in a variety of terrestrial and aquatic ecosystems with the focus on how these data explicitly provide the foundation for integrating organic matter structure into our concept of ecosystem function. The talk will highlight results from a series of experiments including: an MS-based metabolomics and fluorescence excitation emission matrix approach evaluating seasonal and vegetation based changes in dissolved organic matter (DOM) composition from arctic soils; Fourier transform ion cyclotron resonance (FTICR) MS and MS metabolomics analysis of DOM from three lakes in an alpine watershed; and the transformation of 13C labeled glucose track with NMR during a rewetting experiment from Colorado grassland soils. These data will be synthesized to illustrate how the application of advanced analytical techniques provides novel insight into our understanding of organic matter processing in a wide range of ecosystems.

  8. Development of solid-state NMR techniques for the characterisation of pharmaceutical compounds

    NASA Astrophysics Data System (ADS)

    Tatton, Andrew S.

    Structural characterisation in the solid state is an important step in understanding the physical and chemical properties of a material. Solid-state NMR techniques applied to solid delivery forms are presented as an alternative to more established structural characterisation methods. The effect of homonuclear decoupling upon heteronuclear couplings is investigated using a combination of experimental and density-matrix simulation results acquired from a 13C-1H spinecho pulse sequence, modulated by scalar couplings. It is found that third-order cross terms under MAS and homonuclear decoupling contribute to strong dephasing effects in the NMR signal. Density-matrix simulations allow access to parameters currently unattainable in experiment, and demonstrate that higher homonuclear decoupling rf nutation frequencies reduce the magnitude of third-order cross terms. 15N-1H spinecho experiments were applied to pharmaceutically relevant samples to differentiate between the number of directly attached protons. Using this method, proton transfer in an acid-base reaction is proven in pharmaceutical salts. The indirect detection of 14N lineshapes via protons obtained using 2D 14N-1H HMQC experiments is presented, where coherence transfer is achieved via heteronuclear through-space dipolar couplings. The importance of fast MAS frequencies is demonstrated, and it is found that increasing the recoupling duration reveals longer range NH proximities. The 2D 14N-1H HMQC method is used to demonstrate the presence of specific hydrogen bonding interactions, and thus aid in identifying molecular association in a cocrystal and an amorphous dispersion. In addition, hydrogen bonding motifs were identified by observing the changes in the 14N quadrupolar parameters between individual molecular components relative to the respective solid delivery form. First-principles calculations of NMR chemical shifts and quadrupolar parameters using the GIPAW method were combined with 14N-1H experimental

  9. Bringing Advanced Computational Techniques to Energy Research

    SciTech Connect

    Mitchell, Julie C

    2012-11-17

    Please find attached our final technical report for the BACTER Institute award. BACTER was created as a graduate and postdoctoral training program for the advancement of computational biology applied to questions of relevance to bioenergy research.

  10. Structural features of a bituminous coal and their changes during low-temperature oxidation and loss of volatiles investigated by advanced solid-state NMR spectroscopy

    USGS Publications Warehouse

    Mao, J.-D.; Schimmelmann, A.; Mastalerz, Maria; Hatcher, P.G.; Li, Y.

    2010-01-01

    Quantitative and advanced 13C solid-state NMR techniques were employed to investigate (i) the chemical structure of a high volatile bituminous coal, as well as (ii) chemical structural changes of this coal after evacuation of adsorbed gases, (iii) during oxidative air exposure at room temperature, and (iv) after oxidative heating in air at 75 ??C. The solid-state NMR techniques employed in this study included quantitative direct polarization/magic angle spinning (DP/MAS) at a high spinning speed of 14 kHz, cross polarization/total sideband suppression (CP/TOSS), dipolar dephasing, CH, CH2, and CHn selection, 13C chemical shift anisotropy (CSA) filtering, two-dimensional (2D) 1H-13C heteronuclear correlation NMR (HETCOR), and 2D HETCOR with 1H spin diffusion. With spectral editing techniques, we identified methyl CCH 3, rigid and mobile methylene CCH2C, methine CCH, quaternary Cq, aromatic CH, aromatic carbons bonded to alkyls, small-sized condensed aromatic moieties, and aromatic C-O groups. With direct polarization combined with spectral-editing techniques, we quantified 11 different types of functional groups. 1H-13C 2D HETCOR NMR experiments indicated spatial proximity of aromatic and alkyl moieties in cross-linked structures. The proton spin diffusion experiments indicated that the magnetization was not equilibrated at a 1H spin diffusion time of 5 ms. Therefore, the heterogeneity in spatial distribution of different functional groups should be above 2 nm. Recoupled C-H long-range dipolar dephasing showed that the fraction of large charcoal-like clusters of polycondensed aromatic rings was relatively small. The exposure of this coal to atmospheric oxygen at room temperature for 6 months did not result in obvious chemical structural changes of the coal, whereas heating at 75 ??C in air for 10 days led to oxidation of coal and generated some COO groups. Evacuation removed most volatiles and caused a significant reduction in aliphatic signals in its DP

  11. Elucidation of the structures of residual and dissolved pine kraft lignins using an HMQC NMR technique.

    PubMed

    Balakshin, Mikhail Yu; Capanema, Ewellyn A; Chen, Chen-Loung; Gracz, Hanna S

    2003-10-08

    Comparative studies on the structures of residual and dissolved lignins isolated from pine kraft pulp and pulping liquor have been undertaken using the (1)H-(13)C HMQC NMR technique, GPC, and sugar analysis to elucidate the reaction mechanisms in kraft pulping and the lignin reactivity. A modified procedure for the isolation of enzymatic residual lignins has resulted in an appreciable decrease in protein contaminants in the residual lignin preparations (N content < 0.2%). The very high dispersion of HMQC spectra allows identification of different lignin moieties, which signals appear overlapped in 1D (13)C NMR spectra. Elucidation of the role of condensation reactions indicates that an increase in the degree of lignin condensation during pulping results from accumulation of original condensed lignin moieties rather than from the formation of new alkyl-aryl structures. Among aryl-vinyl type moieties, only stilbene structures are accumulated in lignin in appreciable amounts. Benzyl ether lignin-carbohydrate bonds involving primary hydroxyl groups of carbohydrates have been detected in residual and dissolved lignin preparations. Structures of the alpha-hydroxyacid type have been postulated to be among the important lignin degradation products in kraft pulping. The effect of the isolation method on the lignin structure and differences between the residual and dissolved lignins are discussed.

  12. LC-NMR Technique in the Analysis of Phytosterols in Natural Extracts.

    PubMed

    Horník, Stěpán; Sajfrtová, Marie; Karban, Jindřich; Sýkora, Jan; Březinová, Anna; Wimmer, Zdeněk

    2013-01-01

    The ability of LC-NMR to detect simultaneously free and conjugated phytosterols in natural extracts was tested. The advantages and disadvantages of a gradient HPLC-NMR method were compared to the fast composition screening using SEC-NMR method. Fractions of free and conjugated phytosterols were isolated and analyzed by isocratic HPLC-NMR methods. The results of qualitative and quantitative analyses were in a good agreement with the literature data.

  13. Unilateral NMR, 13C CPMAS NMR spectroscopy and micro-analytical techniques for studying the materials and state of conservation of an ancient Egyptian wooden sarcophagus.

    PubMed

    Proietti, Noemi; Presciutti, Federica; Di Tullio, Valeria; Doherty, Brenda; Marinelli, Anna Maria; Provinciali, Barbara; Macchioni, Nicola; Capitani, Donatella; Miliani, Costanza

    2011-03-01

    A multi-technique approach was employed to study a decorated Egyptian wooden sarcophagus (XXV-XXVI dynasty, Third Intermediate Period), belonging to the Museo del Vicino Oriente of the Sapienza University of Rome. Portable non-invasive unilateral NMR was applied to evaluate the conservation state of the sarcophagus. Moreover, using unilateral NMR, a non-invasive analytical protocol was established to detect the presence of organic substances on the surface and/or embedded in the wooden matrix. This protocol allowed for an educated sampling campaign aimed at further investigating the state of degradation of the wood and the presence of organic substances by (13)C cross polarization magic angle spinning (CPMAS) NMR spectroscopy. The composition of the painted layer was analysed by optical microscopy (OM), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS), Raman and surface enhanced (resonance) Raman spectroscopy (SERS/SERRS), infrared and GC-MS techniques, evidencing original components such as clay minerals, Egyptian green, indigo, natural gums, and also highlighting restoration pigments and alteration compounds. The identification of the wood, of great value for the reconstruction of the history of the artwork, was achieved by means of optical microscopy.

  14. Structure elucidation of organic compounds from natural sources using 1D and 2D NMR techniques

    NASA Astrophysics Data System (ADS)

    Topcu, Gulacti; Ulubelen, Ayhan

    2007-05-01

    In our continuing studies on Lamiaceae family plants including Salvia, Teucrium, Ajuga, Sideritis, Nepeta and Lavandula growing in Anatolia, many terpenoids, consisting of over 50 distinct triterpenoids and steroids, and over 200 diterpenoids, several sesterterpenoids and sesquiterpenoids along with many flavonoids and other phenolic compounds have been isolated. For Salvia species abietanes, for Teucrium and Ajuga species neo-clerodanes for Sideritis species ent-kaurane diterpenes are characteristic while nepetalactones are specific for Nepeta species. In this review article, only some interesting and different type of skeleton having constituents, namely rearranged, nor- or rare diterpenes, isolated from these species will be presented. For structure elucidation of these natural diterpenoids intensive one- and two-dimensional NMR techniques ( 1H, 13C, APT, DEPT, NOE/NOESY, 1H- 1H COSY, HETCOR, COLOC, HMQC/HSQC, HMBC, SINEPT) were used besides mass and some other spectroscopic methods.

  15. Recent Advances in Techniques for Starch Esters and the Applications: A Review

    PubMed Central

    Hong, Jing; Zeng, Xin-An; Brennan, Charles S.; Brennan, Margaret; Han, Zhong

    2016-01-01

    Esterification is one of the most important methods to alter the structure of starch granules and improve its applications. Conventionally, starch esters are prepared by conventional or dual modification techniques, which have the disadvantages of being expensive, have regent overdoses, and are time-consuming. In addition, the degree of substitution (DS) is often considered as the primary factor in view of its contribution to estimate substituted groups of starch esters. In order to improve the detection accuracy and production efficiency, different detection techniques, including titration, nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FT-IR), thermal gravimetric analysis/infrared spectroscopy (TGA/IR) and headspace gas chromatography (HS-GC), have been developed for DS. This paper gives a comprehensive overview on the recent advances in DS analysis and starch esterification techniques. Additionally, the advantages, limitations, some perspectives on future trends of these techniques and the applications of their derivatives in the food industry are also presented. PMID:28231145

  16. Recent Advances in Techniques for Starch Esters and the Applications: A Review.

    PubMed

    Hong, Jing; Zeng, Xin-An; Brennan, Charles S; Brennan, Margaret; Han, Zhong

    2016-07-09

    Esterification is one of the most important methods to alter the structure of starch granules and improve its applications. Conventionally, starch esters are prepared by conventional or dual modification techniques, which have the disadvantages of being expensive, have regent overdoses, and are time-consuming. In addition, the degree of substitution (DS) is often considered as the primary factor in view of its contribution to estimate substituted groups of starch esters. In order to improve the detection accuracy and production efficiency, different detection techniques, including titration, nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FT-IR), thermal gravimetric analysis/infrared spectroscopy (TGA/IR) and headspace gas chromatography (HS-GC), have been developed for DS. This paper gives a comprehensive overview on the recent advances in DS analysis and starch esterification techniques. Additionally, the advantages, limitations, some perspectives on future trends of these techniques and the applications of their derivatives in the food industry are also presented.

  17. I. Advances in NMR Signal Processing. II. Spin Dynamics in Quantum Dissipative Systems

    SciTech Connect

    Lin, Yung-Ya

    1998-11-01

    Part I. Advances in IVMR Signal Processing. Improvements of sensitivity and resolution are two major objects in the development of NMR/MRI. A signal enhancement method is first presented which recovers signal from noise by a judicious combination of a priordmowledge to define the desired feasible solutions and a set theoretic estimation for restoring signal properties that have been lost due to noise contamination. The effect of noise can be significantly mitigated through the process of iteratively modifying the noisy data set to the smallest degree necessary so that it possesses a collection of prescribed properties and also lies closest to the original data set. A novel detection-estimation scheme is then introduced to analyze noisy and/or strongly damped or truncated FIDs. Based on exponential modeling, the number of signals is detected based on information estimated using the matrix pencil method. theory and the spectral parameters are Part II. Spin Dynamics in body dipole-coupled systems Quantum Dissipative Systems. Spin dynamics in manyconstitutes one of the most fundamental problems in magnetic resonance and condensed-matter physics. Its many-spin nature precludes any rigorous treatment. ‘Therefore, the spin-boson model is adopted to describe in the rotating frame the influence of the dipolar local fields on a tagged spin. Based on the polaronic transform and a perturbation treatment, an analytical solution is derived, suggesting the existence of self-trapped states in the. strong coupling limit, i.e., when transverse local field >> longitudinal local field. Such nonlinear phenomena originate from the joint action of the lattice fluctuations and the reaction field. Under semiclassical approximation, it is found that the main effect of the reaction field is the renormalization of the Hamiltonian of interest. Its direct consequence is the two-step relaxation process: the spin is initially localized in a quasiequilibrium state, which is later detrapped by

  18. A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative using NMR spectroscopy techniques.

    PubMed

    Hamzah, Rosniza; Bakar, Mohamad Abu; Khairuddean, Melati; Mohammed, Issam Ahmed; Adnan, Rohana

    2012-09-12

    A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative was carried out using NMR spectroscopy techniques. The overlapping (1)H-NMR signals of ENR-50 at δ 1.56, 1.68-1.70, 2.06, 2.15-2.17 ppm were successfully assigned. In this work, the <(13)C-NMR chemical shift assignments of ENR-50 were consistent to the previously reported work. A cyclic dithiocarbonate derivative of ENR-50 was synthesized from the reaction of purified ENR-50 with carbon disulfide (CS(2)), in the presence of 4-dimethylaminopyridine (DMAP) as catalyst at reflux temperature. The cyclic dithiocarbonate formation involved the epoxide ring opening of the ENR-50. This was followed by insertion of the C-S moiety of CS(2) at the oxygen attached to the quaternary carbon and methine carbon of epoxidized isoprene unit, respectively. The bands due to the C=S and C-O were clearly observed in the FTIR spectrum while the (1)H-NMR spectrum of the derivative revealed the peak attributed to the methylene protons had split. The (13)C-NMR spectrum of the derivative further indicates two new carbon peaks arising from the >C=S and quaternary carbon of cyclic dithiocarbonate. All other (1)H- and (13)C-NMR chemical shifts of the derivative remain unchanged with respect to the ENR-50.

  19. Advanced crystallization techniques of 'solar grade' silicon

    NASA Astrophysics Data System (ADS)

    Gasparini, M.; Calligarich, C.; Rava, P.; Sardi, L.; Alessandri, M.; Redaelli, F.; Pizzini, S.

    Microstructural, electrical and photo-voltaic characteristics of polycrystal line silicon solar cells fabricated with silicon ingots containing 5, 100 and 500 ppmw iron are reported and discussed. All silicon ingots were grown by the directional solidification technique in graphite or special quartz molds and doped intentionally with iron, in order to evaluate the potentiality of the D.S. technique when employed with solar silicon feedstocks. Results indicate that structural breakdown limits the amount of the ingot which is usable for solar cells fabrication, but also that efficiencies in excess of 10 percent are obtained using the 'good' region of the ingot.

  20. Advances in laparoscopic urologic surgery techniques

    PubMed Central

    Abdul-Muhsin, Haidar M.; Humphreys, Mitchell R.

    2016-01-01

    The last two decades witnessed the inception and exponential implementation of key technological advancements in laparoscopic urology. While some of these technologies thrived and became part of daily practice, others are still hindered by major challenges. This review was conducted through a comprehensive literature search in order to highlight some of the most promising technologies in laparoscopic visualization, augmented reality, and insufflation. Additionally, this review will provide an update regarding the current status of single-site and natural orifice surgery in urology. PMID:27134743

  1. [Advanced online search techniques and dedicated search engines for physicians].

    PubMed

    Nahum, Yoav

    2008-02-01

    In recent years search engines have become an essential tool in the work of physicians. This article will review advanced search techniques from the world of information specialists, as well as some advanced search engine operators that may help physicians improve their online search capabilities, and maximize the yield of their searches. This article also reviews popular dedicated scientific and biomedical literature search engines.

  2. Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory

    ERIC Educational Resources Information Center

    Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.

    2015-01-01

    A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…

  3. Advanced analysis techniques for uranium assay

    SciTech Connect

    Geist, W. H.; Ensslin, Norbert; Carrillo, L. A.; Beard, C. A.

    2001-01-01

    Uranium has a negligible passive neutron emission rate making its assay practicable only with an active interrogation method. The active interrogation uses external neutron sources to induce fission events in the uranium in order to determine the mass. This technique requires careful calibration with standards that are representative of the items to be assayed. The samples to be measured are not always well represented by the available standards which often leads to large biases. A technique of active multiplicity counting is being developed to reduce some of these assay difficulties. Active multiplicity counting uses the measured doubles and triples count rates to determine the neutron multiplication (f4) and the product of the source-sample coupling ( C ) and the 235U mass (m). Since the 35U mass always appears in the multiplicity equations as the product of Cm, the coupling needs to be determined before the mass can be known. A relationship has been developed that relates the coupling to the neutron multiplication. The relationship is based on both an analytical derivation and also on empirical observations. To determine a scaling constant present in this relationship, known standards must be used. Evaluation of experimental data revealed an improvement over the traditional calibration curve analysis method of fitting the doubles count rate to the 235Um ass. Active multiplicity assay appears to relax the requirement that the calibration standards and unknown items have the same chemical form and geometry.

  4. Recent advances in DNA sequencing techniques

    NASA Astrophysics Data System (ADS)

    Singh, Rama Shankar

    2013-06-01

    Successful mapping of the draft human genome in 2001 and more recent mapping of the human microbiome genome in 2012 have relied heavily on the parallel processing of the second generation/Next Generation Sequencing (NGS) DNA machines at a cost of several millions dollars and long computer processing times. These have been mainly biochemical approaches. Here a system analysis approach is used to review these techniques by identifying the requirements, specifications, test methods, error estimates, repeatability, reliability and trends in the cost reduction. The first generation, NGS and the Third Generation Single Molecule Real Time (SMART) detection sequencing methods are reviewed. Based on the National Human Genome Research Institute (NHGRI) data, the achieved cost reduction of 1.5 times per yr. from Sep. 2001 to July 2007; 7 times per yr., from Oct. 2007 to Apr. 2010; and 2.5 times per yr. from July 2010 to Jan 2012 are discussed.

  5. Diagnostics of nonlocal plasmas: advanced techniques

    NASA Astrophysics Data System (ADS)

    Mustafaev, Alexander; Grabovskiy, Artiom; Strakhova, Anastasiya; Soukhomlinov, Vladimir

    2014-10-01

    This talk generalizes our recent results, obtained in different directions of plasma diagnostics. First-method of flat single-sided probe, based on expansion of the electron velocity distribution function (EVDF) in series of Legendre polynomials. It will be demonstrated, that flat probe, oriented under different angles with respect to the discharge axis, allow to determine full EVDF in nonlocal plasmas. It is also shown, that cylindrical probe is unable to determine full EVDF. We propose the solution of this problem by combined using the kinetic Boltzmann equation and experimental probe data. Second-magnetic diagnostics. This method is implemented in knudsen diode with surface ionization of atoms (KDSI) and based on measurements of the magnetic characteristics of the KDSI in presence of transverse magnetic field. Using magnetic diagnostics we can investigate the wide range of plasma processes: from scattering cross-sections of electrons to plasma-surface interactions. Third-noncontact diagnostics method for direct measurements of EVDF in remote plasma objects by combination of the flat single-sided probe technique and magnetic polarization Hanley method.

  6. Quadrupole-Echo Techniques in Multiple-Quantum-Filtered NMR Spectroscopy of Heterogeneous Systems

    NASA Astrophysics Data System (ADS)

    Eliav, U.; Navon, G.

    Multiple-quantum-filtered quadrupole-echo pulse sequences for spin I = 1 and I = {3}/{2} are suggested. A general condition for obtaining simultaneously Zeeman and quadrupolar echo is formulated. A theoretical analysis of the various pulse sequences was performed on the basis of second-order perturbation approximation of the Liouville equation for the density matrix. The extent of refocusing as a function of the ratio of the residual quadrupolar interaction and the relaxation rates was calculated. Experimental results are presented for 2H and 23Na in cartilage as an example of a heterogeneous system with residual quadrupolar interaction. The difference between relaxation times measured by the multiple-quantum-filtered echo techniques and those measured by conventional multiple-quantum-filtered NMR spectroscopy is a simple diagnostic of anisotropic motion that leads to a residual quadrupolar interaction. The results of the echo experiments are compared with the relaxation times computed on the basis of lineshape analysis of double-quantum-filtered spectra of a heterogeneous system.

  7. Innovative Tools Advance Revolutionary Weld Technique

    NASA Technical Reports Server (NTRS)

    2009-01-01

    The iconic, orange external tank of the space shuttle launch system not only contains the fuel used by the shuttle s main engines during liftoff but also comprises the shuttle s backbone, supporting the space shuttle orbiter and solid rocket boosters. Given the tank s structural importance and the extreme forces (7.8 million pounds of thrust load) and temperatures it encounters during launch, the welds used to construct the tank must be highly reliable. Variable polarity plasma arc welding, developed for manufacturing the external tank and later employed for building the International Space Station, was until 1994 the best process for joining the aluminum alloys used during construction. That year, Marshall Space Flight Center engineers began experimenting with a relatively new welding technique called friction stir welding (FSW), developed in 1991 by The Welding Institute, of Cambridge, England. FSW differs from traditional fusion welding in that it is a solid-state welding technique, using frictional heat and motion to join structural components without actually melting any of the material. The weld is created by a shouldered pin tool that is plunged into the seam of the materials to be joined. The tool traverses the line while rotating at high speeds, generating friction that heats and softens but does not melt the metal. (The heat produced approaches about 80 percent of the metal s melting temperature.) The pin tool s rotation crushes and stirs the plasticized metal, extruding it along the seam as the tool moves forward. The material cools and consolidates, resulting in a weld with superior mechanical properties as compared to those weld properties of fusion welds. The innovative FSW technology promises a number of attractive benefits. Because the welded materials are not melted, many of the undesirables associated with fusion welding porosity, cracking, shrinkage, and distortion of the weld are minimized or avoided. The process is more energy efficient, safe

  8. Determination of porosity of lignocellulosic biomass before and after pretreatment by using Simons' stain and NMR techniques.

    PubMed

    Meng, Xianzhi; Foston, Marcus; Leisen, Johannes; DeMartini, Jaclyn; Wyman, Charles E; Ragauskas, Arthur J

    2013-09-01

    To further investigate the effect of dilute acid pretreatment (DAP) and steam explosion pretreatment (SE) on the change in cellulose accessibility, several techniques were applied including a Simons' stain (SS) technique along with several NMR methods (i.e., NMR cryoporometry, (1)H spin-lattice (T1) and (1)H spin-spin (T2) relaxometry, and diffusometry). These methods were utilized to probe biomass porosity and thus assess cellulose accessibility on untreated and pretreated Populus. In general, these techniques indicate that pretreated Populus has larger pore size distributions and specific surface area (SSA) when compared to an untreated sample. The SS method revealed that DAP is more effective than SE in terms of the SSA increase, and that DAP increases SSA as a function of pretreatment severity. Relaxometry and diffusion measurements also suggest pore expansion occurs primarily in the first 10 min of DAP.

  9. Advances in gamma titanium aluminides and their manufacturing techniques

    NASA Astrophysics Data System (ADS)

    Kothari, Kunal; Radhakrishnan, Ramachandran; Wereley, Norman M.

    2012-11-01

    Gamma titanium aluminides display attractive properties for high temperature applications. For over a decade in the 1990s, the attractive properties of titanium aluminides were outweighed by difficulties encountered in processing and machining at room temperature. But advances in manufacturing technologies, deeper understanding of titanium aluminides microstructure, deformation mechanisms, and advances in micro-alloying, has led to the production of gamma titanium aluminide sheets. An in-depth review of key advances in gamma titanium aluminides is presented, including microstructure, deformation mechanisms, and alloy development. Traditional manufacturing techniques such as ingot metallurgy and investment casting are reviewed and advances via powder metallurgy based manufacturing techniques are discussed. Finally, manufacturing challenges facing gamma titanium aluminides, as well as avenues to overcome them, are discussed.

  10. 75 FR 44015 - Certain Semiconductor Products Made by Advanced Lithography Techniques and Products Containing...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-27

    ... COMMISSION Certain Semiconductor Products Made by Advanced Lithography Techniques and Products Containing... importation of certain semiconductor products made by advanced lithography techniques and products containing... certain semiconductor products made by advanced lithography techniques or products containing same...

  11. Advanced liner-cooling techniques for gas turbine combustors

    NASA Technical Reports Server (NTRS)

    Norgren, C. T.; Riddlebaugh, S. M.

    1985-01-01

    Component research for advanced small gas turbine engines is currently underway at the NASA Lewis Research Center. As part of this program, a basic reverse-flow combustor geometry was being maintained while different advanced liner wall cooling techniques were investigated. Performance and liner cooling effectiveness of the experimental combustor configuration featuring counter-flow film-cooled panels is presented and compared with two previously reported combustors featuring: splash film-cooled liner walls; and transpiration cooled liner walls (Lamilloy).

  12. NMR techniques for determination of lipid content in microalgal biomass and their use in monitoring the cultivation with biodiesel potential.

    PubMed

    Sarpal, Amarjit S; Teixeira, Cláudia M L L; Silva, Paulo Roque Martins; da Costa Monteiro, Thays Vieira; da Silva, Júlia Itacolomy; da Cunha, Valnei Smarcaro; Daroda, Romeu José

    2016-03-01

    In the present investigation, the application of NMR spectroscopic techniques was extensively used with an objective to explore the biodiesel potential of biomass cultivated on a lab scale using strains of Chlorella vulgaris and Scenedesmus ecornis. The effect of variation in the composition of culturing medium on the neutral and polar lipids productivity, and fatty acid profile of solvent extracts of microalgae biomass was studied. Determination of unsaturated fatty acid composition (C18:N = 1-3, ω3 C20:5, ω3 C22:6), polyunsaturated fatty esters (PUFEs), saturated fatty acids (SFAs), unsaturated fatty acids (UFAs), free fatty acids (FFAs), and iodine value were achieved from a single (1)H NMR spectral analysis. The results were validated by (13)C NMR and GC-MS analyses. It was demonstrated that newly developed methods based on (1)H and (13)C NMR techniques are direct, rapid, and convenient for monitoring the microalgae cultivation process for enhancement of lipid productivity and their quality aspects in the solvent extracts of microalgal biomasses without any sample treatment and prior separation compared to other methods. The fatty acid composition of algae extracts was found to be similar to vegetable and fish oils, mostly rich in C16:0, C18:N (N = 0 to 3), and n-3 omega polyunsaturated fatty acids (PUFAs). The lipid content, particularly neutral lipids, as well as most of the quality parameters were found to be medium specific by both the strains. The newly developed methods based on NMR and ultrasonic procedure developed for efficient extraction of neutral lipids are cost economic and can be an effective aid for rapid screening of algae strains for modulation of lipid productivity with desired biodiesel quality and value-added products including fatty acid profile.

  13. Advanced instrumentation for DNP-enhanced MAS NMR for higher magnetic fields and lower temperatures.

    PubMed

    Matsuki, Yoh; Idehara, Toshitaka; Fukazawa, Jun; Fujiwara, Toshimichi

    2016-03-01

    Sensitivity enhancement of MAS NMR using dynamic nuclear polarization (DNP) is gaining importance at moderate fields (B0<9T) and temperatures (T>90K) with potential applications in chemistry and material sciences. However, considering the ever-increasing size and complexity of the systems to be studied, it is crucial to establish DNP under higher field conditions, where the spectral resolution and the basic NMR sensitivity tend to improve. In this perspective, we overview our recent efforts on hardware developments, specifically targeted on improving DNP MAS NMR at high fields. It includes the development of gyrotrons that enable continuous frequency tuning and rapid frequency modulation for our 395 GHz-600 MHz and 460 GHz-700 MHz DNP NMR spectrometers. The latter 700 MHz system involves two gyrotrons and a quasi-optical transmission system that combines two independent sub-millimeter waves into a single dichromic wave. We also describe two cryogenic MAS NMR probe systems operating, respectively, at T ∼ 100K and ∼ 30K. The latter system utilizes a novel closed-loop helium recirculation mechanism, achieving cryogenic MAS without consuming any cryogen. These instruments altogether should promote high-field DNP toward more efficient, reliable and affordable technology. Some experimental DNP results obtained with these instruments are presented.

  14. Recent advances and new strategies in the NMR-based identification of natural products.

    PubMed

    Halabalaki, Maria; Vougogiannopoulou, Konstantina; Mikros, Emmanuel; Skaltsounis, Alexios Leandros

    2014-02-01

    Nature comprises an untapped pool of unique compounds with high structural uniqueness and exceptional properties. At the core of natural products (NPs) discovery is the identification procedure and NMR remains the most efficient method. Technical improvements such as miniaturized and crycogenic NMR probes along with hyphenation capabilities and computational support are at the center of evolution. Concepts such as dereplication and metabolomics are increasingly adopted in NPs using the power of databases, currently fragmented. The introduction and utilization of these technical and computational implements could lead NPs research to more comprehensive structure identification and new holistic perspectives.

  15. Wafer hot spot identification through advanced photomask characterization techniques

    NASA Astrophysics Data System (ADS)

    Choi, Yohan; Green, Michael; McMurran, Jeff; Ham, Young; Lin, Howard; Lan, Andy; Yang, Richer; Lung, Mike

    2016-10-01

    As device manufacturers progress through advanced technology nodes, limitations in standard 1-dimensional (1D) mask Critical Dimension (CD) metrics are becoming apparent. Historically, 1D metrics such as Mean to Target (MTT) and CD Uniformity (CDU) have been adequate for end users to evaluate and predict the mask impact on the wafer process. However, the wafer lithographer's process margin is shrinking at advanced nodes to a point that the classical mask CD metrics are no longer adequate to gauge the mask contribution to wafer process error. For example, wafer CDU error at advanced nodes is impacted by mask factors such as 3-dimensional (3D) effects and mask pattern fidelity on subresolution assist features (SRAFs) used in Optical Proximity Correction (OPC) models of ever-increasing complexity. These items are not quantifiable with the 1D metrology techniques of today. Likewise, the mask maker needs advanced characterization methods in order to optimize the mask process to meet the wafer lithographer's needs. These advanced characterization metrics are what is needed to harmonize mask and wafer processes for enhanced wafer hot spot analysis. In this paper, we study advanced mask pattern characterization techniques and their correlation with modeled wafer performance.

  16. Bringing The Web Down to Size: Advanced Search Techniques.

    ERIC Educational Resources Information Center

    Huber, Joe; Miley, Donna

    1997-01-01

    Examines advanced Internet search techniques, focusing on six search engines. Includes a chart comparison of nine search features: "include two words,""exclude one of two words,""exclude mature audience content,""two adjacent words,""exact match,""contains first and neither of two following…

  17. Advanced Marketing Core Curriculum. Test Items and Assessment Techniques.

    ERIC Educational Resources Information Center

    Smith, Clifton L.; And Others

    This document contains duties and tasks, multiple-choice test items, and other assessment techniques for Missouri's advanced marketing core curriculum. The core curriculum begins with a list of 13 suggested textbook resources. Next, nine duties with their associated tasks are given. Under each task appears one or more citations to appropriate…

  18. Genioglossus muscle advancement: A modification of the conventional technique.

    PubMed

    García Vega, José Ramón; de la Plata, María Mancha; Galindo, Néstor; Navarro, Miriam; Díez, Daniel; Láncara, Fernando

    2014-04-01

    Obstructive sleep apnoea syndrome (OSAS) is a pathophysiologic condition associated with fragmented sleep and arousals caused by nocturnal mechanical obstruction of the upper airway. This results in behavioural derangements, such as excessive daytime sleepiness and fatigue, and pathophysiologic derangements that cause morbidities and mortality including hypertension, arrhythmias, myocardial infarction, stroke and sudden death. The genioglossus advancement is a proven technique for the treatment of mild to moderate obstructive sleep apnoea syndrome by relieving airway obstruction at the hypopharyngeal level. In this article, we report a modification of the conventional genioglossus advancement described by Riley and Powell. The modification we describe replaces the bone segment at the mandibular basal bone rather than at the mid area of the symphysis. This means a linear movement that allows a greater advancement and avoids the rotation of the genioglossus muscle. Through this article we will describe the advantages of the surgical technique such as greater effectiveness, stability, more pleasing aesthetic outcome and the reduction of potential complications.

  19. Advances in techniques for assessment of microalgal lipids.

    PubMed

    Challagulla, Vineela; Nayar, Sasi; Walsh, Kerry; Fabbro, Larelle

    2016-07-15

    Microalgae are a varied group of organisms with considerable commercial potential as sources of various biochemicals, storage molecules and metabolites such as lipids, sugars, amino acids, pigments and toxins. Algal lipids can be processed to bio-oils and biodiesel. The conventional method to estimate algal lipids is based on extraction using solvents and quantification by gravimetry or chromatography. Such methods are time consuming, use hazardous chemicals and are labor intensive. For rapid screening of prospective algae or for management decisions (e.g. decision on timing of harvest), a rapid, high throughput, reliable, accurate, cost effective and preferably nondestructive analytical technique is desirable. This manuscript reviews the application of fluorescent lipid soluble dyes (Nile Red and BODIPY 505/515), nuclear magnetic resonance (NMR), Raman, Fourier transform infrared (FTIR) and near infrared (NIR) spectroscopy for the assessment of lipids in microalgae.

  20. Application of phosphorus-31 and aluminum-27 NMR spectroscopic techniques to study aqueous and methanolic solutions of tetraphenylammonium aluminophosphate

    NASA Astrophysics Data System (ADS)

    Goudarzi, Nasser; Amin, Amir H.

    2017-01-01

    In this work, aluminum-27 and phosphorus-31 NMR spectroscopic techniques were used to investigate and characterize the distribution of aluminophosphate (AlPO) species soluble in the aqueous and methanolic solutions of tetraphenylammonium (TPhA) chloride. The reaction between hexaaquaaluminum cations, [A1(H2O)6]3+, and different phosphate ligands such as H3PO4, H2PO4-, and the acidic dimers H6P2O8 and H5P2O8- resulted in the formation of the soluble AlPO cations. The effective aluminum-27 and phosphorous-31 NMR spectroscopies can be employed to characterize the species present in a solution. Assignment of the peaks present in the aluminum-27 NMR spectra to the aluminate species or aluminate connectivities was done to acquire information about different AlPO complexes. Some resonance lines were observed in the phosphorus-31 {1H} NMR spectra, indicating the existence of different complexes in the AlPO solutions. Some peaks were observed in the methanolic solutions of AlPO at the chemical shifts of -0.41, -6.4, -7.5, -7.9, -13.1, -13.9, -16.6, -18.1, and -20.6 ppm. Four additional peaks were also observed in the phosphorus-31 {1H} NMR spectra of the methanolic solutions of AlPO, whose intensities changed with changes in the methanol:water volume ratio; they were observed in methanol but not in aqueous AlPO.

  1. Autonomous driving in NMR.

    PubMed

    Perez, Manuel

    2017-01-01

    The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and automation have opened new research areas to NMR and increased the throughput of data. Full automatic analysis is a worthy, albeit hard, challenge, but in a world of artificial intelligence, instant communication and big data, it seems that this particular fight is happening with only one technique at a time (let this be NMR, MS, IR, UV or any other), when the reality of most laboratories is that there are several types of analytical instrumentation present. Data aggregation, verification and elucidation by using complementary techniques (e.g. MS and NMR) is a desirable outcome to pursue, although a time-consuming one if performed manually; hence, the use of automation to perform the heavy lifting for users is required to make the approach attractive for scientists. Many of the decisions and workflows that could be implemented under automation will depend on the two-way communication with databases that understand analytical data, because it is desirable not only to query these databases but also to grow them in as much of an automatic manner as possible. How these databases are designed, set up and the data inside classified will determine what workflows can be implemented. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Structural changes of humic acids from sinking organic matter and surface sediments investigated by advanced solid-state NMR: Insights into sources, preservation and molecularly uncharacterized components

    NASA Astrophysics Data System (ADS)

    Mao, Jingdong; Tremblay, Luc; Gagné, Jean-Pierre

    2011-12-01

    Knowledge of the structural changes that particulate organic matter (POM) undergoes in natural systems is essential for determining its reactivity and fate. In the present study, we used advanced solid-state NMR techniques to investigate the chemical structures of sinking particulate matter collected at different depths as well as humic acids (HAs) extracted from these samples and underlying sediments from the Saguenay Fjord and the St. Lawrence Lower Estuary (Canada). Compared to bulk POM, HAs contain more non-polar alkyls, aromatics, and aromatic C-O, but less carbohydrates (or carbohydrate-like structures). In the two locations studied, the C and N contents of the samples (POM and HAs) decreased with depth and after deposition onto sediments, leaving N-poor but O-enriched HAs and suggesting the involvement of partial oxidation reactions during POM microbial degradation. Advanced NMR techniques revealed that, compared to the water-column HAs, sedimentary HAs contained more protonated aromatics, non-protonated aromatics, aromatic C-O, carbohydrates (excluding anomerics), anomerics, OC q, O-C q-O, OCH, and OCH 3 groups, but less non-polar alkyls, NCH, and mobile CH 2 groups. These results are consistent with the relatively high reactivity of lipids and proteins or peptides. In contrast, carbohydrate-like structures were selectively preserved and appeared to be involved in substitution and copolymerization reactions. Some of these trends support the selective degradation (or selective preservation) theory. The results provide insights into mechanisms that likely contribute to the preservation of POM and the formation of molecules that escape characterization by traditional methods. Despite the depletion of non-polar alkyls with depth in HAs, a significant portion of their general structure survived and can be assigned to a model phospholipid. In addition, little changes in the connectivities of different functional groups were observed. Substituted and copolymerized

  3. Advanced techniques in safeguarding a conditioning facility for spent fuel

    SciTech Connect

    Rudolf, K.; Weh, R. )

    1992-01-01

    Although reprocessing continues to be the main factor in the waste management of nuclear reactors, the alternative of direct final disposal is currently being developed to the level of industrial applications, based on an agreement between the heads of the federal government and the federal states of Germany. Thus, the Konrad and Gorleben sites are being studied as potential final repositories as is the pilot conditioning facility (PKA) under construction. Discussions on the application of safeguards measures have led to the drafting of an approach that will cover the entire back end of the fuel cycle. The conditioning of fuel prior to direct final disposal represents one element in the overall approach. A modern facility equipped with advanced technology, PKA is a pilot plant with regard to conditioning techniques as well as to safeguards. Therefore, the PKA safeguards approach is expected to facilitate future industrial applications of the conditioning procedure. This cannot be satisfactorily implemented without advanced safeguards techniques. The level of development of the safeguards techniques varies. While advanced camera and seal systems are basically available, the other techniques and methods still require research and development. Feasibility studies and equipment development are geared to providing applicable safeguards techniques in time for commissioning of the PKA.

  4. Characterization by solid-state NMR and selective dissolution techniques of anhydrous and hydrated CEM V cement pastes

    SciTech Connect

    Brunet, F.; Charpentier, T.; Chao, C.N.; Peycelon, H.; Nonat, A.

    2010-02-15

    The long term behaviour of cement based materials is strongly dependent on the paste microstructure and also on the internal chemistry. A CEM V blended cement containing pulverised fly ash (PFA) and blastfurnace slag (BFS) has been studied in order to understand hydration processes which influence the paste microstructure. Solid-state NMR spectroscopy with complementary X-ray diffraction analysis and selective dissolution techniques have been used for the characterization of the various phases (C{sub 3}S, C{sub 2}S, C{sub 3}A and C{sub 4}AF) of the clinker and additives and then for estimation of the degree of hydration of these same phases. Their quantification after simulation of experimental {sup 29}Si and {sup 27}Al MAS NMR spectra has allowed us to follow the hydration of recent (28 days) and old (10 years) samples that constitutes a basis of experimental data for the prediction of hydration model.

  5. Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques.

    PubMed

    Yang, Hongqin; Liu, Jiuyang; Huang, Yanmei; Gao, Rui; Tang, Bin; Li, Shanshan; He, Jiawei; Li, Hui

    2017-03-30

    Alisertib (MLN8237) is an orally administered inhibitor of Aurora A kinase. This small-molecule inhibitor is under clinical or pre-clinical phase for the treatment of advanced malignancies. The present study provides a detailed characterization of the interaction of MLN8237 with a drug transport protein called human serum albumin (HSA). STD and WaterLOGSY nuclear magnetic resonance (NMR)-binding studies were conducted first to confirm the binding of MLN8237 to HSA. In the ligand orientation assay, the binding sites of MLN8237 were validated through two site-specific spy molecules (warfarin sodium and ibuprofen, which are two known site-selective probes) by using STD and WaterLOGSY NMR competition techniques. These competition experiments demonstrate that both spy molecules do not compete with MLN8237 for the specific binding site. The AutoDock-based blind docking study recognizes the hydrophobic subdomain IB of the protein as the probable binding site for MLN8237. Thermodynamic investigations by isothermal titration calorimetry (ITC) reveal that the non-covalent interaction between MLN8237 and HSA (binding constant was approximately 10(5) M(-1)) is driven mainly by favorable entropy and unfavorable enthalpy. In addition, synchronous fluorescence, circular dichroism (CD), and 3D fluorescence spectroscopy suggest that MLN8237 may induce conformational changes in HSA.

  6. Domain-specific interactions between MLN8237 and human serum albumin estimated by STD and WaterLOGSY NMR, ITC, spectroscopic, and docking techniques

    PubMed Central

    Yang, Hongqin; Liu, Jiuyang; Huang, Yanmei; Gao, Rui; Tang, Bin; Li, Shanshan; He, Jiawei; Li, Hui

    2017-01-01

    Alisertib (MLN8237) is an orally administered inhibitor of Aurora A kinase. This small-molecule inhibitor is under clinical or pre-clinical phase for the treatment of advanced malignancies. The present study provides a detailed characterization of the interaction of MLN8237 with a drug transport protein called human serum albumin (HSA). STD and WaterLOGSY nuclear magnetic resonance (NMR)-binding studies were conducted first to confirm the binding of MLN8237 to HSA. In the ligand orientation assay, the binding sites of MLN8237 were validated through two site-specific spy molecules (warfarin sodium and ibuprofen, which are two known site-selective probes) by using STD and WaterLOGSY NMR competition techniques. These competition experiments demonstrate that both spy molecules do not compete with MLN8237 for the specific binding site. The AutoDock-based blind docking study recognizes the hydrophobic subdomain IB of the protein as the probable binding site for MLN8237. Thermodynamic investigations by isothermal titration calorimetry (ITC) reveal that the non-covalent interaction between MLN8237 and HSA (binding constant was approximately 105 M−1) is driven mainly by favorable entropy and unfavorable enthalpy. In addition, synchronous fluorescence, circular dichroism (CD), and 3D fluorescence spectroscopy suggest that MLN8237 may induce conformational changes in HSA. PMID:28358124

  7. Advanced Packaging Materials and Techniques for High Power TR Module: Standard Flight vs. Advanced Packaging

    NASA Technical Reports Server (NTRS)

    Hoffman, James Patrick; Del Castillo, Linda; Miller, Jennifer; Jenabi, Masud; Hunter, Donald; Birur, Gajanana

    2011-01-01

    The higher output power densities required of modern radar architectures, such as the proposed DESDynI [Deformation, Ecosystem Structure, and Dynamics of Ice] SAR [Synthetic Aperture Radar] Instrument (or DSI) require increasingly dense high power electronics. To enable these higher power densities, while maintaining or even improving hardware reliability, requires advances in integrating advanced thermal packaging technologies into radar transmit/receive (TR) modules. New materials and techniques have been studied and compared to standard technologies.

  8. Regenerated silk fibers: Structural studies and solid state NMR techniques for efficient multiple distance determinations in proteins

    NASA Astrophysics Data System (ADS)

    Liivak, Oskar

    2000-09-01

    Material Science is the science of understanding the relationship between the molecular level structure of a material and its macroscopic properties. Such research requires both the ability to determine molecular structure and the ability to control and modify the molecular structure. The present research into silks, especially the dragline silk from the spider Nephila clavipes , is occurring at a time when these two criteria are beginning to be met for proteins like spider silk. Genetic engineering has evolved to the point where material scientists have full control over the primary sequence of amino acids that comprise proteins. In addition, solid state nuclear magnetic resonance (NMR) techniques exist which allow us to probe molecular structure. This work applies solid state NMR to the study of the structure of silk fibers. In particular, we focus on techniques of fiber regeneration from solution. The purpose is not only to develop the techniques by which genetically engineered fibers could be spun into fibers for mass production but also as a tool into fundamental silk research. Results on these regenerated fibers show a correlation between the fraction of the silk's alanine residues which are in the β-sheet conformation and the ultimate tensile strength of the fibers. In addition, in a clever mating of the fiber regeneration technique and the solid state NMR distance measurement experiment, rotational echo double resonance (REDOR), we investigate the supramolecular topology of the alanine β-sheet crystals. Even though the REDOR technique has failings for the complicated ISn spin systems found in the silk samples, a qualitative analysis does indicate that the β-sheet crystals are intermolecular. Finally, we investigate a new class of REDOR-like experiments which are designed to overcome the failings of REDOR in ISn spin systems. Experimental data is shown to validate these ideas. An alternate pulse sequence is also introduced and verified with experimental

  9. Technology development of fabrication techniques for advanced solar dynamic concentrators

    NASA Technical Reports Server (NTRS)

    Richter, Scott W.

    1991-01-01

    The objective of the advanced concentrator program is to develop the technology that will lead to lightweight, highly reflective, accurate, scaleable, and long lived space solar dynamic concentrators. The advanced concentrator program encompasses new and innovative concepts, fabrication techniques, materials selection, and simulated space environmental testing. Fabrication techniques include methods of fabricating the substrates and coating substrate surfaces to produce high quality optical surfaces, acceptable for further coating with vapor deposited optical films. The selected materials to obtain a high quality optical surface include microsheet glass and Eccocoat EP-3 epoxy, with DC-93-500 selected as a candidate silicone adhesive and levelizing layer. The following procedures are defined: cutting, cleaning, forming, and bonding microsheet glass. Procedures are also defined for surface cleaning, and EP-3 epoxy application. The results and analyses from atomic oxygen and thermal cycling tests are used to determine the effects of orbital conditions in a space environment.

  10. SVD-Based Technique for Interference Cancellation and Noise Reduction in NMR Measurement of Time-Dependent Magnetic Fields

    PubMed Central

    Chen, Wenjun; Ma, Hong; Yu, De; Zhang, Hua

    2016-01-01

    A nuclear magnetic resonance (NMR) experiment for measurement of time-dependent magnetic fields was introduced. To improve the signal-to-interference-plus-noise ratio (SINR) of NMR data, a new method for interference cancellation and noise reduction (ICNR) based on singular value decomposition (SVD) was proposed. The singular values corresponding to the radio frequency interference (RFI) signal were identified in terms of the correlation between the FID data and the reference data, and then the RFI and noise were suppressed by setting the corresponding singular values to zero. The validity of the algorithm was verified by processing the measured NMR data. The results indicated that, this method has a significantly suppression of RFI and random noise, and can well preserve the FID signal. At present, the major limitation of the proposed SVD-based ICNR technique is that the threshold value for interference cancellation needs to be manually selected. Finally, the inversion waveform of the applied alternating magnetic field was given by fitting the processed experimental data. PMID:26959024

  11. SVD-Based Technique for Interference Cancellation and Noise Reduction in NMR Measurement of Time-Dependent Magnetic Fields.

    PubMed

    Chen, Wenjun; Ma, Hong; Yu, De; Zhang, Hua

    2016-03-04

    A nuclear magnetic resonance (NMR) experiment for measurement of time-dependent magnetic fields was introduced. To improve the signal-to-interference-plus-noise ratio (SINR) of NMR data, a new method for interference cancellation and noise reduction (ICNR) based on singular value decomposition (SVD) was proposed. The singular values corresponding to the radio frequency interference (RFI) signal were identified in terms of the correlation between the FID data and the reference data, and then the RFI and noise were suppressed by setting the corresponding singular values to zero. The validity of the algorithm was verified by processing the measured NMR data. The results indicated that, this method has a significantly suppression of RFI and random noise, and can well preserve the FID signal. At present, the major limitation of the proposed SVD-based ICNR technique is that the threshold value for interference cancellation needs to be manually selected. Finally, the inversion waveform of the applied alternating magnetic field was given by fitting the processed experimental data.

  12. Advanced thermal management techniques for space power electronics

    NASA Astrophysics Data System (ADS)

    Reyes, Angel Samuel

    1992-01-01

    Modern electronic systems used in space must be reliable and efficient with thermal management unaffected by outer space constraints. Current thermal management techniques are not sufficient for the increasing waste heat dissipation of novel electronic technologies. Many advanced thermal management techniques have been developed in recent years that have application in high power electronic systems. The benefits and limitations of emerging cooling technologies are discussed. These technologies include: liquid pumped devices, mechanically pumped two-phase cooling, capillary pumped evaporative cooling, and thermoelectric devices. Currently, liquid pumped devices offer the most promising alternative for electronics thermal control.

  13. Data Compression Techniques for Advanced Space Transportation Systems

    NASA Technical Reports Server (NTRS)

    Bradley, William G.

    1998-01-01

    Advanced space transportation systems, including vehicle state of health systems, will produce large amounts of data which must be stored on board the vehicle and or transmitted to the ground and stored. The cost of storage or transmission of the data could be reduced if the number of bits required to represent the data is reduced by the use of data compression techniques. Most of the work done in this study was rather generic and could apply to many data compression systems, but the first application area to be considered was launch vehicle state of health telemetry systems. Both lossless and lossy compression techniques were considered in this study.

  14. Advance techniques for monitoring human tolerance to positive Gz accelerations

    NASA Technical Reports Server (NTRS)

    Pelligra, R.; Sandler, H.; Rositano, S.; Skrettingland, K.; Mancini, R.

    1973-01-01

    Tolerance to positive g accelerations was measured in ten normal male subjects using both standard and advanced techniques. In addition to routine electrocardiogram, heart rate, respiratory rate, and infrared television, monitoring techniques during acceleration exposure included measurement of peripheral vision loss, noninvasive temporal, brachial, and/or radial arterial blood flow, and automatic measurement of indirect systolic and diastolic blood pressure at 60-sec intervals. Although brachial and radial arterial flow measurements reflected significant cardiovascular changes during and after acceleration, they were inconsistent indices of the onset of grayout or blackout. Temporal arterial blood flow, however, showed a high correlation with subjective peripheral light loss.

  15. Three-dimensional hybrid grid generation using advancing front techniques

    NASA Technical Reports Server (NTRS)

    Steinbrenner, John P.; Noack, Ralph W.

    1995-01-01

    A new 3-dimensional hybrid grid generation technique has been developed, based on ideas of advancing fronts for both structured and unstructured grids. In this approach, structured grids are first generate independently around individual components of the geometry. Fronts are initialized on these structure grids, and advanced outward so that new cells are extracted directly from the structured grids. Employing typical advancing front techniques, cells are rejected if they intersect the existing front or fail other criteria When no more viable structured cells exist further cells are advanced in an unstructured manner to close off the overall domain, resulting in a grid of 'hybrid' form. There are two primary advantages to the hybrid formulation. First, generating blocks with limited regard to topology eliminates the bottleneck encountered when a multiple block system is used to fully encapsulate a domain. Individual blocks may be generated free of external constraints, which will significantly reduce the generation time. Secondly, grid points near the body (presumably with high aspect ratio) will still maintain a structured (non-triangular or tetrahedral) character, thereby maximizing grid quality and solution accuracy near the surface.

  16. Strategies and advanced techniques for marine pollution studies

    SciTech Connect

    Giam, C.S.; Dou, H.J.M.

    1986-01-01

    Here is a review of strategies and techniques for evaluating marine pollution by hazardous organic compounds. Geo-chemical considerations such as the relationship between the inputs, atmospheric and estuarine transport, and the outputs, sedimentation and degradation, guide the decision on appropriate approaches to pollution monitoring in the marine environment. The latest instrumental methods and standard protocols for analysis of organic compounds are presented, as well as advances in interpretation and correlation of data made possible by the accessibility of commercial data bases.

  17. Advanced endoscopic ultrasound management techniques for preneoplastic pancreatic cystic lesions

    PubMed Central

    Arshad, Hafiz Muhammad Sharjeel; Bharmal, Sheila; Duman, Deniz Guney; Liangpunsakul, Suthat; Turner, Brian G

    2017-01-01

    Pancreatic cystic lesions can be benign, premalignant or malignant. The recent increase in detection and tremendous clinical variability of pancreatic cysts has presented a significant therapeutic challenge to physicians. Mucinous cystic neoplasms are of particular interest given their known malignant potential. This review article provides a brief but comprehensive review of premalignant pancreatic cystic lesions with advanced endoscopic ultrasound (EUS) management approaches. A comprehensive literature search was performed using PubMed, Cochrane, OVID and EMBASE databases. Preneoplastic pancreatic cystic lesions include mucinous cystadenoma and intraductal papillary mucinous neoplasm. The 2012 International Sendai Guidelines guide physicians in their management of pancreatic cystic lesions. Some of the advanced EUS management techniques include ethanol ablation, chemotherapeutic (paclitaxel) ablation, radiofrequency ablation and cryotherapy. In future, EUS-guided injections of drug-eluting beads and neodymium:yttrium aluminum agent laser ablation is predicted to be an integral part of EUS-guided management techniques. In summary, International Sendai Consensus Guidelines should be used to make a decision regarding management of pancreatic cystic lesions. Advanced EUS techniques are proving extremely beneficial in management, especially in those patients who are at high surgical risk. PMID:27574295

  18. Integrating Diffraction, Advanced Microscopy and NMR Methods to Explore NOM-Mineral-Cation Interactions

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, R. J.; Bowers, G.; Ferguson, B.; Argersinger, H.; Venkateswara, U.; Arey, B.; Bowden, M. E.

    2014-12-01

    Combined 43Ca nuclear magnetic resonance (NMR), X-ray diffraction (XRD), and helium ion microscopy (HeIM) results provide novel insight into the interactions among NOM mineral (smectite) surfaces, dissolved ions, and water; and the effect of hydration state and pH on these interactions. The molecular-scale 43Ca NMR results for a Ca-smectite-Suwannee River NOM-H2O system suggests that Ca2+ in smectite-NOM composites behaves more like Ca2+ in smectites without NOM than Ca2+ in NOM alone also support the idea that much of the Ca2+ in the composites bridges between the NOM and the mineral surface. The NMR results also show that the NOM protonation state (pH) during composite synthesis has little effect on the local molecular-scale coordination environment and dynamics of Ca2+ and that H2O activity is the most important control of composite basal spacing and ion dynamics. XRD results corroborate the formation of smectite-NOM composites and suggest significant cation-NOM association. With NOM present, there is loss of the (005) smectite reflection; no evidence of amorphous NOM; and growth of a broad peak near 3.5 Å, similar to the spacing observed in the benzene ring stacking of graphene. The XRD results also show that the composite materials expand upon exposure to H2O, suggesting that H2O has access to the interlayer spaces and cations. HeIM images offer an explanation as to why there is no pH-dependence in the Ca2+ molecular-scale behavior. Ca-smectite-NOM composites formed at pH 12 appear to be a relatively homogeneous on the <~100 nm scale, whereas composites formed by rapidly decreasing the pH from 12 to 2 show both composites and separate NOM aggregates with little porosity at scales >10 nm. It is likely the formation of NOM aggregates is dominated by hydrophobic interactions that exclude Ca2+ and thus that 43Ca NMR observes bridging Ca2+ similar to that in the pH 12 samples.

  19. Deteriorated hardened cement paste structure analyzed by XPS and {sup 29}Si NMR techniques

    SciTech Connect

    Kurumisawa, Kiyofumi; Nawa, Toyoharu; Owada, Hitoshi; Shibata, Masahito

    2013-10-15

    In this report, X-ray photoelectron spectroscopy (XPS) and {sup 29}Si-MAS-NMR was used for the evaluation of deteriorated hardened cement pastes. The deterioration by ammonium nitrate solution was accompanied by changes in the pore structure as well as by structural changes in the C–S–H in the hardened cement paste. The CaO/SiO{sub 2} ratio of the C–S–H decreased with the progress of deterioration, there was also polymerization of the silicate in the C–S–H. It was confirmed that the degree of polymerization of silicate of the C–S–H in hardened cement paste can be determined by XPS. It was also shown that the polymerization depends on the structure of the C–S–H. -- Highlights: •The polymerization of silicate of the C–S–H in the HCP can be observed by XPS. •The structure of C–S–H changed with the degree of calcium leaching. •The NMR result about silicate in C–S–H was in good agreement with the XPS result.

  20. [Interactions between proteins and cation exchange adsorbents analyzed by NMR and hydrogen/deuterium exchange technique].

    PubMed

    Wang, Kang; Hao, Dongxia; Qi, Shuting; Ma, Guanghui

    2014-09-01

    In silico acquirement of the accurate residue details of protein on chromatographic media is a bottleneck in protein chromatography separation and purification. Here we developed a novel approach by coupling with H/D exchange and nuclear magnetic resonance to observe hen egg white lysozyme (HEWL) unfolding behavior adsorbed on cation exchange media (SP Sepharose FF). Analysis of 1D 1H-NMR shows that protein unfolding accelerated H/D exchange rate, leading to more loss of signal of amide hydrogen owing to exposure of residues and the more unfolding of protein. Analysis of two-dimensional hydrogen-hydrogen total correlation spectroscopy shows that lysozyme lost more signals and experienced great unfolding during its adsorption on media surface. However, for several distinct fragments, the protection degrees varied, the adsorbed lysozyme lost more signal intensity and was less protected at disorder structures (coil, bend, and turn), but was comparatively more protected against exchange at secondary structure domains (α-helix, β-sheet). Finally, the binding site was determined by electrostatic calculations using computer simulation methods in conjunction with hydrogen deuterium labeled protein and NMR. This study would help deeply understand the microscopic mechanism of protein chromatography and guide the purposely design of chromatographic process and media. Moreover, it also provide an effective tool to study the protein and biomaterials interaction in other applications.

  1. Synthesis of prostanoids; enantiomeric purity of alcohols by a /sup 31/P NMR technique

    SciTech Connect

    Penning, T.D.

    1985-01-01

    The enone, 2,2-diemthyl-3a..beta.., 6a..beta..-dihydro-4H-cyclopenta-1,3-dioxol-4-one, has been synthesized in six steps from cyclopentadiene, resolved using sulfoximine chemistry, and converted into (-)-prostaglandin E/sub 2/ methyl ester in three steps. Introduction of the optically pure omega side-chain using a conjugate addition of a stabilized organocopper reagent, followed by direct alkylation of the enolate with the ..cap alpha.. side-chain allylic iodide in the presence of hexamethylphosphoramide, afforded a trans, vicinally disubstituted cyclopentanone. Deprotection of the C-15 alcohol, followed by aluminum amalgam reduction of the C-10/oxygen bond, provided (-)-PGE/sub 2/ methyl ester in 47% overall yield from the enone. In an extension of previously described work, 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine 2-sulfide, prepared from l-ephedrine and thiophosphoryl chloride, was used to determine the enantiomeric excess of chiral alcohols in conjunction with /sup 31/P NMR. Chiral primary and secondary alcohols added quantitatively to the phospholidine to give diastereomers which could be analyzed by /sup 31/P NMR and HPLC. A number of other phosphorus heterocycles were also explored as potential chiral derivatizing reagents.

  2. Advanced computer modeling techniques expand belt conveyor technology

    SciTech Connect

    Alspaugh, M.

    1998-07-01

    Increased mining production is continuing to challenge engineers and manufacturers to keep up. The pressure to produce larger and more versatile equipment is increasing. This paper will show some recent major projects in the belt conveyor industry that have pushed the limits of design and engineering technology. Also, it will discuss the systems engineering discipline and advanced computer modeling tools that have helped make these achievements possible. Several examples of technologically advanced designs will be reviewed. However, new technology can sometimes produce increased problems with equipment availability and reliability if not carefully developed. Computer modeling techniques that help one design larger equipment can also compound operational headaches if engineering processes and algorithms are not carefully analyzed every step of the way.

  3. Advanced aeroservoelastic stabilization techniques for hypersonic flight vehicles

    NASA Technical Reports Server (NTRS)

    Chan, Samuel Y.; Cheng, Peter Y.; Myers, Thomas T.; Klyde, David H.; Magdaleno, Raymond E.; Mcruer, Duane T.

    1992-01-01

    Advanced high performance vehicles, including Single-Stage-To-Orbit (SSTO) hypersonic flight vehicles, that are statically unstable, require higher bandwidth flight control systems to compensate for the instability resulting in interactions between the flight control system, the engine/propulsion dynamics, and the low frequency structural modes. Military specifications, such as MIL-F-9490D and MIL-F-87242, tend to limit treatment of structural modes to conventional gain stabilization techniques. The conventional gain stabilization techniques, however, introduce low frequency effective time delays which can be troublesome from a flying qualities standpoint. These time delays can be alleviated by appropriate blending of gain and phase stabilization techniques (referred to as Hybrid Phase Stabilization or HPS) for the low frequency structural modes. The potential of using HPS for compensating structural mode interaction was previously explored. It was shown that effective time delay was significantly reduced with the use of HPS; however, the HPS design was seen to have greater residual response than a conventional gain stablized design. Additional work performed to advance and refine the HPS design procedure, to further develop residual response metrics as a basis for alternative structural stability specifications, and to develop strategies for validating HPS design and specification concepts in manned simulation is presented. Stabilization design sensitivity to structural uncertainties and aircraft-centered requirements are also assessed.

  4. Advanced NMR approaches in the characterization of coal. [Quarterly] report No. 8

    SciTech Connect

    Maciel, G.E.

    1992-12-31

    The paper submitted earlier on the use of (bicyclo[3.2.1]4pyrrolidino-N-methyl-octan-8-one triflate) ({sup 13}CO-123) as a {sup 13}C intensity standard was accepted for publication. Subsequently, {sup 13}CO-321 was used in this manner for quantitative {sup 13}C CP-MAS NMR analysis (including spin counting) of Argonne Premium coals. The cross-polarization time constants, T{sub CH}, and the rotating-frame proton spin-lattice relaxation times, T{sub 1p}{sup H}, were determined for each major peak of each coal via a combination of variable contact-time and variable spin-lock (T{sub 1p}{sup H}) experiments. Two or three components of rotating-frame {sup 1}H relaxation decay and two or three components of T{sub CH} behavior were observed for each major {sup 13}C peak of each coal. These data were used to determine the number of carbon atoms detected in each coal; these values are in the range between 77% and 87% of the amount of carbon known to be in each coal from elemental analysis data, except for Pocahontas No. 3, for which only 50% of the carbon was detected. In an attempt to use {sup 1}H CRAMPS to elucidate chemical functionality in coal, pyridine-saturated samples of the Argonne Premium coals were examined in detail in terms of their {sup 1}H CRAMPS NMR spectra. These spectra were deconvoluted to yield relative concentrations for individual peaks.

  5. Testing aspects of advanced coherent electron cooling technique

    SciTech Connect

    Litvinenko, V.; Jing, Y.; Pinayev, I.; Wang, G.; Samulyak, R.; Ratner, D.

    2015-05-03

    An advanced version of the Coherent-electron Cooling (CeC) based on the micro-bunching instability was proposed. This approach promises significant increase in the bandwidth of the CeC system and, therefore, significant shortening of cooling time in high-energy hadron colliders. In this paper we present our plans of simulating and testing the key aspects of this proposed technique using the set-up of the coherent-electron-cooling proof-of-principle experiment at BNL.

  6. Porous Structure of Pharmaceutical Tablets Studied Using PGSTE-NMR Technique

    NASA Astrophysics Data System (ADS)

    Porion, Patrice; Tchoreloff, Pierre; Busignies, Virginie; Leclerc, Bernard; Evesque, Pierre

    2009-06-01

    The compaction of pharmaceutical tablets at high pressure (250 MPa) is a complex process that depends on the nature of the chemical compound. The purpose of this work is to characterize the porous structure of tablets obtained by uniaxial compaction, the most used process in pharmaceutical technology. First, three pharmaceutical excipients (microcrystalline cellulose, lactose and anhydrous calcium phosphate) were compacted and their compressibility properties determined. Secondly, the study of the self-diffusion process of a molecular fluid inside the pore space was performed by using pulsed-gradient stimulated-echo (PGSTE) NMR method, for tablets compacted under various pressure, in the directions perpendicular and parallel to the compaction axis. The results are used to determine the tortuosity factor and the anisotropy of the porous space of such compacted materials.

  7. Fluorine-19 or phosphorus-31 NMR spectroscopy: a suitable analytical technique for quantitative in vitro metabolic studies of fluorinated or phosphorylated drugs.

    PubMed

    Martino, Robert; Gilard, Véronique; Desmoulin, Franck; Malet-Martino, Myriam

    2005-08-10

    Fluorine-19 or phosphorus-31 NMR (19F NMR or 31P NMR) spectroscopy provides a highly specific tool for identification of fluorine- or phosphorus-containing drugs and their metabolites in biological media as well as a suitable analytical technique for their absolute quantification. This article focuses on the application of in vitro 19F or 31P NMR to the quantitative metabolic studies of some fluoropyrimidine or oxazaphosphorine drugs in clinical use. The first part presents an overview of the advantages (non-destructive and non-selective direct quantitative study of the biological matrices) and limitations (expensive cost of the spectrometers, limited mass or concentration sensitivity) of NMR spectroscopy. The second part deals with the criteria to be considered for successful quantification by NMR (uniform excitation over the entire spectral width of the spectrum, resonance signals properly characterised by taking into account T1 values and avoiding NOE enhancements, optimisation of the data processing, choice of a suitable standard reference). The third and fourth parts report some examples of quantification of 5-fluorouracil, its prodrug capecitabine, 5-fluorocytosine and their metabolites in bulk solutions (biofluids, tissue extracts, perfusates and culture media) and heterogeneous media (excised tissues and packed intact cells) as well as cyclophosphamide and ifosfamide in biofluids. These two parts emphasise the high potential of in vitro 19F or 31P NMR for absolute quantification, in a single run, of all the fluorine- or phosphorus-containing species in the matrices analysed. The limit of quantification in bulk solutions is 1-3 microM for 19F NMR and approximately 10 microM for 31P NMR. In heterogeneous media analysed with 19F NMR, it is 2-5 nmol in excised tissues and cell pellets.

  8. Chemical structures of swine-manure chars produced under different carbonization conditions investigated by advanced solid-state 13C nuclear magnetic resonance (NMR) spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two types of swine manure chars, hydrothermally-produced hydrochar and slow-pyrolysis pyrochar, and their raw swine manure solid were characterized using advanced 13C solid-state nuclear magnetic resonance (NMR) spectroscopy. Compared with the parent raw swine manure, both hydrochars and pyrochar di...

  9. Recent Advances in Techniques for Hyperspectral Image Processing

    NASA Technical Reports Server (NTRS)

    Plaza, Antonio; Benediktsson, Jon Atli; Boardman, Joseph W.; Brazile, Jason; Bruzzone, Lorenzo; Camps-Valls, Gustavo; Chanussot, Jocelyn; Fauvel, Mathieu; Gamba, Paolo; Gualtieri, Anthony; Marconcini, Mattia; Tilton, James C.; Trianni, Giovanna

    2009-01-01

    Imaging spectroscopy, also known as hyperspectral imaging, has been transformed in less than 30 years from being a sparse research tool into a commodity product available to a broad user community. Currently, there is a need for standardized data processing techniques able to take into account the special properties of hyperspectral data. In this paper, we provide a seminal view on recent advances in techniques for hyperspectral image processing. Our main focus is on the design of techniques able to deal with the highdimensional nature of the data, and to integrate the spatial and spectral information. Performance of the discussed techniques is evaluated in different analysis scenarios. To satisfy time-critical constraints in specific applications, we also develop efficient parallel implementations of some of the discussed algorithms. Combined, these parts provide an excellent snapshot of the state-of-the-art in those areas, and offer a thoughtful perspective on future potentials and emerging challenges in the design of robust hyperspectral imaging algorithms

  10. Advanced IMCW Lidar Techniques for ASCENDS CO2 Column Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, Joel; lin, bing; nehrir, amin; harrison, fenton; obland, michael

    2015-04-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation.

  11. Aesthetic Lateral Canthoplasty Using Tarso-Conjunctival Advancement Technique.

    PubMed

    Lee, Eun Jung; Lew, Dae Hyun; Song, Seung Han; Lee, Myung Chul

    2017-01-01

    Reduced horizontal length of the palpebral fissure is a distinctive characteristic of Asian eyelids, and aesthetic lateral canthal lengthening techniques have been performed for a refinement. The aim of this study is to describe a novel lateral canthoplasty using tarso-conjunctival advancement with a lid margin splitting procedure on the upper eyelids and to report the postoperative results. From December 2011 to June 2014, patients who underwent lateral canthoplasty using the tarso-conjunctival advancement procedure for aesthetic purposes were reviewed retrospectively. The predictor variables were grouped into demographic and operative categories. The primary outcome variables were the distances from the mid-pupillary line to the lateral canthus and the horizontal length of the palpebral aperture (distance from the medial to lateral canthus). Data analyses were performed using descriptive and univariate statistics. Patients who showed increment in objective measurements were considered significant. Aesthetic appearance was also evaluated based on pre- and postoperative clinical photographs. A total of 45 patients were enrolled in this study. Both the distance from the mid-pupil to the lateral canthus (ΔDpupil-lateral; 2.78 ± 0.54 mm, P <0.05) and the palpebral aperture horizontal length (ΔDmedial-lateral 2.93 ± 0.81 mm, P <0.05) increased significantly from pre- to postoperative state. All the patients demonstrated satisfactory results aesthetically during the follow-up. The tarso-conjunctival advancement technique for lateral canthoplasty produced satisfactory aesthetic results with an enlarged palpebral aperture. Future research is required to fully delineate the risk of possible complications, including injury to the eyelashes and meibomian glands.

  12. Quantitative measurement of regional blood flow with gadolinium diethylenetriaminepentaacetate bolus track NMR imaging in cerebral infarcts in rats: validation with the iodo[14C]antipyrine technique.

    PubMed Central

    Wittlich, F; Kohno, K; Mies, G; Norris, D G; Hoehn-Berlage, M

    1995-01-01

    NMR bolus track measurements were correlated with autoradiographically determined regional cerebral blood flow (rCBF). The NMR method is based on bolus infusion of the contrast agent gadolinium diethylenetriaminepentaacetate and high-speed T*2-sensitive NMR imaging. The first pass of the contrast agent through the image plane causes a transient decrease of the signal intensity. This time course of the signal intensity is transformed into relative concentrations of the contrast agent in each pixel. The mean transit time and relative blood flow and volume are calculated from such indicator dilution curves. We investigated whether this NMR technique correctly expresses the relative rCBF. The relative blood flow data, calculated from NMR bolus track experiments, and the absolute values of iodo[14C]antipyrine autoradiography were compared. A linear relationship was observed, indicating the proportionality of the transient NMR signal change with CBF. Excellent interindividual reproducibility of calibration constants is observed (r = 0.963). For a given NMR protocol, bolus track measurements calibrated with autoradiography after the experiment allow determination of absolute values for rCBF and regional blood volume. Images Fig. 2 Fig. 3 PMID:7892189

  13. Biomolecular NMR using a microcoil NMR probe--new technique for the chemical shift assignment of aromatic side chains in proteins.

    PubMed

    Peti, Wolfgang; Norcross, James; Eldridge, Gary; O'Neil-Johnson, Mark

    2004-05-12

    A specially designed microcoil probe for use in biomolecular NMR spectroscopy is presented. The microcoil probe shows a mass-based sensitivity increase of a minimal factor of 7.5, allowing for the first time routine biomolecular NMR spectroscopy with microgram amounts of proteins. In addition, the exceptional radio frequency capabilities of this probe allowed us to record an aliphatic-aromatic HCCH-TOCSY spectrum for the first time. Using this spectrum, the side chains of aliphatic and aromatic amino acids can be completely assigned using only a single experiment. Using the conserved hypothetical protein TM0979 from Thermotoga maritima, we demonstrate the capabilities of this microcoil NMR probe to completely pursue the sequence specific backbone assignment with less than 500 microg of (13)C,(15)N labeled protein.

  14. In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors.

    PubMed

    Griffin, John M; Forse, Alexander C; Tsai, Wan-Yu; Taberna, Pierre-Louis; Simon, Patrice; Grey, Clare P

    2015-08-01

    Supercapacitors store charge through the electrosorption of ions on microporous electrodes. Despite major efforts to understand this phenomenon, a molecular-level picture of the electrical double layer in working devices is still lacking as few techniques can selectively observe the ionic species at the electrode/electrolyte interface. Here, we use in situ NMR to directly quantify the populations of anionic and cationic species within a working microporous carbon supercapacitor electrode. Our results show that charge storage mechanisms are different for positively and negatively polarized electrodes for the electrolyte tetraethylphosphonium tetrafluoroborate in acetonitrile; for positive polarization charging proceeds by exchange of the cations for anions, whereas for negative polarization, cation adsorption dominates. In situ electrochemical quartz crystal microbalance measurements support the NMR results and indicate that adsorbed ions are only partially solvated. These results provide new molecular-level insight, with the methodology offering exciting possibilities for the study of pore/ion size, desolvation and other effects on charge storage in supercapacitors.

  15. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project during the past reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines the authors are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. The authors have been reinvestigating the prospects of using zero field NMR types of techniques for two dimensional NMR structural analysis of complex organic solids such as coals. Currently MAS spin rates are not sufficiently high to permit zero field in high field NMR for protons in typical organic solids, however they are compatible with {sup 13}C-{sup 13}C dipolar couplings. In collaboration with Dr. Robert Tycko of AT T Bell Laboratories, inventor of the zero field in high field NMR method, the authors have performed the first zero field in high field {sup 13}C NMR experiments. These results are described. 9 refs., 2 figs.

  16. Advanced Techniques for Removal of Retrievable Inferior Vena Cava Filters

    SciTech Connect

    Iliescu, Bogdan; Haskal, Ziv J.

    2012-08-15

    Inferior vena cava (IVC) filters have proven valuable for the prevention of primary or recurrent pulmonary embolism in selected patients with or at high risk for venous thromboembolic disease. Their use has become commonplace, and the numbers implanted increase annually. During the last 3 years, in the United States, the percentage of annually placed optional filters, i.e., filters than can remain as permanent filters or potentially be retrieved, has consistently exceeded that of permanent filters. In parallel, the complications of long- or short-term filtration have become increasingly evident to physicians, regulatory agencies, and the public. Most filter removals are uneventful, with a high degree of success. When routine filter-retrieval techniques prove unsuccessful, progressively more advanced tools and skill sets must be used to enhance filter-retrieval success. These techniques should be used with caution to avoid damage to the filter or cava during IVC retrieval. This review describes the complex techniques for filter retrieval, including use of additional snares, guidewires, angioplasty balloons, and mechanical and thermal approaches as well as illustrates their specific application.

  17. New insights from MALDI-ToF MS, NMR, and GC-MS: mass spectrometry techniques applied to palynology.

    PubMed

    Moore, S E M; Hemsley, A R; French, A N; Dudley, E; Newton, R P

    2006-08-01

    The present study for the first time describes the application of matrix-assisted laser desorption ionisation time-of-flight mass spectrometry (MALDI-ToF MS) to palynology. With an accessible mass range of up to about 350,000 Da at subpicomolar range, this technique is ideal for the characterisation of bio-macromolecules, such as sporopollenin, found in fossil and extant pollen and spore walls, which often can only be isolated in very small quantities. At this stage, the limited solubility of sporopollenin allows for the identification of sections of this biopolymer, but with the optimisation of MALDI-ToF matrices, further structure elucidation will become possible. Furthermore, gas chromatography-mass spectrometry (GC-MS) and (1)H nuclear magnetic resonance ((1)H NMR) spectroscopy data obtained from a number of experiments revealed that some previously reported data were misinterpreted. These results add support to the hypothesis that common plasticizers were wrongly described as sporopollenin compounds.

  18. Advanced Synchrotron Techniques at High Pressure Collaborative Access Team (HPCAT)

    NASA Astrophysics Data System (ADS)

    Shen, G.; Sinogeikin, S. V.; Chow, P.; Kono, Y.; Meng, Y.; Park, C.; Popov, D.; Rod, E.; Smith, J.; Xiao, Y.; Mao, H.

    2012-12-01

    High Pressure Collaborative Access Team (HPCAT) is dedicated to advancing cutting-edge, multidisciplinary, high-pressure science and technology using synchrotron radiation at Sector 16 of the Advanced Photon Source (APS) of Argonne National Laboratory. At HPCAT an array of novel x-ray diffraction and spectroscopic techniques has been integrated with high pressure and extreme temperature instrumentation for studies of structure and materials properties at extreme conditions.. HPCAT consists of four active independent beamlines performing a large range of various experiments at extreme conditions. 16BM-B beamline is dedicated to energy dispersive and white Laue X-ray diffraction. The majority of experiments are performed with a Paris-Edinburgh large volume press (to 7GPa and 2500K) and include amorphous and liquid structure measurement, white beam radiography, elastic sound wave velocity measurement of amorphous solid materials, with viscosity and density measurement of liquid being under development. 16BM-D is a monochromatic diffraction beamline for powder and single crystal diffraction at high pressure and high (resistive heating) / low (cryostats) temperature. The additional capabilities include high-resolution powder diffraction and x-ray absorption near edge structure (XANES) spectroscopy. The insertion device beamline of HPCAT has two undulators in canted mode (operating independently) and LN cooled Si monochromators capable of providing a large range of energies. 16IDB is a microdiffraction beamline mainly focusing on high-pressure powder and single crystal diffraction in DAC at high temperatures (double-sided laser heating and resistive heating) and low temperature (various cryostats). The modern instrumentation allows high-quality diffraction at megabar pressures from light element, fast experiments with pulsed laser heating, fast dynamic experiments with Pilatus detector, and so on. 16ID-D beamline is dedicated to x-ray scattering and spectroscopy research

  19. Advanced Fibre Bragg Grating and Microfibre Bragg Grating Fabrication Techniques

    NASA Astrophysics Data System (ADS)

    Chung, Kit Man

    Fibre Bragg gratings (FBGs) have become a very important technology for communication systems and fibre optic sensing. Typically, FBGs are less than 10-mm long and are fabricated using fused silica uniform phase masks which become more expensive for longer length or non-uniform pitch. Generally, interference UV laser beams are employed to make long or complex FBGs, and this technique introduces critical precision and control issues. In this work, we demonstrate an advanced FBG fabrication system that enables the writing of long and complex gratings in optical fibres with virtually any apodisation profile, local phase and Bragg wavelength using a novel optical design in which the incident angles of two UV beams onto an optical fibre can be adjusted simultaneously by moving just one optical component, instead of two optics employed in earlier configurations, to vary the grating pitch. The key advantage of the grating fabrication system is that complex gratings can be fabricated by controlling the linear movements of two translation stages. In addition to the study of advanced grating fabrication technique, we also focus on the inscription of FBGs written in optical fibres with a cladding diameter of several ten's of microns. Fabrication of microfibres was investigated using a sophisticated tapering method. We also proposed a simple but practical technique to filter out the higher order modes reflected from the FBG written in microfibres via a linear taper region while the fundamental mode re-couples to the core. By using this technique, reflection from the microfibre Bragg grating (MFBG) can be effectively single mode, simplifying the demultiplexing and demodulation processes. MFBG exhibits high sensitivity to contact force and an MFBG-based force sensor was also constructed and tested to investigate their suitability for use as an invasive surgery device. Performance of the contact force sensor packaged in a conforming elastomer material compares favourably to one

  20. Advanced Cytologic Techniques for the Detection of Malignant Pancreatobiliary Strictures

    PubMed Central

    Moreno Luna, Laura E.; Kipp, Benjamin; Halling, Kevin C.; Sebo, Thomas J.; Kremers., Walter K.; Roberts, Lewis R.; Barr Fritcher, Emily G.; Levy, Michael J.; Gores, Gregory J.

    2006-01-01

    Background & Aims Two advanced cytologic techniques for detecting aneuploidy, digital image analysis (DIA) and fluorescence in situ hybridization (FISH) have recently been developed to help identify malignant pancreatobiliary strictures. The aim of this study was to assess the clinical utility of cytology, DIA, and FISH for the identification of malignant pancreatobiliary strictures. Methods Brush cytologic specimens from 233 consecutive patients undergoing ERCP for pancreatobiliary strictures were examined by all three techniques. Strictures were stratified as proximal (n=33) or distal (n=114) based on whether they occurred above or below the cystic duct, respectively. Strictures in patients with PSC (n=86) were analyzed separately. Results Despite the stratification, the performances of the tests were similar. Routine cytology has a low sensitivity (5–20%) but 100% specificity. Because of the high specificity for cytology, we assessed the performance of the other tests when routine cytology was negative. In this clinical context, FISH had an increased sensitivity (35–60%) when assessing for chromosomal gains (polysomy) while preserving the specificity of cytology. The sensitivity and specificity of DIA was intermediate as compared to routine cytology and FISH, but was additive to FISH values demonstrating only trisomy of chromosome 7 or chromosome 3. Conclusions These findings suggest that FISH and DIA increase the sensitivity for the diagnosis of malignant pancreatobiliary tract strictures over that obtained by conventional cytology while maintaining an acceptable specificity. PMID:17030177

  1. Recent Advances in Seismic Wavefront Tracking Techniques and Their Applications

    NASA Astrophysics Data System (ADS)

    Sambridge, M.; Rawlinson, N.; Hauser, J.

    2007-12-01

    In observational seismology, wavefront tracking techniques are becoming increasingly popular as a means of predicting two point traveltimes and their associated paths. Possible applications include reflection migration, earthquake relocation and seismic tomography at a wide variety of scales. Compared with traditional ray based techniques such as shooting and bending, wavefront tracking has the advantage of locating traveltimes between the source and every point in the medium; in many cases, improved efficiency and robustness; and greater potential for tracking multiple arrivals. In this presentation, two wavefront tracking techniques will be considered: the so-called Fast Marching Method (FMM), and a wavefront construction (WFC) scheme. Over the last several years, FMM has become a mature technique in seismology, with a number of improvements to the underlying theory and the release of software tools that allow it to be used in a variety of applications. At its core, FMM is a grid based solver that implicitly tracks a propagating wavefront by seeking finite difference solutions to the eikonal equation along an evolving narrow band. Recent developments include the use of source grid refinement to improve accuracy, the introduction of a multi-stage scheme to allow reflections and refractions to be tracked in layered media, and extension to spherical coordinates. Implementation of these ideas has led to a number of different applications, including teleseismic tomography, wide-angle reflection and refraction tomography, earthquake relocation, and ambient noise imaging using surface waves. The WFC scheme represents the wavefront surface as a set of points in 6-D phase space; these points are advanced in time using local initial value ray tracing in order to form a sequence of wavefront surfaces that fill the model volume. Surface refinement and simplification techniques inspired by recent developments in computer graphics are used to maintain a fixed density of nodes

  2. Litter decomposition over broad spatial and long time scales investigated by advanced solid-state NMR: insight into effects of climate, litter quality, and time

    NASA Astrophysics Data System (ADS)

    Mao, J.; Chen, N.; Harmon, M. E.; Li, Y.; Cao, X.; Chappell, M.

    2012-12-01

    Advanced 13C solid-state NMR techniques were employed to study the chemical structural changes of litter decomposition across broad spatial and long time scales. The fresh and decomposed litter samples of four species (Acer saccharum (ACSA), Drypetes glauca (DRGL), Pinus resinosa (PIRE), and Thuja plicata (THPL)) incubated for up to 10 years at four sites under different climatic conditions (from Arctic to tropical forest) were examined. Decomposition generally led to an enrichment of cutin and surface wax materials, and a depletion of carbohydrates causing overall composition to become more similar compared with original litters. However, the changes of main constituents in the four litters were inconsistent with the four litters following different pathways of decomposition at the same site. As decomposition proceeded, waxy materials decreased at the early stage and then gradually increased in PIRE; DRGL showed a significant depletion of lignin and tannin while the changes of lignin and tannin were relative small and inconsistent for ACSA and THPL. In addition, the NCH groups, which could be associated with either fungal cell wall chitin or bacterial wall petidoglycan, were enriched in all litters except THPL. Contrary to the classic lignin-enrichment hypothesis, DRGL with low-quality C substrate had the highest degree of composition changes. Furthermore, some samples had more "advanced" compositional changes in the intermediate stage of decomposition than in the highly-decomposed stage. This pattern might be attributed to the formation of new cross-linking structures, that rendered substrates more complex and difficult for enzymes to attack. Finally, litter quality overrode climate and time factors as a control of long-term changes of chemical composition.

  3. Magic Angle Spinning NMR of Viruses

    PubMed Central

    Quinn, Caitlin; Lu, Manman; Suiter, Christopher L.; Hou, Guangjin; Zhang, Huilan; Polenova, Tatyana

    2015-01-01

    Viruses, relatively simple pathogens, are able to replicate in many living organisms and to adapt to various environments. Conventional atomic-resolution structural biology techniques, X-ray crystallography and solution NMR spectroscopy provided abundant information on the structures of individual proteins and nucleic acids comprising viruses; however, viral assemblies are not amenable to analysis by these techniques because of their large size, insolubility, and inherent lack of long-range order. In this article, we review the recent advances in magic angle spinning NMR spectroscopy that enabled atomic-resolution analysis of structure and dynamics of large viral systems and give examples of several exciting case studies. PMID:25919197

  4. Using Essential Oils to Teach Advanced-Level Organic Chemistry Separation Techniques and Spectroscopy

    ERIC Educational Resources Information Center

    Bott, Tina M.; Wan, Hayley

    2013-01-01

    Students sometimes have difficulty grasping the importance of when and how basic distillation techniques, column chromatography, TLC, and basic spectroscopy (IR and NMR) can be used to identify unknown compounds within a mixture. This two-part experiment uses mixtures of pleasant-smelling, readily available terpenoid compounds as unknowns to…

  5. Advances in Poly(4-aminodiphenylaniline) Nanofibers Preparation by Electrospinning Technique.

    PubMed

    Della Pina, C; Busacca, C; Frontera, P; Antonucci, P L; Scarpino, L A; Sironi, A; Falletta, E

    2016-05-01

    Polyaniline (PANI) nanofibers are drawing a great deal of interest from academia and industry due to their multiple applications, especially in biomedical field. PANI nanofibers were successfully electrospun for the first time by MacDiarmid and co-workers at the beginning of the millennium and since then many efforts have been addressed to improve their quality. However, traditional PANI prepared from aniline monomer shows some drawbacks, such as presence of toxic (i.e., benzidine) and inorganic (salts and metals) co-products, that complicate polymer post-treatment, and low solubility in common organic solvents, making hard its processing by electrospinning technique. Some industrial sectors, such as medical and biomedical, need to employ materials free from toxic and polluting species. In this regard, the oxidative polymerization of N-(4-aminophenyl)aniline, aniline dimer, to produce poly(4-aminodiphenylaniline), P4ADA, a kind of PANI, represents an innovative alternative to the traditional synthesis because the obtained polymer results free from carcinogenic and/or polluting co-products, and, moreover, more soluble than traditional PANI. This latter feature can be exploited to obtain P4ADA nanofibers by electrospinning technique. In this paper we report the advances obtained in the P4ADA nanofibers electrospinnig. A comparison among polyethylene oxide (PEO), polymethyl methacrylate (PMMA) and polystyrene (PS), as the second polymer to facilitate the electrospinning process, is shown. In order to increase the conductivity of P4ADA nanofibers, two strategies were adopted and compared: selective insulating binder removal from electrospun nanofibers by a rinsing tratment, afterwards optimizing the minimum amount of binder necessary for the electrospinning process. Moreover, the effect of PEO/P4ADA weight ratio on the fibers morphology and conductivity was highlighted.

  6. A review of hemorheology: Measuring techniques and recent advances

    NASA Astrophysics Data System (ADS)

    Sousa, Patrícia C.; Pinho, Fernando T.; Alves, Manuel A.; Oliveira, Mónica S. N.

    2016-02-01

    Significant progress has been made over the years on the topic of hemorheology, not only in terms of the development of more accurate and sophisticated techniques, but also in terms of understanding the phenomena associated with blood components, their interactions and impact upon blood properties. The rheological properties of blood are strongly dependent on the interactions and mechanical properties of red blood cells, and a variation of these properties can bring further insight into the human health state and can be an important parameter in clinical diagnosis. In this article, we provide both a reference for hemorheological research and a resource regarding the fundamental concepts in hemorheology. This review is aimed at those starting in the field of hemodynamics, where blood rheology plays a significant role, but also at those in search of the most up-to-date findings (both qualitative and quantitative) in hemorheological measurements and novel techniques used in this context, including technical advances under more extreme conditions such as in large amplitude oscillatory shear flow or under extensional flow, which impose large deformations comparable to those found in the microcirculatory system and in diseased vessels. Given the impressive rate of increase in the available knowledge on blood flow, this review is also intended to identify areas where current knowledge is still incomplete, and which have the potential for new, exciting and useful research. We also discuss the most important parameters that can lead to an alteration of blood rheology, and which as a consequence can have a significant impact on the normal physiological behavior of blood.

  7. Advanced Techniques for Power System Identification from Measured Data

    SciTech Connect

    Pierre, John W.; Wies, Richard; Trudnowski, Daniel

    2008-11-25

    Time-synchronized measurements provide rich information for estimating a power-system's electromechanical modal properties via advanced signal processing. This information is becoming critical for the improved operational reliability of interconnected grids. A given mode's properties are described by its frequency, damping, and shape. Modal frequencies and damping are useful indicators of power-system stress, usually declining with increased load or reduced grid capacity. Mode shape provides critical information for operational control actions. This project investigated many advanced techniques for power system identification from measured data focusing on mode frequency and damping ratio estimation. Investigators from the three universities coordinated their effort with Pacific Northwest National Laboratory (PNNL). Significant progress was made on developing appropriate techniques for system identification with confidence intervals and testing those techniques on field measured data and through simulation. Experimental data from the western area power system was provided by PNNL and Bonneville Power Administration (BPA) for both ambient conditions and for signal injection tests. Three large-scale tests were conducted for the western area in 2005 and 2006. Measured field PMU (Phasor Measurement Unit) data was provided to the three universities. A 19-machine simulation model was enhanced for testing the system identification algorithms. Extensive simulations were run with this model to test the performance of the algorithms. University of Wyoming researchers participated in four primary activities: (1) Block and adaptive processing techniques for mode estimation from ambient signals and probing signals, (2) confidence interval estimation, (3) probing signal design and injection method analysis, and (4) performance assessment and validation from simulated and field measured data. Subspace based methods have been use to improve previous results from block processing

  8. Pediatric Cardiopulmonary Resuscitation: Advances in Science, Techniques, and Outcomes

    PubMed Central

    Topjian, Alexis A.; Berg, Robert A.; Nadkarni, Vinay M.

    2009-01-01

    More than 25% of children survive to hospital discharge after in-hospital cardiac arrests, and 5% to 10% survive after out-of-hospital cardiac arrests. This review of pediatric cardiopulmonary resuscitation addresses the epidemiology of pediatric cardiac arrests, mechanisms of coronary blood flow during cardiopulmonary resuscitation, the 4 phases of cardiac arrest resuscitation, appropriate interventions during each phase, special resuscitation circumstances, extracorporeal membrane oxygenation cardiopulmonary resuscitation, and quality of cardiopulmonary resuscitation. The key elements of pathophysiology that impact and match the timing, intensity, duration, and variability of the hypoxic-ischemic insult to evidence-based interventions are reviewed. Exciting discoveries in basic and applied-science laboratories are now relevant for specific subpopulations of pediatric cardiac arrest victims and circumstances (eg, ventricular fibrillation, neonates, congenital heart disease, extracorporeal cardiopulmonary resuscitation). Improving the quality of interventions is increasingly recognized as a key factor for improving outcomes. Evolving training strategies include simulation training, just-in-time and just-in-place training, and crisis-team training. The difficult issue of when to discontinue resuscitative efforts is addressed. Outcomes from pediatric cardiac arrests are improving. Advances in resuscitation science and state-of-the-art implementation techniques provide the opportunity for further improvement in outcomes among children after cardiac arrest. PMID:18977991

  9. Recommended advanced techniques for waterborne pathogen detection in developing countries.

    PubMed

    Alhamlan, Fatimah S; Al-Qahtani, Ahmed A; Al-Ahdal, Mohammed N

    2015-02-19

    The effect of human activities on water resources has expanded dramatically during the past few decades, leading to the spread of waterborne microbial pathogens. The total global health impact of human infectious diseases associated with pathogenic microorganisms from land-based wastewater pollution was estimated to be approximately three million disability-adjusted life years (DALY), with an estimated economic loss of nearly 12 billion US dollars per year. Although clean water is essential for healthy living, it is not equally granted to all humans. Indeed, people who live in developing countries are challenged every day by an inadequate supply of clean water. Polluted water can lead to health crises that in turn spread waterborne pathogens. Taking measures to assess the water quality can prevent these potential risks. Thus, a pressing need has emerged in developing countries for comprehensive and accurate assessments of water quality. This review presents current and emerging advanced techniques for assessing water quality that can be adopted by authorities in developing countries.

  10. Dissecting cell adhesion architecture using advanced imaging techniques

    PubMed Central

    Morton, Penny E

    2011-01-01

    Cell adhesion to extracellular matrix proteins or to other cells is essential for the control of embryonic development, tissue integrity, immune function and wound healing. Adhesions are tightly spatially regulated structures containing over one hundred different proteins that coordinate both dynamics and signaling events at these sites. Extensive biochemical and morphological analysis of adhesion types over the past three decades has greatly improved understanding of individual protein contributions to adhesion signaling and, in some cases, dynamics. However, it is becoming increasingly clear that these diverse macromolecular complexes contain a variety of protein sub-networks, as well as distinct sub-domains that likely play important roles in regulating adhesion behavior. Until recently, resolving these structures, which are often less than a micron in size, was hampered by the limitations of conventional light microscopy. However, recent advances in optical techniques and imaging methods have revealed exciting insight into the intricate control of adhesion structure and assembly. Here we provide an overview of the recent data arising from such studies of cell:matrix and cell:cell contact and an overview of the imaging strategies that have been applied to study the intricacies and hierarchy of proteins within adhesions. PMID:21785274

  11. Nanocrystalline materials: recent advances in crystallographic characterization techniques

    PubMed Central

    Ringe, Emilie

    2014-01-01

    Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR), the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask ‘how are nanoshapes created?’, ‘how does the shape relate to the atomic packing and crystallography of the material?’, ‘how can we control and characterize the external shape and crystal structure of such small nanocrystals?’. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed. PMID:25485133

  12. REVIEW ARTICLE: Emission measurement techniques for advanced powertrains

    NASA Astrophysics Data System (ADS)

    Adachi, Masayuki

    2000-10-01

    Recent developments in high-efficiency low-emission powertrains require the emission measurement technologies to be able to detect regulated and unregulated compounds with very high sensitivity and a fast response. For example, levels of a variety of nitrogen compounds and sulphur compounds should be analysed in real time in order to develop aftertreatment systems to decrease emission of NOx for the lean burning powertrains. Also, real-time information on the emission of particulate matter for the transient operation of diesel engines and direct injection gasoline engines is invaluable. The present paper reviews newly introduced instrumentation for such emission measurement that is demanded for the developments in advanced powertrain systems. They include Fourier transform infrared spectroscopy, mass spectrometry and fast response flame ionization detection. In addition, demands and applications of the fuel reformer developments for fuel cell electric vehicles are discussed. Besides the detection methodologies, sample handling techniques for the measurement of concentrations emitted from low emission vehicles for which the concentrations of the pollutants are significantly lower than the concentrations present in ambient air, are also described.

  13. Development of advanced strain diagnostic techniques for reactor environments.

    SciTech Connect

    Fleming, Darryn D.; Holschuh, Thomas Vernon,; Miller, Timothy J.; Hall, Aaron Christopher; Urrea, David Anthony,; Parma, Edward J.,

    2013-02-01

    The following research is operated as a Laboratory Directed Research and Development (LDRD) initiative at Sandia National Laboratories. The long-term goals of the program include sophisticated diagnostics of advanced fuels testing for nuclear reactors for the Department of Energy (DOE) Gen IV program, with the future capability to provide real-time measurement of strain in fuel rod cladding during operation in situ at any research or power reactor in the United States. By quantifying the stress and strain in fuel rods, it is possible to significantly improve fuel rod design, and consequently, to improve the performance and lifetime of the cladding. During the past year of this program, two sets of experiments were performed: small-scale tests to ensure reliability of the gages, and reactor pulse experiments involving the most viable samples in the Annulated Core Research Reactor (ACRR), located onsite at Sandia. Strain measurement techniques that can provide useful data in the extreme environment of a nuclear reactor core are needed to characterize nuclear fuel rods. This report documents the progression of solutions to this issue that were explored for feasibility in FY12 at Sandia National Laboratories, Albuquerque, NM.

  14. Nanocrystalline materials: recent advances in crystallographic characterization techniques.

    PubMed

    Ringe, Emilie

    2014-11-01

    Most properties of nanocrystalline materials are shape-dependent, providing their exquisite tunability in optical, mechanical, electronic and catalytic properties. An example of the former is localized surface plasmon resonance (LSPR), the coherent oscillation of conduction electrons in metals that can be excited by the electric field of light; this resonance frequency is highly dependent on both the size and shape of a nanocrystal. An example of the latter is the marked difference in catalytic activity observed for different Pd nanoparticles. Such examples highlight the importance of particle shape in nanocrystalline materials and their practical applications. However, one may ask 'how are nanoshapes created?', 'how does the shape relate to the atomic packing and crystallography of the material?', 'how can we control and characterize the external shape and crystal structure of such small nanocrystals?'. This feature article aims to give the reader an overview of important techniques, concepts and recent advances related to these questions. Nucleation, growth and how seed crystallography influences the final synthesis product are discussed, followed by shape prediction models based on seed crystallography and thermodynamic or kinetic parameters. The crystallographic implications of epitaxy and orientation in multilayered, core-shell nanoparticles are overviewed, and, finally, the development and implications of novel, spatially resolved analysis tools are discussed.

  15. Diffusion of Paramagnetically Labeled Proteins in Cartilage: Enhancement of the 1-D NMR Imaging Technique

    NASA Astrophysics Data System (ADS)

    Foy, Brent D.; Blake, Joseph

    2001-01-01

    Quantifying the diffusive transport of large molecules in avascular cartilage tissue is important both for planning potential pharamacological treatments and for gaining insight into the molecular-scale structure of cartilage. In this work, the diffusion coefficients of gadolinium-DTPA and Gd-labeled versions of four proteins-lysozyme, trypsinogen, ovalbumin, and bovine serum albumin (BSA) with molecular weights of 14,300, 24,000, 45,000, and 67,000, respectively-have been measured in healthy and degraded calf cartilage. The experimental technique relies on the effect of the paramagnetic on the relaxation properties of the surrounding water, combined with the time course of a 1-dimensional spatial profile of the water signal in the cartilage sample. The enhanced technique presented here does not require a prior measurement of the relaxivity of the paramagnetic compound in the sample of interest. The data are expressed as the ratio of the diffusion coefficient of a compound in cartilage to its diffusion coefficient in water. For healthy cartilage, this ratio was 0.34 ± 0.07 for Gd-DTPA, the smallest compound, and fell to 0.3 ± 0.1 for Gd-lysozyme, 0.08 ± 0.04 for Gd-trypsinogen, and 0.07 ± 0.04 for Gd-ovalbumin. Gd-BSA did not appear to enter healthy cartilage tissue beyond a surface layer. After the cartilage had been degraded by 24-h trypsinization, these ratios were 0.60 ± 0.03 for Gd-DTPA, 0.40 ± 0.08 for Gd-lysozyme, 0.42 ± 0.09 for Gd-trypsinogen, 0.16 ± 0.14 for Gd-ovalbumin, and 0.11 ± 0.05 for Gd-BSA. Thus, degradation of the cartilage led to increases in the diffusion coefficient of up to fivefold for the Gd-labeled proteins. These basic transport parameters yield insights on the nature of pore sizes and chemical-matrix interactions in the cartilage tissue and may prove diagnostically useful for identifying the degree and nature of damage to cartilage.

  16. Magic Angle Spinning NMR Spectroscopy: A Versatile Technique for Structural and Dynamic Analysis of Solid-Phase Systems

    PubMed Central

    Polenova, Tatyana; Gupta, Rupal; Goldbourt, Amir

    2016-01-01

    Magic Angle Spinning (MAS) NMR spectroscopy is a powerful method for analysis of a broad range of systems, including inorganic materials, pharmaceuticals, and biomacromolecules. The recent developments in MAS NMR instrumentation and methodologies opened new vistas to atomic-level characterization of a plethora of chemical environments previously inaccessible to analysis, with unprecedented sensitivity and resolution. PMID:25794311

  17. Facilitation of postischemic reperfusion with alpha-PBN: assessment using NMR and Doppler flow techniques.

    PubMed

    Schulz, J B; Panahian, N; Chen, Y I; Beal, M F; Moskowitz, M A; Rosen, B R; Jenkins, B G

    1997-04-01

    We examined the effects of the free radical spin trap N-tert-butyl-alpha-phenylnitrone (PBN) on focal cerebral ischemia/reperfusion injury in halothane-anesthetized rats. Ninety minutes after middle cerebral artery occlusion by an intraluminal filament, the artery was reperfused. Intravenous injections of 25 mg/kg PBN 5 min before and 30 min after insertion of the filament significantly attenuated the lesion volume measured 24 h after ischemia. During ischemia and during the first 30 min after reperfusion, cerebral blood volume and blood flow were measured by volume-sensitive and newly developed flow-sensitive magnetic resonance imaging (MRI) techniques and by laser-Doppler flowmetry. In all animals the area of decreased blood flow was larger than the area of decreased volume by a factor of 2.2. The area of the postreperfusion flow deficits matched the final lesion volumes at 24 h measured histologically much better than did the blood volume deficits in both saline and PBN-treated animals. Reperfusion led to a return of blood flow and volume to values close to the contralateral side in the PBN-treated animals, in contrast to the saline-treated control group. We conclude that in focal ischemia/reperfusion PBN provides protection of the vascular endothelium, leading to enhanced postischemic reperfusion. The implication of this is that the vascular endothelium may be a primary target for the damaging action of free radicals given the protection afforded by putative spin traps.

  18. ADVANCED TECHNIQUES FOR RESERVOIR SIMULATION AND MODELING OF NONCONVENTIONAL WELLS

    SciTech Connect

    Louis J. Durlofsky; Khalid Aziz

    2004-08-20

    Nonconventional wells, which include horizontal, deviated, multilateral and ''smart'' wells, offer great potential for the efficient management of oil and gas reservoirs. These wells are able to contact larger regions of the reservoir than conventional wells and can also be used to target isolated hydrocarbon accumulations. The use of nonconventional wells instrumented with downhole inflow control devices allows for even greater flexibility in production. Because nonconventional wells can be very expensive to drill, complete and instrument, it is important to be able to optimize their deployment, which requires the accurate prediction of their performance. However, predictions of nonconventional well performance are often inaccurate. This is likely due to inadequacies in some of the reservoir engineering and reservoir simulation tools used to model and optimize nonconventional well performance. A number of new issues arise in the modeling and optimization of nonconventional wells. For example, the optimal use of downhole inflow control devices has not been addressed for practical problems. In addition, the impact of geological and engineering uncertainty (e.g., valve reliability) has not been previously considered. In order to model and optimize nonconventional wells in different settings, it is essential that the tools be implemented into a general reservoir simulator. This simulator must be sufficiently general and robust and must in addition be linked to a sophisticated well model. Our research under this five year project addressed all of the key areas indicated above. The overall project was divided into three main categories: (1) advanced reservoir simulation techniques for modeling nonconventional wells; (2) improved techniques for computing well productivity (for use in reservoir engineering calculations) and for coupling the well to the simulator (which includes the accurate calculation of well index and the modeling of multiphase flow in the wellbore

  19. Weldability and joining techniques for advanced fossil energy system alloys

    SciTech Connect

    Lundin, C.D.; Qiao, C.Y.P.; Liu, W.; Yang, D.; Zhou, G.; Morrison, M.

    1998-05-01

    The efforts represent the concerns for the basic understanding of the weldability and fabricability of the advanced high temperature alloys so necessary to affect increases in the efficiency of the next generation Fossil Energy Power Plants. The effort was divided into three tasks with the first effort dealing with the welding and fabrication behavior of 310HCbN (HR3C), the second task details the studies aimed at understanding the weldability of a newly developed 310TaN high temperature stainless (a modification of 310 stainless) and Task 3 addressed the cladding of austenitic tubing with Iron-Aluminide using the GTAW process. Task 1 consisted of microstructural studies on 310HCbN and the development of a Tube Weldability test which has applications to production welding techniques as well as laboratory weldability assessments. In addition, the evaluation of ex-service 310HCbN which showed fireside erosion and cracking at the attachment weld locations was conducted. Task 2 addressed the behavior of the newly developed 310 TaN modification of standard 310 stainless steel and showed that the weldability was excellent and that the sensitization potential was minimal for normal welding and fabrication conditions. The microstructural evolution during elevated temperature testing was characterized and the second phase particles evolved upon aging were identified. Task 3 details the investigation undertaken to clad 310HCbN tubing with Iron Aluminide and developed welding conditions necessary to provide a crack free cladding. The work showed that both a preheat and a post-heat was necessary for crack free deposits and the effect of a third element on the cracking potential was defined together with the effect of the aluminum level for optimum weldability.

  20. Measurement of Solution Viscosity via Diffusion-Ordered NMR Spectroscopy (DOSY)

    ERIC Educational Resources Information Center

    Li, Weibin; Kagan, Gerald; Hopson, Russell; Williard, Paul G.

    2011-01-01

    Increasingly, the undergraduate chemistry curriculum includes nuclear magnetic resonance (NMR) spectroscopy. Advanced NMR techniques are often taught including two-dimensional gradient-based experiments. An investigation of intermolecular forces including viscosity, by a variety of methods, is often integrated in the undergraduate physical and…

  1. Investigation of joining techniques for advanced austenitic alloys

    SciTech Connect

    Lundin, C.D.; Qiao, C.Y.P.; Kikuchi, Y.; Shi, C.; Gill, T.P.S.

    1991-05-01

    Modified Alloys 316 and 800H, designed for high temperature service, have been developed at Oak Ridge National Laboratory. Assessment of the weldability of the advanced austenitic alloys has been conducted at the University of Tennessee. Four aspects of weldability of the advanced austenitic alloys were included in the investigation.

  2. Rotary echo nutation NMR

    NASA Astrophysics Data System (ADS)

    Janssen, R.; Tijink, G. A. H.; Veeman, W. S.

    1988-01-01

    A two-dimensional solid state NMR experiment which combines rotary echoes and nutation NMR is investigated and used to study different sodium sites in zeolite NaA. It is shown that with this technique sodium ions with different relaxation rates in the rotating frame can be distinguished.

  3. Recent advances in sample preparation techniques for effective bioanalytical methods.

    PubMed

    Kole, Prashant Laxman; Venkatesh, Gantala; Kotecha, Jignesh; Sheshala, Ravi

    2011-01-01

    This paper reviews the recent developments in bioanalysis sample preparation techniques and gives an update on basic principles, theory, applications and possibilities for automation, and a comparative discussion on the advantages and limitation of each technique. Conventional liquid-liquid extraction (LLE), protein precipitation (PP) and solid-phase extraction (SPE) techniques are now been considered as methods of the past. The last decade has witnessed a rapid development of novel sample preparation techniques in bioanalysis. Developments in SPE techniques such as selective sorbents and in the overall approach to SPE, such as hybrid SPE and molecularly imprinted polymer SPE, have been addressed. Considerable literature has been published in the area of solid-phase micro-extraction and its different versions, e.g. stir bar sorptive extraction, and their application in the development of selective and sensitive bioanalytical methods. Techniques such as dispersive solid-phase extraction, disposable pipette extraction and micro-extraction by packed sorbent offer a variety of extraction phases and provide unique advantages to bioanalytical methods. On-line SPE utilizing column-switching techniques is rapidly gaining acceptance in bioanalytical applications. PP sample preparation techniques such as PP filter plates/tubes offer many advantages like removal of phospholipids and proteins in plasma/serum. Newer approaches to conventional LLE techniques (salting-out LLE) are also covered in this review article.

  4. Chromatographic Separation and NMR An Integrated Approach in Pharmaceutical Development.

    PubMed

    Gonnella, Nina C

    2012-01-01

    Over the past 10 years, major improvements in the performance of LC-NMR have been realized. The addition of postcolumn SPE, advances in probe technology including cryogenic probes and microcoil probes, improved solvent suppression pulse sequences, and shielded magnets with better homogeneity have all contributed to rapid advancements in this technology. Application of LC-NMR to problems in pharmaceutical development has had a major impact on structure elucidation studies. LC-NMR has been successfully applied to determine the structures of degradation products, impurities, mixtures of compounds, and metabolites. Use of stop flow techniques with LC-NMR experiments has been a critical means of identifying unstable compounds and studying conformational kinetics. The integration of SPE as an intermediate step between the LC unit and the NMR spectrometer has vastly improved the power of the hyphenated technique in trace analysis applications. Online postcolumn enrichment of chromatographic peaks by SPE dramatically reduces the NMR acquisition times by allowing repeated injections to be trapped onto the same cartridge or different cartridges. Because protonated solvents can be easily removed with a drying procedure, solvents and buffers may be freely chosen for maximizing chromatographic separation without compromising NMR spectral quality. The compound of interest may then be eluted from an SPE cartridge using deuterated organic solvent, which helps to reduce dynamic range issues. When combined with cryogenically cooled microcapillary probes, the sensitivity of the NMR signal increases about 10-fold over conventional room temperature probes, enabling full structure characterization at the microgram level. Heteronuclear experiments with concentrations previously only possible in a limited number of cases have now become standard experiments. The availability of HSQC and HMBC experiments and microcoil/cryogenic technology opens the possibility of using LC-(SPE) NMR for the

  5. Advanced rehabilitation techniques for the multi-limb amputee.

    PubMed

    Harvey, Zach T; Loomis, Gregory A; Mitsch, Sarah; Murphy, Ian C; Griffin, Sarah C; Potter, Benjamin K; Pasquina, Paul

    2012-01-01

    Advances in combat casualty care have contributed to unprecedented survival rates of battlefield injuries, challenging the field of rehabilitation to help injured service members achieve maximal functional recovery and independence. Nowhere is this better illustrated than in the care of the multiple-limb amputee. Specialized medical, surgical, and rehabilitative interventions are needed to optimize the care of this unique patient population. This article describes lessons learned at Walter Reed National Military Medical Center Bethesda in providing advanced therapy and prosthetics for combat casualties, but provides guidelines for all providers involved in the care of individuals with amputation.

  6. Advanced froth flotation techniques for fine coal cleaning

    SciTech Connect

    Yoon, R.H.; Luttrell, G.H.

    1994-12-31

    Advanced column flotation cells offer many potential advantages for the treatment of fine coal. The most important of these is the ability to achieve high separation efficiencies using only a single stage of processing. Unfortunately, industrial flotation columns often suffer from poor recovery, low throughput and high maintenance requirements as compared to mechanically-agitated conventional cells. These problems can usually be attributed to poorly-designed air sparging systems. This article examines the problems of air sparging in greater detail and offers useful guidelines for designing bubble generators for industrial flotation columns. The application of these principles in the design of a successful advanced fine coal flotation circuit is also presented.

  7. Analytic Syntax: A Technique for Advanced Level Reading

    ERIC Educational Resources Information Center

    Berman, Ruth

    1975-01-01

    The technique explained here can increase a foreign student's awareness of English grammatical and rhetorical structures. Structural paraphrase is a syntactic reformulation of difficult phrases with minimal vocabulary changes. The technique is illustrated and suggestions are given for class presentation. (CHK)

  8. Recent advances in microscopic techniques for visualizing leukocytes in vivo

    PubMed Central

    Jain, Rohit; Tikoo, Shweta; Weninger, Wolfgang

    2016-01-01

    Leukocytes are inherently motile and interactive cells. Recent advances in intravital microscopy approaches have enabled a new vista of their behavior within intact tissues in real time. This brief review summarizes the developments enabling the tracking of immune responses in vivo. PMID:27239292

  9. Bricklaying Curriculum: Advanced Bricklaying Techniques. Instructional Materials. Revised.

    ERIC Educational Resources Information Center

    Turcotte, Raymond J.; Hendrix, Laborn J.

    This curriculum guide is designed to assist bricklaying instructors in providing performance-based instruction in advanced bricklaying. Included in the first section of the guide are units on customized or architectural masonry units; glass block; sills, lintels, and copings; and control (expansion) joints. The next two units deal with cut,…

  10. Advanced NDE techniques for quantitative characterization of aircraft

    NASA Technical Reports Server (NTRS)

    Heyman, Joseph S.; Winfree, William P.

    1990-01-01

    Recent advances in nondestructive evaluation (NDE) at NASA Langley Research Center and their applications that have resulted in quantitative assessment of material properties based on thermal and ultrasonic measurements are reviewed. Specific applications include ultrasonic determination of bolt tension, ultrasonic and thermal characterization of bonded layered structures, characterization of composite materials, and disbonds in aircraft skins.

  11. High-resolution, high-pressure NMR studies of proteins.

    PubMed Central

    Jonas, J; Ballard, L; Nash, D

    1998-01-01

    Advanced high-resolution NMR spectroscopy, including two-dimensional NMR techniques, combined with high pressure capability, represents a powerful new tool in the study of proteins. This contribution is organized in the following way. First, the specialized instrumentation needed for high-pressure NMR experiments is discussed, with specific emphasis on the design features and performance characteristics of a high-sensitivity, high-resolution, variable-temperature NMR probe operating at 500 MHz and at pressures of up to 500 MPa. An overview of several recent studies using 1D and 2D high-resolution, high-pressure NMR spectroscopy to investigate the pressure-induced reversible unfolding and pressure-assisted cold denaturation of lysozyme, ribonuclease A, and ubiquitin is presented. Specifically, the relationship between the residual secondary structure of pressure-assisted, cold-denatured states and the structure of early folding intermediates is discussed. PMID:9649405

  12. Backscattered Electron Microscopy as an Advanced Technique in Petrography.

    ERIC Educational Resources Information Center

    Krinsley, David Henry; Manley, Curtis Robert

    1989-01-01

    Three uses of this method with sandstone, desert varnish, and granite weathering are described. Background information on this technique is provided. Advantages of this type of microscopy are stressed. (CW)

  13. An advanced phantom study assessing the feasibility of neuronal current imaging by ultra-low-field NMR.

    PubMed

    Körber, Rainer; Nieminen, Jaakko O; Höfner, Nora; Jazbinšek, Vojko; Scheer, Hans-Jürgen; Kim, Kiwoong; Burghoff, Martin

    2013-12-01

    In ultra-low-field (ULF) NMR/MRI, a common scheme is to magnetize the sample by a polarizing field of up to hundreds of mT, after which the NMR signal, precessing in a field on the order of several μT, is detected with superconducting quantum interference devices (SQUIDs). In our ULF-NMR system, we polarize with up to 50mT and deploy a single-stage DC-SQUID current sensor with an integrated input coil which is connected to a wire-wound Nb gradiometer. We developed this system (white noise 0.50fT/√Hz) for assessing the feasibility of imaging neuronal currents by detecting their effect on the ULF-NMR signal. Magnetoencephalography investigations of evoked brain activity showed neuronal dipole moments below 50nAm. With our instrumentation, we have studied two different approaches for neuronal current imaging. In the so-called DC effect, long-lived neuronal activity shifts the Larmor frequency of the surrounding protons. An alternative strategy is to exploit fast neuronal activity as a tipping pulse. This so-called AC effect requires the proton Larmor frequency to match the frequency of the neuronal activity, which ranges from near-DC to ∼kHz. We emulated neuronal activity by means of a single dipolar source in a physical phantom, consisting of a hollow sphere filled with an aqueous solution of CuSO4 and NaCl. In these phantom studies, with physiologically relevant dipole depths, we determined resolution limits for our set-up for the AC and the DC effect of ∼10μAm and ∼50nAm, respectively. Hence, the DC effect appears to be detectable in vivo by current ULF-NMR technology.

  14. Advanced Statistical Signal Processing Techniques for Landmine Detection Using GPR

    DTIC Science & Technology

    2014-07-12

    based ground penetrating radars for the detection of subsurface objects that are low in metal content and hard to detect. The derived techniques...penetrating radars for the detection of subsurface objects that are low in metal content and hard to detect. The derived techniques include the exploitation...5.00 4.00 3.00 9.00 T. Glenn, J. Wilson, D. Ho. A MULTIMODAL MATCHING PURSUITS DISSIMILARITY MEASURE APPLIED TO LANDMINE/CLUTTER DISCRIMINATION

  15. Electroextraction and electromembrane extraction: Advances in hyphenation to analytical techniques

    PubMed Central

    Oedit, Amar; Ramautar, Rawi; Hankemeier, Thomas

    2016-01-01

    Electroextraction (EE) and electromembrane extraction (EME) are sample preparation techniques that both require an electric field that is applied over a liquid‐liquid system, which enables the migration of charged analytes. Furthermore, both techniques are often used to pre‐concentrate analytes prior to analysis. In this review an overview is provided of the body of literature spanning April 2012–November 2015 concerning EE and EME, focused on hyphenation to analytical techniques. First, the theoretical aspects of concentration enhancement in EE and EME are discussed to explain extraction recovery and enrichment factor. Next, overviews are provided of the techniques based on their hyphenation to LC, GC, CE, and direct detection. These overviews cover the compounds and matrices, experimental aspects (i.e. donor volume, acceptor volume, extraction time, extraction voltage, and separation time) and the analytical aspects (i.e. limit of detection, enrichment factor, and extraction recovery). Techniques that were either hyphenated online to analytical techniques or show high potential with respect to online hyphenation are highlighted. Finally, the potential future directions of EE and EME are discussed. PMID:26864699

  16. Advanced millimeter-wave security portal imaging techniques

    NASA Astrophysics Data System (ADS)

    Sheen, David M.; Bernacki, Bruce E.; McMakin, Douglas L.

    2012-03-01

    Millimeter-wave (mm-wave) imaging is rapidly gaining acceptance as a security tool to augment conventional metal detectors and baggage x-ray systems for passenger screening at airports and other secured facilities. This acceptance indicates that the technology has matured; however, many potential improvements can yet be realized. The authors have developed a number of techniques over the last several years including novel image reconstruction and display techniques, polarimetric imaging techniques, array switching schemes, and high-frequency high-bandwidth techniques. All of these may improve the performance of new systems; however, some of these techniques will increase the cost and complexity of the mm-wave security portal imaging systems. Reducing this cost may require the development of novel array designs. In particular, RF photonic methods may provide new solutions to the design and development of the sequentially switched linear mm-wave arrays that are the key element in the mm-wave portal imaging systems. Highfrequency, high-bandwidth designs are difficult to achieve with conventional mm-wave electronic devices, and RF photonic devices may be a practical alternative. In this paper, the mm-wave imaging techniques developed at PNNL are reviewed and the potential for implementing RF photonic mm-wave array designs is explored.

  17. Combining 1H NMR spectroscopy and multivariate regression techniques to quantitatively determine falsification of porcine heparin with bovine species.

    PubMed

    Monakhova, Yulia B; Diehl, Bernd W K

    2015-11-10

    (1)H NMR spectroscopy was used to distinguish pure porcine heparin and porcine heparin blended with bovine species and to quantify the degree of such adulteration. For multivariate modelling several statistical methods such as partial least squares regression (PLS), ridge regression (RR), stepwise regression with variable selection (SR), stepwise principal component regression (SPCR) were utilized for modeling NMR data of in-house prepared blends (n=80). The models were exhaustively validated using independent test and prediction sets. PLS and RR showed the best performance for estimating heparin falsification regarding its animal origin with the limit of detection (LOD) and root mean square error of validation (RMSEV) below 2% w/w and 1% w/w, respectively. Reproducibility expressed in coefficients of variation was estimated to be below 10% starting from approximately 5% w/w of bovine adulteration. Acceptable calibration model was obtained by SPCR, by its application range was limited, whereas SR is least recommended for heparin matrix. The developed method was found to be applicable also to heparinoid matrix (not purified heparin). In this case root mean square of prediction (RMSEP) and LOD were approximately 7% w/w and 8% w/w, respectively. The simple and cheap NMR method is recommended for screening of heparin animal origin in parallel with official NMR test of heparin authenticity and purity.

  18. Multiple Ca(2+) environments in silicate glasses by high-resolution (43)Ca MQMAS NMR technique at high and ultra-high (21.8 T) magnetic fields.

    PubMed

    Shimoda, Keiji; Tobu, Yasuhiro; Shimoikeda, Yuichi; Nemoto, Takahiro; Saito, Koji

    2007-05-01

    We here show the (43)Ca 5QMAS NMR spectra at high field (16.4 T) and the first 7QMAS spectrum at ultra-high field (21.8 T) for geologically important Ca-containing glasses. The high-resolution MQMAS spectra present a clear evidence of multiple Ca sites in the amorphous structures that have never been identified by other analytical methods. The present study suggests that the Ca(2+) ions are mainly in 7- and 8-fold coordination sites. This will offer valuable insights for dynamic properties of magmatic liquids. The MQMAS NMR technique at high magnetic field is a unique tool to understand the detailed structural information on a specific element in solids including organic and inorganic compounds.

  19. Glassy carbons from poly(furfuryl alcohol) copolymers: structural studies by high-resolution solid-state NMR techniques

    SciTech Connect

    Eckert, H.; Levendis, Y.A.; Flagan, R.C.

    1988-08-25

    The chemical structure of glass carbon particles produced from poly(furfuryl alcohol) copolymers is studied by /sup 13/C cross-polarization/magic-angle spinning (CP-MAS) NMR and high-speed /sup 1/H MAS NMR. In agreement with earlier proposals, /sup 13/C NMR spectra confirm the buildup of a highly unsaturated system at the expense of furan rings and aliphatic carbon atoms, and upon heating to 800 K this conversion is essentially complete. Successive carbonization by air oxidation or pyrolysis at temperatures up to 1600 K is reflected in a gradual decrease of the /sup 13/C chemical shift from ca. 130 to 115 ppm versus tetramethylsilane. /sup 1/H MAS NMR is used to detect and quantitate the amount of residual C-bonded hydrogen species at various stages of the carbonization process. In addition, these spectra show intense, narrow resonances due to sorbed H/sub 2/O molecules, which resonate over a wide range of chemical shifts (between 2.5 and /minus/8 ppm versus tetramethylsilane). In analogy with effects observed by Tabony and co-workers for molecules adsorbed above the basal plane of graphite, the upfield shifts observed for water sorbed in the glassy carbons of the present study are attributed to the large susceptibility anisotropy of submicroscopically ordered, turbostratic, or partially graphitized regions of the samples. The extent of this ordering is inversely correlated with the absolute content of residual C-bonded hydrogen species and depends mainly on the temperature of pyrolysis, whereas the oxygen content of the heating atmosphere and the composition of the initial polymeric material appear to be of secondary importance. The results suggest that sorbed H/sub 2/O molecules can function as sensitive NMR chemical shift probes for the initial stages of crystallization processes in glassy carbons.

  20. Application of Active Learning Techniques to an Advanced Course

    NASA Astrophysics Data System (ADS)

    Knop, R. A.

    2004-05-01

    The New Faculty Workshop provided a wealth of techniques as well as an overriding philosophy for the teaching of undergraduate Physics and Astronomy courses. The focus of the workshop was active learning, summarized in ``Learner-Centered Astronomy Teaching" by Slater & Adams: it's not what you do in class that matters, it's what the students do. Much of the specific focus of the New Faculty Workshop is on teaching the large, introductory Physics classes that many of the faculty present are sure to teach, both algebra-based and calculus-based. Many of these techniques apply directly and with little modification to introductory Astronomy courses. However, little direct attention is given to upper-division undergraduate, or even graduate, courses. In this presentation, I will share my experience in attempting to apply some of the techniques discussed at the New Faculty Workshop to an upper-division course in Galactic Astrophysics at Vanderbilt University during the Spring semester of 2004.

  1. The bumper technique for advancing a large profile microcatheter.

    PubMed

    Kellner, Christopher P; Chartrain, Alexander G; Schwegel, Claire; Oxley, Thomas J; Shoirah, Hazem; Mocco, J

    2017-03-09

    Operators commonly encounter difficulty maneuvering a microcatheter beyond the distal lip of wide neck aneurysms and aneurysms in challenging locations. Few techniques have been described to guide operators in these particular situations. In this case report of a 56-year-old woman with a 16 mm ophthalmic artery aneurysm, the microcatheter continually snagged the distal aneurysm lip, preventing delivery of a flow diverter into the distal parent vessel. In troubleshooting this obstacle, a second microguidewire was introduced alongside the microcatheter and was used to cover the distal lip of the aneurysm to prevent further snagging. The second guidewire successfully deflected the microcatheter into the distal vessel, a technique that we have aptly dubbed the 'bumper technique'.

  2. Nondestructive Evaluation of Thick Concrete Using Advanced Signal Processing Techniques

    SciTech Connect

    Clayton, Dwight A; Barker, Alan M; Santos-Villalobos, Hector J; Albright, Austin P; Hoegh, Kyle; Khazanovich, Lev

    2015-09-01

    The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years [1]. Since many important safety structures in an NPP are constructed of concrete, inspection techniques must be developed and tested to evaluate the internal condition. In-service containment structures generally do not allow for the destructive measures necessary to validate the accuracy of these inspection techniques. This creates a need for comparative testing of the various nondestructive evaluation (NDE) measurement techniques on concrete specimens with known material properties, voids, internal microstructure flaws, and reinforcement locations.

  3. Transcranial Doppler: Techniques and advanced applications: Part 2

    PubMed Central

    Sharma, Arvind K.; Bathala, Lokesh; Batra, Amit; Mehndiratta, Man Mohan; Sharma, Vijay K.

    2016-01-01

    Transcranial Doppler (TCD) is the only diagnostic tool that can provide continuous information about cerebral hemodynamics in real time and over extended periods. In the previous paper (Part 1), we have already presented the basic ultrasound physics pertaining to TCD, insonation methods, and various flow patterns. This article describes various advanced applications of TCD such as detection of right-to-left shunt, emboli monitoring, vasomotor reactivity (VMR), monitoring of vasospasm in subarachnoid hemorrhage (SAH), monitoring of intracranial pressure, its role in stoke prevention in sickle cell disease, and as a supplementary test for confirmation of brain death. PMID:27011639

  4. Brain development in preterm infants assessed using advanced MRI techniques.

    PubMed

    Tusor, Nora; Arichi, Tomoki; Counsell, Serena J; Edwards, A David

    2014-03-01

    Infants who are born preterm have a high incidence of neurocognitive and neurobehavioral abnormalities, which may be associated with impaired brain development. Advanced magnetic resonance imaging (MRI) approaches, such as diffusion MRI (d-MRI) and functional MRI (fMRI), provide objective and reproducible measures of brain development. Indices derived from d-MRI can be used to provide quantitative measures of preterm brain injury. Although fMRI of the neonatal brain is currently a research tool, future studies combining d-MRI and fMRI have the potential to assess the structural and functional properties of the developing brain and its response to injury.

  5. Application of advanced coating techniques to rocket engine components

    NASA Technical Reports Server (NTRS)

    Verma, S. K.

    1988-01-01

    The materials problem in the space shuttle main engine (SSME) is reviewed. Potential coatings and the method of their application for improved life of SSME components are discussed. A number of advanced coatings for turbine blade components and disks are being developed and tested in a multispecimen thermal fatigue fluidized bed facility at IIT Research Institute. This facility is capable of producing severe strains of the degree present in blades and disk components of the SSME. The potential coating systems and current efforts at IITRI being taken for life extension of the SSME components are summarized.

  6. Benefits of advanced software techniques for mission planning systems

    NASA Technical Reports Server (NTRS)

    Gasquet, A.; Parrod, Y.; Desaintvincent, A.

    1994-01-01

    The increasing complexity of modern spacecraft, and the stringent requirement for maximizing their mission return, call for a new generation of Mission Planning Systems (MPS). In this paper, we discuss the requirements for the Space Mission Planning and the benefits which can be expected from Artificial Intelligence techniques through examples of applications developed by Matra Marconi Space.

  7. Advances in reduction techniques for tire contact problems

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.

    1995-01-01

    Some recent developments in reduction techniques, as applied to predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities, are reviewed. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of reduction techniques, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface. Also, the research topics which have high potential for enhancing the effectiveness of reduction techniques are outlined.

  8. In Situ Techniques for Monitoring Electrochromism: An Advanced Laboratory Experiment

    ERIC Educational Resources Information Center

    Saricayir, Hakan; Uce, Musa; Koca, Atif

    2010-01-01

    This experiment employs current technology to enhance and extend existing lab content. The basic principles of spectroscopic and electroanalytical techniques and their use in determining material properties are covered in some detail in many undergraduate chemistry programs. However, there are limited examples of laboratory experiments with in…

  9. Advances in High-Fidelity Multi-Physics Simulation Techniques

    DTIC Science & Technology

    2008-01-01

    fluid dynamics with other disciplines also yield a large and typically stiff equation set whose numerical solution mandates the development and...and Electromagnetics . . . . . 3 2.1 Governing Equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 2.2 Numerical Technique...discrete equivalent of the governing equations . Thus, the values of the solution vector are localized in a pointwise sense at each node of the mesh. This

  10. Single Molecule Techniques for Advanced in situ Hybridization

    SciTech Connect

    Hollars, C W; Stubbs, L; Carlson, K; Lu, X; Wehri, E

    2003-02-03

    One of the most significant achievements of modern science is completion of the human genome sequence, completed in the year 2000. Despite this monumental accomplishment, researchers have only begun to understand the relationships between this three-billion-nucleotide genetic code and the regulation and control of gene and protein expression within each of the millions of different types of highly specialized cells. Several methodologies have been developed for the analysis of gene and protein expression in situ, yet despite these advancements, the pace of such analyses is extremely limited. Because information regarding the precise timing and location of gene expression is a crucial component in the discovery of new pharmacological agents for the treatment of disease, there is an enormous incentive to develop technologies that accelerate the analytical process. Here we report on the use of plasmon resonant particles as advanced probes for in situ hybridization. These probes are used for the detection of low levels of gene-probe response and demonstrate a detection method that enables precise, simultaneous localization within a cell of the points of expression of multiple genes or proteins in a single sample.

  11. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1990-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines the authors are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. The authors have concentrated on a theoretical treatment of pairs of tightly coupled spin {1/2} nuclei under magic angle spinning conditions. The average Hamiltonian theory developed here is required for a quantitative understanding of two dimensional NMR experiments of such spin pairs in solids. These experiments in turn provide a means of determining connectivities between resonances in solid state NMR spectra. Development of these techniques will allow us to establish connectivities between functional components in coals. The complete description of these spin dynamics has turned out to be complex, and is necessary to provide a foundation upon which such experiments may be quantitatively interpreted in complex mixtures such as coals. 25 refs., 4 figs., 3 tabs.

  12. Advanced optical techniques for monitoring dosimetric parameters in photodynamic therapy

    NASA Astrophysics Data System (ADS)

    Li, Buhong; Qiu, Zhihai; Huang, Zheng

    2012-12-01

    Photodynamic therapy (PDT) is based on the generation of highly reactive singlet oxygen through interactions of photosensitizer, light and molecular oxygen. PDT has become a clinically approved, minimally invasive therapeutic modality for a wide variety of malignant and nonmalignant diseases. The main dosimetric parameters for predicting the PDT efficacy include the delivered light dose, the quantification and photobleaching of the administrated photosensitizer, the tissue oxygen concentration, the amount of singlet oxygen generation and the resulting biological responses. This review article presents the emerging optical techniques that in use or under development for monitoring dosimetric parameters during PDT treatment. Moreover, the main challenges in developing real-time and noninvasive optical techniques for monitoring dosimetric parameters in PDT will be described.

  13. Characterization of PTFE Using Advanced Thermal Analysis Techniques

    NASA Astrophysics Data System (ADS)

    Blumm, J.; Lindemann, A.; Meyer, M.; Strasser, C.

    2010-10-01

    Polytetrafluoroethylene (PTFE) is a synthetic fluoropolymer used in numerous industrial applications. It is often referred to by its trademark name, Teflon. Thermal characterization of a PTFE material was carried out using various thermal analysis and thermophysical properties test techniques. The transformation energetics and specific heat were measured employing differential scanning calorimetry. The thermal expansion and the density changes were determined employing pushrod dilatometry. The viscoelastic properties (storage and loss modulus) were analyzed using dynamic mechanical analysis. The thermal diffusivity was measured using the laser flash technique. Combining thermal diffusivity data with specific heat and density allows calculation of the thermal conductivity of the polymer. Measurements were carried out from - 125 °C up to 150 °C. Additionally, measurements of the mechanical properties were carried out down to - 170 °C. The specific heat tests were conducted into the fully molten regions up to 370 °C.

  14. Advance techniques for monitoring human tolerance to +Gz accelerations.

    NASA Technical Reports Server (NTRS)

    Pelligra, R.; Sandler, H.; Rositano, S.; Skrettingland, K.; Mancini, R.

    1972-01-01

    Standard techniques for monitoring the acceleration-stressed human subject have been augmented by measuring (1) temporal, brachial and/or radial arterial blood flow, and (2) indirect systolic and diastolic blood pressure at 60-sec intervals. Results show that the response of blood pressure to positive accelerations is complex and dependent on an interplay of hydrostatic forces, diminishing venous return, redistribution of blood, and other poorly defined compensatory reflexes.

  15. Advanced techniques for characterization of ion beam modified materials

    DOE PAGES

    Zhang, Yanwen; Debelle, Aurélien; Boulle, Alexandre; ...

    2014-10-30

    Understanding the mechanisms of damage formation in materials irradiated with energetic ions is essential for the field of ion-beam materials modification and engineering. Utilizing incident ions, electrons, photons, and positrons, various analysis techniques, including Rutherford backscattering spectrometry (RBS), electron RBS, Raman spectroscopy, high-resolution X-ray diffraction, small-angle X-ray scattering, and positron annihilation spectroscopy, are routinely used or gaining increasing attention in characterizing ion beam modified materials. The distinctive information, recent developments, and some perspectives in these techniques are reviewed in this paper. Applications of these techniques are discussed to demonstrate their unique ability for studying ion-solid interactions and the corresponding radiationmore » effects in modified depths ranging from a few nm to a few tens of μm, and to provide information on electronic and atomic structure of the materials, defect configuration and concentration, as well as phase stability, amorphization and recrystallization processes. Finally, such knowledge contributes to our fundamental understanding over a wide range of extreme conditions essential for enhancing material performance and also for design and synthesis of new materials to address a broad variety of future energy applications.« less

  16. Advanced techniques for characterization of ion beam modified materials

    SciTech Connect

    Zhang, Yanwen; Debelle, Aurélien; Boulle, Alexandre; Kluth, Patrick; Tuomisto, Filip

    2014-10-30

    Understanding the mechanisms of damage formation in materials irradiated with energetic ions is essential for the field of ion-beam materials modification and engineering. Utilizing incident ions, electrons, photons, and positrons, various analysis techniques, including Rutherford backscattering spectrometry (RBS), electron RBS, Raman spectroscopy, high-resolution X-ray diffraction, small-angle X-ray scattering, and positron annihilation spectroscopy, are routinely used or gaining increasing attention in characterizing ion beam modified materials. The distinctive information, recent developments, and some perspectives in these techniques are reviewed in this paper. Applications of these techniques are discussed to demonstrate their unique ability for studying ion-solid interactions and the corresponding radiation effects in modified depths ranging from a few nm to a few tens of μm, and to provide information on electronic and atomic structure of the materials, defect configuration and concentration, as well as phase stability, amorphization and recrystallization processes. Finally, such knowledge contributes to our fundamental understanding over a wide range of extreme conditions essential for enhancing material performance and also for design and synthesis of new materials to address a broad variety of future energy applications.

  17. Development of processing techniques for advanced thermal protection materials

    NASA Technical Reports Server (NTRS)

    Selvaduray, Guna S.

    1994-01-01

    The effort, which was focused on the research and development of advanced materials for use in Thermal Protection Systems (TPS), has involved chemical and physical testing of refractory ceramic tiles, fabrics, threads and fibers. This testing has included determination of the optical properties, thermal shock resistance, high temperature dimensional stability, and tolerance to environmental stresses. Materials have also been tested in the Arc Jet 2 x 9 Turbulent Duct Facility (TDF), the 1 atmosphere Radiant Heat Cycler, and the Mini-Wind Tunnel Facility (MWTF). A significant part of the effort hitherto has gone towards modifying and upgrading the test facilities so that meaningful tests can be carried out. Another important effort during this period has been the creation of a materials database. Computer systems administration and support have also been provided. These are described in greater detail below.

  18. Recent advances in bioprinting techniques: approaches, applications and future prospects.

    PubMed

    Li, Jipeng; Chen, Mingjiao; Fan, Xianqun; Zhou, Huifang

    2016-09-20

    Bioprinting technology shows potential in tissue engineering for the fabrication of scaffolds, cells, tissues and organs reproducibly and with high accuracy. Bioprinting technologies are mainly divided into three categories, inkjet-based bioprinting, pressure-assisted bioprinting and laser-assisted bioprinting, based on their underlying printing principles. These various printing technologies have their advantages and limitations. Bioprinting utilizes biomaterials, cells or cell factors as a "bioink" to fabricate prospective tissue structures. Biomaterial parameters such as biocompatibility, cell viability and the cellular microenvironment strongly influence the printed product. Various printing technologies have been investigated, and great progress has been made in printing various types of tissue, including vasculature, heart, bone, cartilage, skin and liver. This review introduces basic principles and key aspects of some frequently used printing technologies. We focus on recent advances in three-dimensional printing applications, current challenges and future directions.

  19. Advanced materials and techniques for fibre-optic sensing

    NASA Astrophysics Data System (ADS)

    Henderson, Philip J.

    2014-06-01

    Fibre-optic monitoring systems came of age in about 1999 upon the emergence of the world's first significant commercialising company - a spin-out from the UK's collaborative MAST project. By using embedded fibre-optic technology, the MAST project successfully measured transient strain within high-performance composite yacht masts. Since then, applications have extended from smart composites into civil engineering, energy, military, aerospace, medicine and other sectors. Fibre-optic sensors come in various forms, and may be subject to embedment, retrofitting, and remote interrogation. The unique challenges presented by each implementation require careful scrutiny before widespread adoption can take place. Accordingly, various aspects of design and reliability are discussed spanning a range of representative technologies that include resonant microsilicon structures, MEMS, Bragg gratings, advanced forms of spectroscopy, and modern trends in nanotechnology. Keywords: Fibre-optic sensors, fibre Bragg gratings, MEMS, MOEMS, nanotechnology, plasmon.

  20. Advanced Techniques for Constrained Internal Coordinate Molecular Dynamics

    PubMed Central

    Wagner, Jeffrey R.; Balaraman, Gouthaman S.; Niesen, Michiel J. M.; Larsen, Adrien B.; Jain, Abhinandan; Vaidehi, Nagarajan

    2013-01-01

    Internal coordinate molecular dynamics (ICMD) methods provide a more natural description of a protein by using bond, angle and torsional coordinates instead of a Cartesian coordinate representation. Freezing high frequency bonds and angles in the ICMD model gives rise to constrained ICMD (CICMD) models. There are several theoretical aspects that need to be developed in order to make the CICMD method robust and widely usable. In this paper we have designed a new framework for 1) initializing velocities for non-independent CICMD coordinates, 2) efficient computation of center of mass velocity during CICMD simulations, 3) using advanced integrators such as Runge-Kutta, Lobatto and adaptive CVODE for CICMD simulations, and 4) cancelling out the “flying ice cube effect” that sometimes arises in Nosé-Hoover dynamics. The Generalized Newton-Euler Inverse Mass Operator (GNEIMO) method is an implementation of a CICMD method that we have developed to study protein dynamics. GNEIMO allows for a hierarchy of coarse-grained simulation models based on the ability to rigidly constrain any group of atoms. In this paper, we perform tests on the Lobatto and Runge-Kutta integrators to determine optimal simulation parameters. We also implement an adaptive coarse graining tool using the GNEIMO Python interface. This tool enables the secondary structure-guided “freezing and thawing” of degrees of freedom in the molecule on the fly during MD simulations, and is shown to fold four proteins to their native topologies. With these advancements we envision the use of the GNEIMO method in protein structure prediction, structure refinement, and in studying domain motion. PMID:23345138

  1. Advanced techniques for constrained internal coordinate molecular dynamics.

    PubMed

    Wagner, Jeffrey R; Balaraman, Gouthaman S; Niesen, Michiel J M; Larsen, Adrien B; Jain, Abhinandan; Vaidehi, Nagarajan

    2013-04-30

    Internal coordinate molecular dynamics (ICMD) methods provide a more natural description of a protein by using bond, angle, and torsional coordinates instead of a Cartesian coordinate representation. Freezing high-frequency bonds and angles in the ICMD model gives rise to constrained ICMD (CICMD) models. There are several theoretical aspects that need to be developed to make the CICMD method robust and widely usable. In this article, we have designed a new framework for (1) initializing velocities for nonindependent CICMD coordinates, (2) efficient computation of center of mass velocity during CICMD simulations, (3) using advanced integrators such as Runge-Kutta, Lobatto, and adaptive CVODE for CICMD simulations, and (4) cancelling out the "flying ice cube effect" that sometimes arises in Nosé-Hoover dynamics. The Generalized Newton-Euler Inverse Mass Operator (GNEIMO) method is an implementation of a CICMD method that we have developed to study protein dynamics. GNEIMO allows for a hierarchy of coarse-grained simulation models based on the ability to rigidly constrain any group of atoms. In this article, we perform tests on the Lobatto and Runge-Kutta integrators to determine optimal simulation parameters. We also implement an adaptive coarse-graining tool using the GNEIMO Python interface. This tool enables the secondary structure-guided "freezing and thawing" of degrees of freedom in the molecule on the fly during molecular dynamics simulations and is shown to fold four proteins to their native topologies. With these advancements, we envision the use of the GNEIMO method in protein structure prediction, structure refinement, and in studying domain motion.

  2. Chemical vs. electrochemical extraction of lithium from the Li-excess Li(1.10)Mn(1.90)O4 spinel followed by NMR and DRX techniques.

    PubMed

    Martinez, S; Sobrados, I; Tonti, D; Amarilla, J M; Sanz, J

    2014-02-21

    Lithium extraction from the Li-excess Li1.10Mn1.90O4 spinel has been performed by chemical and electrochemical methods in aqueous and in organic media, respectively. De-lithiated samples have been investigated by XRD, SEM, TG, (7)Li and (1)H MAS-NMR techniques. The comparative study has allowed demonstrating that the intermediate de-intercalated samples prepared during the chemical extraction by acid titration are similar to those prepared by the electrochemical way in a non-aqueous electrolyte. LiMn2O4 based spinel with a tailored de-lithiation degree can be prepared as a single phase by controlling the pH used in chemical extraction. (7)Li MAS-NMR spectroscopy has been used to follow the influence of the manganese oxidation state on tetra and octahedral Li-signals detected in Li-extracted samples. The oxidation of Mn(III) ions goes parallel to the partial dissolution of the spinel, following Hunter's mechanism. Based on this mechanism, a generalized chemical reaction has been proposed to explain the formation of intermediate Li(+) de-intercalated samples during acid treatment in aqueous media. By the (1)H MAS NMR study, no evidence of Li-H topotactic exchange in the bulk of the acid treated material was found.

  3. Advances in parameter estimation techniques applied to flexible structures

    NASA Technical Reports Server (NTRS)

    Maben, Egbert; Zimmerman, David C.

    1994-01-01

    In this work, various parameter estimation techniques are investigated in the context of structural system identification utilizing distributed parameter models and 'measured' time-domain data. Distributed parameter models are formulated using the PDEMOD software developed by Taylor. Enhancements made to PDEMOD for this work include the following: (1) a Wittrick-Williams based root solving algorithm; (2) a time simulation capability; and (3) various parameter estimation algorithms. The parameter estimations schemes will be contrasted using the NASA Mini-Mast as the focus structure.

  4. Advances in dental veneers: materials, applications, and techniques

    PubMed Central

    Pini, Núbia Pavesi; Aguiar, Flávio Henrique Baggio; Lima, Débora Alves Nunes Leite; Lovadino, José Roberto; Terada, Raquel Sano Suga; Pascotto, Renata Corrêa

    2012-01-01

    Laminate veneers are a conservative treatment of unaesthetic anterior teeth. The continued development of dental ceramics offers clinicians many options for creating highly aesthetic and functional porcelain veneers. This evolution of materials, ceramics, and adhesive systems permits improvement of the aesthetic of the smile and the self-esteem of the patient. Clinicians should understand the latest ceramic materials in order to be able to recommend them and their applications and techniques, and to ensure the success of the clinical case. The current literature was reviewed to search for the most important parameters determining the long-term success, correct application, and clinical limitations of porcelain veneers. PMID:23674920

  5. Use of solid-state NMR techniques for the analysis of water in coal and the effect of different coal drying techniques on the structure and reactivity of coal

    SciTech Connect

    Netzel, D.A.

    1991-01-01

    The overall objectives of this study are to develop an NMR method for measuring the water in coal, to measure the changes in coal structure that occur during coal drying, to determine what effect water has on retrograde/condensation reactions, and to determine the mechanism by which water may enhance coal reactivity toward liquefaction. Different methods of drying will be investigated to determine if drying can be accomplished without destroying coal reactivity toward liquefaction, thereby making coal drying an attractive and economical method for coal pretreatment. Coal drying methods will include thermal drying under different atmospheres and temperatures, drying with microwave radiation, and low-temperature chemical dehydration. The objective for this quarterly report were (1) to determine the limit of detection of water by NMR, (2) to determine the reproducibility of the NMR integration method using the Lab Cal {sup {trademark}} PC software, (3) to determine the amount of water in standard solutions, and (4) to determine the amount of water in a coal sample. The studies performed this last quarter have shown that the {sup 1}H NMR method for determining water in a coal sample via the reaction with 2,2-dimethoxypropane will be suitable for determining the water content in coals. The method should be most suitable for coals having low moisture content; that is, those coals which have been subjected to other drying techniques. 9 refs., 1 tab.

  6. Use of solid-state NMR techniques for the analysis of water in coal and the effect of different coal drying techniques on the structure and reactivity of coal. Quarterly report, December 1, 1991--February 29, 1992

    SciTech Connect

    Netzel, D.A.

    1991-12-31

    The overall objectives of this study are to develop an NMR method for measuring the water in coal, to measure the changes in coal structure that occur during coal drying, to determine what effect water has on retrograde/condensation reactions, and to determine the mechanism by which water may enhance coal reactivity toward liquefaction. Different methods of drying will be investigated to determine if drying can be accomplished without destroying coal reactivity toward liquefaction, thereby making coal drying an attractive and economical method for coal pretreatment. Coal drying methods will include thermal drying under different atmospheres and temperatures, drying with microwave radiation, and low-temperature chemical dehydration. The objective for this quarterly report were (1) to determine the limit of detection of water by NMR, (2) to determine the reproducibility of the NMR integration method using the Lab Cal {sup {trademark}} PC software, (3) to determine the amount of water in standard solutions, and (4) to determine the amount of water in a coal sample. The studies performed this last quarter have shown that the {sup 1}H NMR method for determining water in a coal sample via the reaction with 2,2-dimethoxypropane will be suitable for determining the water content in coals. The method should be most suitable for coals having low moisture content; that is, those coals which have been subjected to other drying techniques. 9 refs., 1 tab.

  7. Push-through Direction Injectin NMR Automation

    EPA Science Inventory

    Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the two major spectroscopic techniques successfully used in metabolomics studies. The non-invasive, quantitative and reproducible characteristics make NMR spectroscopy an excellent technique for detection of endogeno...

  8. Advanced terahertz techniques for quality control and counterfeit detection

    NASA Astrophysics Data System (ADS)

    Ahi, Kiarash; Anwar, Mehdi

    2016-04-01

    This paper reports our invented methods for detection of counterfeit electronic. These versatile techniques are also handy in quality control applications. Terahertz pulsed laser systems are capable of giving the material characteristics and thus make it possible to distinguish between the materials used in authentic components and their counterfeit clones. Components with material defects can also be distinguished in section in this manner. In this work different refractive indices and absorption coefficients were observed for counterfeit components compared to their authentic counterparts. Existence of unexpected ingredient materials was detected in counterfeit components by Fourier Transform analysis of the transmitted terahertz pulse. Thicknesses of different layers are obtainable by analyzing the reflected terahertz pulse. Existence of unexpected layers is also detectable in this manner. Recycled, sanded and blacktopped counterfeit electronic components were detected as a result of these analyses. Counterfeit ICs with die dislocations were detected by depicting the terahertz raster scanning data in a coordinate plane which gives terahertz images. In the same manner, raster scanning of the reflected pulse gives terahertz images of the surfaces of the components which were used to investigate contaminant materials and sanded points on the surfaces. The results of the later technique, reveals the recycled counterfeit components.

  9. Advanced techniques in reliability model representation and solution

    NASA Technical Reports Server (NTRS)

    Palumbo, Daniel L.; Nicol, David M.

    1992-01-01

    The current tendency of flight control system designs is towards increased integration of applications and increased distribution of computational elements. The reliability analysis of such systems is difficult because subsystem interactions are increasingly interdependent. Researchers at NASA Langley Research Center have been working for several years to extend the capability of Markov modeling techniques to address these problems. This effort has been focused in the areas of increased model abstraction and increased computational capability. The reliability model generator (RMG) is a software tool that uses as input a graphical object-oriented block diagram of the system. RMG uses a failure-effects algorithm to produce the reliability model from the graphical description. The ASSURE software tool is a parallel processing program that uses the semi-Markov unreliability range evaluator (SURE) solution technique and the abstract semi-Markov specification interface to the SURE tool (ASSIST) modeling language. A failure modes-effects simulation is used by ASSURE. These tools were used to analyze a significant portion of a complex flight control system. The successful combination of the power of graphical representation, automated model generation, and parallel computation leads to the conclusion that distributed fault-tolerant system architectures can now be analyzed.

  10. Comparison of three advanced chromatographic techniques for cannabis identification.

    PubMed

    Debruyne, D; Albessard, F; Bigot, M C; Moulin, M

    1994-01-01

    The development of chromatography technology, with the increasing availability of easier-to-use mass spectrometers combined with gas chromatography (GC), the use of diode-array or programmable variable-wavelength ultraviolet absorption detectors in conjunction with high-performance liquid chromatography (HPLC), and the availability of scanners capable of reading thin-layer chromatography (TLC) plates in the ultraviolet and visible regions, has made for easier, quicker and more positive identification of cannabis samples that standard analytical laboratories are occasionally required to undertake in the effort to combat drug addiction. At laboratories that do not possess the technique of GC combined with mass spectrometry, which provides an irrefutable identification, the following procedure involving HPLC or TLC techniques may be used: identification of the chromatographic peaks corresponding to each of the three main cannabis constituents-cannabidiol (CBD), delta-9-tetrahydrocannabinol (delta-9-THC) and cannabinol (CBN)-by comparison with published data in conjunction with a specific absorption spectrum for each of those constituents obtained between 200 and 300 nm. The collection of the fractions corresponding to the three major cannabinoids at the HPLC system outlet and the cross-checking of their identity in the GC process with flame ionization detection can further corroborate the identification and minimize possible errors due to interference.

  11. XII Advanced Computing and Analysis Techniques in Physics Research

    NASA Astrophysics Data System (ADS)

    Speer, Thomas; Carminati, Federico; Werlen, Monique

    November 2008 will be a few months after the official start of LHC when the highest quantum energy ever produced by mankind will be observed by the most complex piece of scientific equipment ever built. LHC will open a new era in physics research and push further the frontier of Knowledge This achievement has been made possible by new technological developments in many fields, but computing is certainly the technology that has made possible this whole enterprise. Accelerator and detector design, construction management, data acquisition, detectors monitoring, data analysis, event simulation and theoretical interpretation are all computing based HEP activities but also occurring many other research fields. Computing is everywhere and forms the common link between all involved scientists and engineers. The ACAT workshop series, created back in 1990 as AIHENP (Artificial Intelligence in High Energy and Nuclear Research) has been covering the tremendous evolution of computing in its most advanced topics, trying to setup bridges between computer science, experimental and theoretical physics. Conference web-site: http://acat2008.cern.ch/ Programme and presentations: http://indico.cern.ch/conferenceDisplay.py?confId=34666

  12. Coal and Coal Constituent Studies by Advanced EMR Techniques

    SciTech Connect

    Alex I. Smirnov; Mark J. Nilges; R. Linn Belford; Robert B. Clarkson

    1998-03-31

    Advanced electronic magnetic resonance (EMR) methods are used to examine properties of coals, chars, and molecular species related to constituents of coal. We have achieved substantial progress on upgrading the high field (HF) EMR (W-band, 95 GHz) spectrometers that are especially advantageous for such studies. Particularly, we have built a new second W-band instrument (Mark II) in addition to our Mark I. Briefly, Mark II features: (i) an Oxford custom-built 7 T superconducting magnet which is scannable from 0 to 7 T at up to 0.5 T/min; (ii) water-cooled coaxial solenoid with up to ±550 G scan under digital (15 bits resolution) computer control; (iii) custom-engineered precision feed-back circuit, which is used to drive this solenoid, is based on an Ultrastab 860R sensor that has linearity better than 5 ppm and resolution of 0.05 ppm; (iv) an Oxford CF 1200 cryostat for variable temperature studies from 1.8 to 340 K. During this grant period we have completed several key upgrades of both Mark I and II, particularly microwave bridge, W-band probehead, and computer interfaces. We utilize these improved instruments for HF EMR studies of spin-spin interaction and existence of different paramagnetic species in carbonaceous solids.

  13. Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Advances Chemical Standardization of a Red Clover (Trifolium pratense) Extract.

    PubMed

    Phansalkar, Rasika S; Simmler, Charlotte; Bisson, Jonathan; Chen, Shao-Nong; Lankin, David C; McAlpine, James B; Niemitz, Matthias; Pauli, Guido F

    2017-01-09

    Chemical standardization, along with morphological and DNA analysis ensures the authenticity and advances the integrity evaluation of botanical preparations. Achievement of a more comprehensive, metabolomic standardization requires simultaneous quantitation of multiple marker compounds. Employing quantitative (1)H NMR (qHNMR), this study determined the total isoflavone content (TIfCo; 34.5-36.5% w/w) via multimarker standardization and assessed the stability of a 10-year-old isoflavone-enriched red clover extract (RCE). Eleven markers (nine isoflavones, two flavonols) were targeted simultaneously, and outcomes were compared with LC-based standardization. Two advanced quantitative measures in qHNMR were applied to derive quantities from complex and/or overlapping resonances: a quantum mechanical (QM) method (QM-qHNMR) that employs (1)H iterative full spin analysis, and a non-QM method that uses linear peak fitting algorithms (PF-qHNMR). A 10 min UHPLC-UV method provided auxiliary orthogonal quantitation. This is the first systematic evaluation of QM and non-QM deconvolution as qHNMR quantitation measures. It demonstrates that QM-qHNMR can account successfully for the complexity of (1)H NMR spectra of individual analytes and how QM-qHNMR can be built for mixtures such as botanical extracts. The contents of the main bioactive markers were in good agreement with earlier HPLC-UV results, demonstrating the chemical stability of the RCE. QM-qHNMR advances chemical standardization by its inherent QM accuracy and the use of universal calibrants, avoiding the impractical need for identical reference materials.

  14. Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Advances Chemical Standardization of a Red Clover (Trifolium pratense) Extract

    PubMed Central

    2017-01-01

    Chemical standardization, along with morphological and DNA analysis ensures the authenticity and advances the integrity evaluation of botanical preparations. Achievement of a more comprehensive, metabolomic standardization requires simultaneous quantitation of multiple marker compounds. Employing quantitative 1H NMR (qHNMR), this study determined the total isoflavone content (TIfCo; 34.5–36.5% w/w) via multimarker standardization and assessed the stability of a 10-year-old isoflavone-enriched red clover extract (RCE). Eleven markers (nine isoflavones, two flavonols) were targeted simultaneously, and outcomes were compared with LC-based standardization. Two advanced quantitative measures in qHNMR were applied to derive quantities from complex and/or overlapping resonances: a quantum mechanical (QM) method (QM-qHNMR) that employs 1H iterative full spin analysis, and a non-QM method that uses linear peak fitting algorithms (PF-qHNMR). A 10 min UHPLC-UV method provided auxiliary orthogonal quantitation. This is the first systematic evaluation of QM and non-QM deconvolution as qHNMR quantitation measures. It demonstrates that QM-qHNMR can account successfully for the complexity of 1H NMR spectra of individual analytes and how QM-qHNMR can be built for mixtures such as botanical extracts. The contents of the main bioactive markers were in good agreement with earlier HPLC-UV results, demonstrating the chemical stability of the RCE. QM-qHNMR advances chemical standardization by its inherent QM accuracy and the use of universal calibrants, avoiding the impractical need for identical reference materials. PMID:28067513

  15. Bioactive glass thin films synthesized by advanced pulsed laser techniques

    NASA Astrophysics Data System (ADS)

    Mihailescu, N.; Stan, George E.; Ristoscu, C.; Sopronyi, M.; Mihailescu, Ion N.

    2016-10-01

    Bioactive materials play an increasingly important role in the biomaterials industry, and are extensively used in a range of applications, including biodegradable metallic implants. We report on Bioactive Glasses (BG) films deposition by pulsed laser techniques onto biodegradable substrates. The BG coatings were obtained using a KrF* excimer laser source (λ= 248 nm, τFWHM ≤ 25 ns).Their thickness has been determined by Profilometry measurements, whilst their morphology has been analysed by Scanning Electron Microscopy (SEM). The obtained coatings fairly preserved the targets composition and structure, as revealed by Energy Dispersive X-Ray Spectroscopy, Grazing Incidence X-Ray Diffraction, and Fourier Transform Infra-Red Spectroscopy analyses.

  16. Advanced Techniques in Musculoskeletal Oncology: Perfusion, Diffusion, and Spectroscopy.

    PubMed

    Teixeira, Pedro A Gondim; Beaumont, Marine; Gabriela, Hossu; Bailiang, Chen; Verhaeghe, Jean-luc; Sirveaux, François; Blum, Alain

    2015-12-01

    The imaging characterization of musculoskeletal tumors can be challenging, and a significant number of lesions remain indeterminate when conventional imaging protocols are used. In recent years, clinical availability of functional imaging methods has increased. Functional imaging has the potential to improve tumor detection, characterization, and follow-up. The most frequently used functional methods are perfusion imaging, diffusion-weighted imaging (DWI), and MR proton spectroscopy (MRS). Each of these techniques has specific protocol requirements and diagnostic pitfalls that need to be acknowledged to avoid misdiagnoses. Additionally, the application of functional methods in the MSK system has various technical issues that need to be addressed to ensure data quality and comparability. In this article, the application of contrast-enhanced perfusion imaging, DWI, and MRS for the evaluation of bone and soft tissue tumors is discussed, with emphasis on acquisition protocols, technical difficulties, and current clinical indications.

  17. Advanced fabrication techniques for hydrogen-cooled engine structures

    NASA Technical Reports Server (NTRS)

    Buchmann, O. A.; Arefian, V. V.; Warren, H. A.; Vuigner, A. A.; Pohlman, M. J.

    1985-01-01

    Described is a program for development of coolant passage geometries, material systems, and joining processes that will produce long-life hydrogen-cooled structures for scramjet applications. Tests were performed to establish basic material properties, and samples constructed and evaluated to substantiate fabrication processes and inspection techniques. Results of the study show that the basic goal of increasing the life of hydrogen-cooled structures two orders of magnitude relative to that of the Hypersonic Research Engine can be reached with available means. Estimated life is 19000 cycles for the channels and 16000 cycles for pin-fin coolant passage configurations using Nickel 201. Additional research is required to establish the fatigue characteristics of dissimilar-metal coolant passages (Nickel 201/Inconel 718) and to investigate the embrittling effects of the hydrogen coolant.

  18. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect

    George J. Hirasaki; Kishore K. Mohanty

    2005-09-05

    The objective of this report is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity. Oil based drilling fluids can have an adverse effect on NMR well logging if it alters the wettability of the formation. The effect of various surfactants on wettability and surface relaxivity are evaluated for silica sand. The relation between the relaxation time and diffusivity distinguishes the response of brine, oil, and gas in a NMR well log. A new NMR pulse sequence in the presence of a field gradient and a new inversion technique enables the T{sub 2} and diffusivity distributions to be displayed as a two-dimensional map. The objectives of pore morphology and rock characterization are to identify vug connectivity by using X-ray CT scan, and to improve NMR permeability correlation. Improved estimation of permeability from NMR response is possible by using estimated tortuosity as a parameter to interpolate between two existing permeability models.

  19. Advanced Infusion Techniques with 3-D Printed Tooling

    SciTech Connect

    Nuttall, David; Elliott, Amy; Post, Brian K.; Love, Lonnie J.

    2016-05-10

    The manufacturing of tooling for large, contoured surfaces for fiber-layup applications requires significant effort to understand the geometry and then to subtractively manufacture the tool. Traditional methods for the auto industry use clay that is hand sculpted. In the marine pleasure craft industry, the exterior of the model is formed from a foam lay-up that is either hand cut or machined to create smooth lines. Engineers and researchers at Oak Ridge National Laboratory s Manufacturing Demonstration Facility (ORNL MDF) collaborated with Magnum Venus Products (MVP) in the development of a process for reproducing legacy whitewater adventure craft via digital scanning and large scale 3-D printed layup molds. The process entailed 3D scanning a legacy canoe form, converting that form to a CAD model, additively manufacturing (3-D Print) the mold tool, and subtractively finishing the mold s transfer surfaces. Future work will include applying a gelcoat to the mold transfer surface and infusing using vacuum assisted resin transfer molding, or VARTM principles, to create a watertight vessel. The outlined steps were performed on a specific canoe geometry found by MVP s principal participant. The intent of utilizing this geometry is to develop an energy efficient and marketable process for replicating complex shapes, specifically focusing on this particular watercraft, and provide a finished product for demonstration to the composites industry. The culminating part produced through this agreement has been slated for public presentation and potential demonstration at the 2016 CAMX (Composites and Advanced Materials eXpo) exposition in Anaheim, CA. Phase I of this collaborative research and development agreement (MDF-15-68) was conducted under CRADA NFE-15-05575 and was initiated on May 7, 2015, with an introduction to the MVP product line, and concluded in March of 2016 with the printing of and processing of a canoe mold. The project partner Magnum Venous Products (MVP) is

  20. Recent advances in techniques for tsetse-fly control*

    PubMed Central

    MacLennan, K. J. R.

    1967-01-01

    With the advent of modern persistent insecticides, it has become possible to utilize some of the knowledge that has accumulated on the ecology and bionomics of Glossina and to devise more effective techniques for the control and eventual extermination of these species. The present article, based on experience of the tsetse fly problem in Northern Nigeria, points out that the disadvantages of control techniques—heavy expenditure of money and manpower and undue damage to the biosystem—can now largely be overcome by basing the application of insecticides on knowledge of the habits of the particular species of Glossina in a particular environment. Two factors are essential to the success of a control project: the proper selection of sites for spraying (the concept of restricted application) and the degree of persistence of the insecticide used. Reinfestation from within or outside the project area must also be taken into account. These and other aspects are discussed in relation to experience gained from a successful extermination project carried out in the Sudan vegetation zone and from present control activities in the Northern Guinea vegetation zone. PMID:5301739

  1. Advances in Current Rating Techniques for Flexible Printed Circuits

    NASA Technical Reports Server (NTRS)

    Hayes, Ron

    2014-01-01

    Twist Capsule Assemblies are power transfer devices commonly used in spacecraft mechanisms that require electrical signals to be passed across a rotating interface. Flexible printed circuits (flex tapes, see Figure 2) are used to carry the electrical signals in these devices. Determining the current rating for a given trace (conductor) size can be challenging. Because of the thermal conditions present in this environment the most appropriate approach is to assume that the only means by which heat is removed from the trace is thru the conductor itself, so that when the flex tape is long the temperature rise in the trace can be extreme. While this technique represents a worst-case thermal situation that yields conservative current ratings, this conservatism may lead to overly cautious designs when not all traces are used at their full rated capacity. A better understanding of how individual traces behave when they are not all in use is the goal of this research. In the testing done in support of this paper, a representative flex tape used for a flight Solar Array Drive Assembly (SADA) application was tested by energizing individual traces (conductors in the tape) in a vacuum chamber and the temperatures of the tape measured using both fine-gauge thermocouples and infrared thermographic imaging. We find that traditional derating schemes used for bundles of wires do not apply for the configuration tested. We also determine that single active traces located in the center of a flex tape operate at lower temperatures than those on the outside edges.

  2. Advanced Manufacturing Techniques Demonstrated for Fabricating Developmental Hardware

    NASA Technical Reports Server (NTRS)

    Redding, Chip

    2004-01-01

    NASA Glenn Research Center's Engineering Development Division has been working in support of innovative gas turbine engine systems under development by Glenn's Combustion Branch. These one-of-a-kind components require operation under extreme conditions. High-temperature ceramics were chosen for fabrication was because of the hostile operating environment. During the designing process, it became apparent that traditional machining techniques would not be adequate to produce the small, intricate features for the conceptual design, which was to be produced by stacking over a dozen thin layers with many small features that would then be aligned and bonded together into a one-piece unit. Instead of using traditional machining, we produced computer models in Pro/ENGINEER (Parametric Technology Corporation (PTC), Needham, MA) to the specifications of the research engineer. The computer models were exported in stereolithography standard (STL) format and used to produce full-size rapid prototype polymer models. These semi-opaque plastic models were used for visualization and design verification. The computer models also were exported in International Graphics Exchange Specification (IGES) format and sent to Glenn's Thermal/Fluids Design & Analysis Branch and Applied Structural Mechanics Branch for profiling heat transfer and mechanical strength analysis.

  3. Simulation of an advanced techniques of ion propulsion Rocket system

    NASA Astrophysics Data System (ADS)

    Bakkiyaraj, R.

    2016-07-01

    The ion propulsion rocket system is expected to become popular with the development of Deuterium,Argon gas and Hexagonal shape Magneto hydrodynamic(MHD) techniques because of the stimulation indirectly generated the power from ionization chamber,design of thrust range is 1.2 N with 40 KW of electric power and high efficiency.The proposed work is the study of MHD power generation through ionization level of Deuterium gas and combination of two gaseous ions(Deuterium gas ions + Argon gas ions) at acceleration stage.IPR consists of three parts 1.Hexagonal shape MHD based power generator through ionization chamber 2.ion accelerator 3.Exhaust of Nozzle.Initially the required energy around 1312 KJ/mol is carrying out the purpose of deuterium gas which is changed to ionization level.The ionized Deuterium gas comes out from RF ionization chamber to nozzle through MHD generator with enhanced velocity then after voltage is generated across the two pairs of electrode in MHD.it will produce thrust value with the help of mixing of Deuterium ion and Argon ion at acceleration position.The simulation of the IPR system has been carried out by MATLAB.By comparing the simulation results with the theoretical and previous results,if reaches that the proposed method is achieved of thrust value with 40KW power for simulating the IPR system.

  4. Advances in low energy neutral atom imaging techniques

    SciTech Connect

    Scime, E.E.; Funsten, H.O.; McComas, D.J.; Moore, K.R. ); Gruntman, M. . Space Sciences Center)

    1993-01-01

    Recently proposed low energy neutral atom (LENA) imaging techniques use a collisional process to convert the low energy neutrals into ions before detection. At low energies, collisional processes limit the angular resolution and conversion efficiencies of these devices. However, if the intense ultraviolet light background can be suppressed, direct LENA detection is possible. We present results from a series of experiments designed to develop a novel filtering structure based on free-standing transmission gratings. If the grating period is sufficiently small, free standing transmission gratings can be employed to substantially polarize ultraviolet (UV) light in the wavelength range 300 [Angstrom] to 1500 [Angstrom]. If a second grating is placed behind the first grating with its axis of polarization oriented at a right angle to the first's, a substantial attenuation of UV radiation is achievable. ne neutrals will pass through the remaining open area of two gratings and be detected without UV background complications. We have obtained nominal 2000 [Angstrom] period (1000 [Angstrom] bars with 1000 [Angstrom] slits) free standing, gold transmission gratings and measured their UV and atomic transmission characteristics. The geometric factor of a LENA imager based on this technology is comparable to that of other proposed LENA imagers. In addition, this of imager does not distort the neutral trajectories, allowing for high angular resolution.

  5. Advanced signal processing technique for damage detection in steel tubes

    NASA Astrophysics Data System (ADS)

    Amjad, Umar; Yadav, Susheel Kumar; Dao, Cac Minh; Dao, Kiet; Kundu, Tribikram

    2016-04-01

    In recent years, ultrasonic guided waves gained attention for reliable testing and characterization of metals and composites. Guided wave modes are excited and detected by PZT (Lead Zirconate Titanate) transducers either in transmission or reflection mode. In this study guided waves are excited and detected in the transmission mode and the phase change of the propagating wave modes are recorded. In most of the other studies reported in the literature, the change in the received signal strength (amplitude) is investigated with varying degrees of damage while in this study the change in phase is correlated with the extent of damage. Feature extraction techniques are used for extracting phase and time-frequency information. The main advantage of this approach is that the bonding condition between the transducer and the specimen does not affect the phase while it can affect the strength of recorded signal. Therefore, if the specimen is not damaged but the transducer-specimen bonding is deteriorated then the received signal strength is altered but the phase remains same and thus false positive predictions for damage can be avoided.

  6. Advanced techniques for determining long term compatibility of materials with propellants

    NASA Technical Reports Server (NTRS)

    Green, R. L.; Stebbins, J. P.; Smith, A. W.; Pullen, K. E.

    1973-01-01

    A method for the prediction of propellant-material compatibility for periods of time up to ten years is presented. Advanced sensitive measurement techniques used in the prediction method are described. These include: neutron activation analysis, radioactive tracer technique, and atomic absorption spectroscopy with a graphite tube furnace sampler. The results of laboratory tests performed to verify the prediction method are presented.

  7. Biotechnology Apprenticeship for Secondary-Level Students: Teaching Advanced Cell Culture Techniques for Research

    ERIC Educational Resources Information Center

    Lewis, Jennifer R.; Kotur, Mark S.; Butt, Omar; Kulcarni, Sumant; Riley, Alyssa A.; Ferrell, Nick; Sullivan, Kathryn D.; Ferrari, Mauro

    2002-01-01

    The purpose of this article is to discuss "small-group apprenticeships (SGAs)" as a method to instruct cell culture techniques to high school participants. The study aimed to teach cell culture practices and to introduce advanced imaging techniques to solve various biomedical engineering problems. Participants designed and completed experiments…

  8. Advanced Techniques for Reservoir Simulation and Modeling of Non-Conventional Wells

    SciTech Connect

    Durlofsky, Louis J.

    2000-08-28

    This project targets the development of (1) advanced reservoir simulation techniques for modeling non-conventional wells; (2) improved techniques for computing well productivity (for use in reservoir engineering calculations) and well index (for use in simulation models), including the effects of wellbore flow; and (3) accurate approaches to account for heterogeneity in the near-well region.

  9. Biotechnology Apprenticeship for Secondary-Level Students: Teaching Advanced Cell Culture Techniques for Research.

    ERIC Educational Resources Information Center

    Lewis, Jennifer R.; Kotur, Mark S.; Butt, Omar; Kulcarni, Sumant; Riley, Alyssa A.; Ferrell, Nick; Sullivan, Kathryn D.; Ferrari, Mauro

    2002-01-01

    Discusses small-group apprenticeships (SGAs) as a method for introducing cell culture techniques to high school participants. Teaches cell culture practices and introduces advance imaging techniques to solve various biomedical engineering problems. Clarifies and illuminates the value of small-group laboratory apprenticeships. (Author/KHR)

  10. (1)H NMR at Larmor frequencies down to 3Hz by means of Field-Cycling techniques.

    PubMed

    Kresse, B; Becher, M; Privalov, A F; Hofmann, M; Rössler, E A; Vogel, M; Fujara, F

    2017-04-01

    Field-Cycling (FC) NMR experiments were carried out at (1)H Larmor frequencies down to about 3Hz. This could be achieved by fast switching a high polarizing magnetic field down to a low evolution field which is tilted with respect to the polarization field. Then, the low frequency Larmor precession of the nuclear spin magnetization about this evolution field is registered by means of FIDs in a high detection field. The crucial technical point of the experiment is the stabilization of the evolution field, which is achieved by compensating for temporal magnetic field fluctuations of all three spatial components. The paper reports on some other basic low field experiments such as the simultaneous measurement of the Larmor frequency and the spin-lattice relaxation time in such small fields as well as the irradiation of oscillating transversal magnetic field pulses at very low frequencies as a novel method for field calibration in low field FC NMR. The potential of low field FC is exemplified by the (1)H relaxation dispersion of water at frequencies below about 2kHz stemming from the slow proton exchange process.

  11. Adsorption mechanism at the molecular level between polymers and uremic octapeptide by the 2D 1H NMR Technique.

    PubMed

    Li, Guohua; Li, Jihong; Wang, Wei; Yang, Mei; Zhang, Yuanwei; Sun, Pingchuan; Yuan, Zhi; He, Binglin; Yu, Yaoting

    2006-06-01

    To remove uremic octapeptide from the blood stream of uremic patients, various modified polyacylamide cross-linked absorbents were prepared. Adsorption experiments showed these absorbents have significant differences in adsorption capacity to the target peptide. In this paper, two-dimension proton nuclear magnetic resonance (2D 1H NMR) spectroscopy was used to investigate the interaction mechanism between the peptide and the adsorbents. Because of the insolubility of the absorbent, some soluble linear polymers with the same functional groups as the absorbents were employed as the model adsorbents in 2D 1H NMR. The preferred binding site for the peptide and polymers was identified to be at the C-terminal carboxyl group of the octapeptide via chemical shift perturbation effects. In this study, we found that hydrogen bonding, electrostatic, and hydrophobic interactions all play a role in the interaction force but had different contributions. Especially, the great chemical shift changes of the aromatic amino acid residues (Trp) during the interaction between butyl-modified polyacrylamide and octapeptide suggested the hydrophobic interaction, incorporated with the electrostatic force, played an important role in the binding reaction in aqueous solutions. This information not only rationally explained the results of the adsorption experiments, but also identified the effective binding site and mechanism, and shall provide a structural basis for designing better affinity-type adsorbents for the target peptide.

  12. Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods.

    PubMed

    Pucheta, Jose Enrique Herbert; Prim, Damien; Gillet, Jean Michel; Farjon, Jonathan

    2016-04-04

    The presence of water has been shown to deeply impact the stability and geometry of Zn complexes in solution. Evidence for tetra- and penta-coordinated species in a pyridylmethylamine-Zn(II) model complex is presented. Novel (1) H NMR tools such as T1 -filtered selective exchange spectroscopy and pure shifted gradient-encoded selective refocusing as well as classical 2D ((1) H-(1) H) exchange spectroscopy, diffusion-ordered spectroscopy and T1 ((1) H) measurements, in combination with density functional theory methods allow the full conformational dynamics of a pyridylmethylamine-Zn(II) complex to be revealed. Four conformers and two families of complexes depending on the hydration states are elucidated.

  13. A Novel Microcharacterization Technique in the Measurement of Strain and Orientation Gradient in Advanced Materials

    NASA Technical Reports Server (NTRS)

    Garmestai, H.; Harris, K.; Lourenco, L.

    1997-01-01

    Representation of morphology and evolution of the microstructure during processing and their relation to properties requires proper experimental techniques. Residual strains, lattice distortion, and texture (micro-texture) at the interface and the matrix of a layered structure or a functionally gradient material and their variation are among parameters important in materials characterization but hard to measure with present experimental techniques. Current techniques available to measure changes in interred material parameters (residual stress, micro-texture, microplasticity) produce results which are either qualitative or unreliable. This problem becomes even more complicated in the case of a temperature variation. These parameters affect many of the mechanical properties of advanced materials including stress-strain relation, ductility, creep, and fatigue. A review of some novel experimental techniques using recent advances in electron microscopy is presented here to measure internal stress, (micro)texture, interracial strength and (sub)grain formation and realignment. Two of these techniques are combined in the chamber of an Environmental Scanning Electron Microscope to measure strain and orientation gradients in advanced materials. These techniques which include Backscattered Kikuchi Diffractometry (BKD) and Microscopic Strain Field Analysis are used to characterize metallic and intermetallic matrix composites and superplastic materials. These techniques are compared with the more conventional x-ray diffraction and indentation techniques.

  14. Modulation/demodulation techniques for satellite communications. Part 2: Advanced techniques. The linear channel

    NASA Technical Reports Server (NTRS)

    Omura, J. K.; Simon, M. K.

    1982-01-01

    A theory is presented for deducing and predicting the performance of transmitter/receivers for bandwidth efficient modulations suitable for use on the linear satellite channel. The underlying principle used is the development of receiver structures based on the maximum-likelihood decision rule. The application of the performance prediction tools, e.g., channel cutoff rate and bit error probability transfer function bounds to these modulation/demodulation techniques.

  15. Advanced combustion techniques for controlling NO sub x emissions of high altitude cruise aircraft

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Reck, G. M.

    1976-01-01

    An array of experiments designed to explore the potential of advanced combustion techniques for controlling the emissions of aircraft into the upper atmosphere was discussed. Of particular concern are the oxides of nitrogen (NOx) emissions into the stratosphere. The experiments utilize a wide variety of approaches varying from advanced combustor concepts to fundamental flame tube experiments. Results are presented which indicate that substantial reductions in cruise NOx emissions should be achievable in future aircraft engines. A major NASA program is described which focuses the many fundamental experiments into a planned evolution and demonstration of the prevaporized-premixed combustion technique in a full-scale engine.

  16. POC-Scale Testing of an Advanced Fine Coal Dewatering Equipment/Technique

    SciTech Connect

    Karekh, B K; Tao, D; Groppo, J G

    1998-08-28

    Froth flotation technique is an effective and efficient process for recovering of ultra-fine (minus 74 mm) clean coal. Economical dewatering of an ultra-fine clean coal product to a 20% level moisture will be an important step in successful implementation of the advanced cleaning processes. This project is a step in the Department of Energy's program to show that ultra-clean coal could be effectively dewatered to 20% or lower moisture using either conventional or advanced dewatering techniques. The cost-sharing contract effort is for 45 months beginning September 30, 1994. This report discusses technical progress made during the quarter from January 1 - March 31, 1998.

  17. Quality of farmed and wild sea bass lipids studied by (1)H NMR: usefulness of this technique for differentiation on a qualitative and a quantitative basis.

    PubMed

    Vidal, Natalia P; Manzanos, Maria J; Goicoechea, Encarnación; Guillén, Maria D

    2012-12-01

    Proton Nuclear Magnetic Resonance ((1)H NMR) spectroscopy was employed to study the lipids of farmed and wild European sea bass (Dicentrarchus labrax). This technique provided a great deal of detailed information on sea bass lipids composition and, once the spectra signals have been assigned, the simple observation of the spectra enables one to distinguish cultured from wild fish. This distinction is possible due to the presence in the former of high proportions of diunsaturated acyl groups, mainly linoleic. Furthermore, new approaches for quantitative characterization of sea bass lipids were developed. For the same season wild sea bass lipids contain not only higher molar percentages of omega-3 and of docosahexaenoic (DHA), but also higher concentrations of phosphatidylcholine and of cholesterol than farmed ones. However, in general, the absolute content of DHA and of eicosapentaenoic plus arachidonic (EPA+ARA) acyl groups as well as of phosphatidylcholine and cholesterol, were reasonably higher in farmed than in wild sea bass fillets, due to the higher total lipid content of the former. The presence of omega-1 acyl groups in all farmed samples and in some of the wild specimens was shown. As far as we know, this is the first time that omega-1 acyl groups have been identified and quantified in fish lipids by (1)H NMR.

  18. 4-hydroxyphenylacetic acid derivatives of inositol from dandelion (Taraxacum officinale) root characterised using LC-SPE-NMR and LC-MS techniques.

    PubMed

    Kenny, O; Smyth, T J; Hewage, C M; Brunton, N P; McLoughlin, P

    2014-02-01

    The combination of hyphenated techniques, LC-SPE-NMR and LC-MS, to isolate and identify minor isomeric compounds from an ethyl acetate fraction of Taraxacum officinale root was employed in this study. Two distinct fractions of 4-hydroxyphenylacetic acid derivatives of inositol were isolated and characterised by spectroscopic methods. The (1)H NMR spectra and MS data revealed two groups of compounds, one of which were derivatives of the di-4-hydroxyphenylacetic acid derivative of the inositol compound tetrahydroxy-5-[2-(4-hydroxyphenyl)acetyl] oxycyclohexyl-2-(4-hydroxyphenyl) acetate, while the other group consisted of similar tri-substituted inositol derivatives. For both fractions the derivatives of inositols vary in the number of 4-hydroxyphenylacetic acid groups present and their position and geometry on the inositol ring. In total, three di-substituted and three tri-substituted 4-hydroxyphenylacetic acid inositol derivates were identified for the first time along with a further two previously reported di-substituted inositol derivatives.

  19. Revealing Potential Biomarkers of Functional Dyspepsia by Combining 1H NMR Metabonomics Techniques and an Integrative Multi-objective Optimization Method.

    PubMed

    Wu, Qiaofeng; Zou, Meng; Yang, Mingxiao; Zhou, Siyuan; Yan, Xianzhong; Sun, Bo; Wang, Yong; Chang, Shyang; Tang, Yong; Liang, Fanrong; Yu, Shuguang

    2016-01-08

    Metabonomics methods have gradually become important auxiliary tools for screening disease biomarkers. However, recognition of metabolites or potential biomarkers closely related to either particular clinical symptoms or prognosis has been difficult. The current study aims to identify potential biomarkers of functional dyspepsia (FD) by a new strategy that combined hydrogen nuclear magnetic resonance ((1)H NMR)-based metabonomics techniques and an integrative multi-objective optimization (LPIMO) method. First, clinical symptoms of FD were evaluated using the Nepean Dyspepsia Index (NDI), and plasma metabolic profiles were measured by (1)H NMR. Correlations between the key metabolites and the NDI scores were calculated. Then, LPIMO was developed to identify a multi-biomarker panel by maximizing diagnostic ability and correlation with the NDI score. Finally, a KEGG database search elicited the metabolic pathways in which the potential biomarkers are involved. The results showed that glutamine, alanine, proline, HDL, β-glucose, α-glucose and LDL/VLDL levels were significantly altered in FD patients. Among them, phosphatidycholine (PtdCho) and leucine/isoleucine (Leu/Ile) were positively and negatively correlated with the NDI Symptom Index (NDSI) respectively. Our procedure not only significantly improved the credibility of the biomarkers, but also demonstrated the potential of further explorations and applications to diagnosis and treatment of complex disease.

  20. Revealing Potential Biomarkers of Functional Dyspepsia by Combining 1H NMR Metabonomics Techniques and an Integrative Multi-objective Optimization Method

    PubMed Central

    Wu, Qiaofeng; Zou, Meng; Yang, Mingxiao; Zhou, Siyuan; Yan, Xianzhong; Sun, Bo; Wang, Yong; Chang, Shyang; Tang, Yong; Liang, Fanrong; Yu, Shuguang

    2016-01-01

    Metabonomics methods have gradually become important auxiliary tools for screening disease biomarkers. However, recognition of metabolites or potential biomarkers closely related to either particular clinical symptoms or prognosis has been difficult. The current study aims to identify potential biomarkers of functional dyspepsia (FD) by a new strategy that combined hydrogen nuclear magnetic resonance (1H NMR)-based metabonomics techniques and an integrative multi-objective optimization (LPIMO) method. First, clinical symptoms of FD were evaluated using the Nepean Dyspepsia Index (NDI), and plasma metabolic profiles were measured by 1H NMR. Correlations between the key metabolites and the NDI scores were calculated. Then, LPIMO was developed to identify a multi-biomarker panel by maximizing diagnostic ability and correlation with the NDI score. Finally, a KEGG database search elicited the metabolic pathways in which the potential biomarkers are involved. The results showed that glutamine, alanine, proline, HDL, β-glucose, α-glucose and LDL/VLDL levels were significantly altered in FD patients. Among them, phosphatidycholine (PtdCho) and leucine/isoleucine (Leu/Ile) were positively and negatively correlated with the NDI Symptom Index (NDSI) respectively. Our procedure not only significantly improved the credibility of the biomarkers, but also demonstrated the potential of further explorations and applications to diagnosis and treatment of complex disease. PMID:26743458

  1. Modulation/demodulation techniques for satellite communications. Part 3: Advanced techniques. The nonlinear channel

    NASA Technical Reports Server (NTRS)

    Omura, J. K.; Simon, M. K.

    1982-01-01

    A theory for deducing and predicting the performance of transmitter/receivers for bandwidth efficient modulations suitable for use on the nonlinear satellite channel is presented. The underlying principle used throughout is the development of receiver structures based on the maximum likelihood decision rule and aproximations to it. The bit error probability transfer function bounds developed in great detail in Part 4 is applied to these modulation/demodulation techniques. The effects of the various degrees of receiver mismatch are considered both theoretically and by numerous illustrative examples.

  2. Application of Advanced Magnetic Resonance Imaging Techniques in Evaluation of the Lower Extremity

    PubMed Central

    Braun, Hillary J.; Dragoo, Jason L.; Hargreaves, Brian A.; Levenston, Marc E.; Gold, Garry E.

    2012-01-01

    Synopsis This article reviews current magnetic resonance imaging techniques for imaging the lower extremity, focusing on imaging of the knee, ankle, and hip joints. Recent advancements in MRI include imaging at 7 Tesla, using multiple receiver channels, T2* imaging, and metal suppression techniques, allowing more detailed visualization of complex anatomy, evaluation of morphological changes within articular cartilage, and imaging around orthopedic hardware. PMID:23622097

  3. Advances in neutron radiographic techniques and applications: a method for nondestructive testing.

    PubMed

    Berger, Harold

    2004-10-01

    A brief history of neutron radiography is presented to set the stage for a discussion of significant neutron radiographic developments and an assessment of future directions for neutron radiography. Specific advances are seen in the use of modern, high dynamic range imaging methods (image plates and flat panels) and for high contrast techniques such as phase contrast, and phase-sensitive imaging. Competition for neutron radiographic inspection may develop as these techniques offer application prospects for X-ray methods.

  4. The role of water in protein's behavior: The two dynamical crossovers studied by NMR and FTIR techniques.

    PubMed

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Vasi, Sebastiano; Vasi, Cirino; Dugo, Giacomo

    2015-01-01

    The role the solvent plays in determining the biological activity of proteins is of primary importance. Water is the solvent of life and proteins need at least a water monolayer covering their surface in order to become biologically active. We study how the properties of water and the effect of its coupling with the hydrophilic moieties of proteins govern the regime of protein activity. In particular we follow, by means of Fourier Transform Infrared spectroscopy, the thermal evolution of the amide vibrational modes of hydrated lysozyme in the temperature interval 180 K < T < 350 K. In such a way we are able to observe the thermal limit of biological activity characterizing hydrated lysozyme. Finally we focus on the region of lysozyme thermal denaturation by following the evolution of the proton Nuclear Magnetic Resonance (NMR) spectra for 298 K < T < 366 K with the High-Resolution Magic Angle Spinning probe. Our data suggest that the hydrogen bond coupling between hydration water and protein hydrophilic groups is crucial in triggering the main mechanisms that define the enzymatic activity of proteins.

  5. The role of water in protein's behavior: The two dynamical crossovers studied by NMR and FTIR techniques

    PubMed Central

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Vasi, Sebastiano; Vasi, Cirino; Dugo, Giacomo

    2014-01-01

    The role the solvent plays in determining the biological activity of proteins is of primary importance. Water is the solvent of life and proteins need at least a water monolayer covering their surface in order to become biologically active. We study how the properties of water and the effect of its coupling with the hydrophilic moieties of proteins govern the regime of protein activity. In particular we follow, by means of Fourier Transform Infrared spectroscopy, the thermal evolution of the amide vibrational modes of hydrated lysozyme in the temperature interval 180 K < T < 350 K. In such a way we are able to observe the thermal limit of biological activity characterizing hydrated lysozyme. Finally we focus on the region of lysozyme thermal denaturation by following the evolution of the proton Nuclear Magnetic Resonance (NMR) spectra for 298 K < T < 366 K with the High-Resolution Magic Angle Spinning probe. Our data suggest that the hydrogen bond coupling between hydration water and protein hydrophilic groups is crucial in triggering the main mechanisms that define the enzymatic activity of proteins. PMID:25750698

  6. Application of k- and q-space encoding NMR techniques on granular media in a 3D model fluidized bed reactor

    NASA Astrophysics Data System (ADS)

    Harms, Silke; Stapf, Siegfried; Blümich, Bernhard

    2006-02-01

    A combination of PFG-NMR imaging and velocity encoding methods was applied to investigate the dynamic behavior of a bed of poppy seeds subjected to air flow, representing a model setup for fluidized bed reactors. The particle motion is described both from a statistical point of view, by determining propagators and dispersion coefficients representing an average over the whole bed volume, as well as combined with spatial resolution by generating velocity maps. Velocity images of different horizontal slices in the bed confirm the notion of a toroidal particle flow pattern inside the shallow granular bed. Despite the need of considerable averaging due to the random motion of the relatively few particles in the bed, quantitative velocity images and statistical information about the random particle motion can be obtained from monitoring the fluid component in the seeds by conventional spin-echo techniques.

  7. Advanced techniques for high resolution spectroscopic observations of cosmic gamma-ray sources

    NASA Technical Reports Server (NTRS)

    Matteson, J. L.; Pelling, M. R.; Peterson, L. E.; Lin, R. P.; Anderson, K. A.; Pehl, R. H.; Hurley, K. C.; Vedrenne, G.; Sniel, M.; Durouchoux, P.

    1985-01-01

    An advanced gamma-ray spectrometer that is currently in development is described. It will obtain a sensitivity of 0.0001 ph/sq cm./sec in a 6 hour balloon observation and uses innovative techniques for background reduction and source imaging.

  8. Recognizing and Managing Complexity: Teaching Advanced Programming Concepts and Techniques Using the Zebra Puzzle

    ERIC Educational Resources Information Center

    Crabtree, John; Zhang, Xihui

    2015-01-01

    Teaching advanced programming can be a challenge, especially when the students are pursuing different majors with diverse analytical and problem-solving capabilities. The purpose of this paper is to explore the efficacy of using a particular problem as a vehicle for imparting a broad set of programming concepts and problem-solving techniques. We…

  9. Real-time application of advanced three-dimensional graphic techniques for research aircraft simulation

    NASA Technical Reports Server (NTRS)

    Davis, Steven B.

    1990-01-01

    Visual aids are valuable assets to engineers for design, demonstration, and evaluation. Discussed here are a variety of advanced three-dimensional graphic techniques used to enhance the displays of test aircraft dynamics. The new software's capabilities are examined and possible future uses are considered.

  10. Fabrication of advanced electrochemical energy materials using sol-gel processing techniques

    NASA Technical Reports Server (NTRS)

    Chu, C. T.; Chu, Jay; Zheng, Haixing

    1995-01-01

    Advanced materials play an important role in electrochemical energy devices such as batteries, fuel cells, and electrochemical capacitors. They are being used as both electrodes and electrolytes. Sol-gel processing is a versatile solution technique used in fabrication of ceramic materials with tailored stoichiometry, microstructure, and properties. The application of sol-gel processing in the fabrication of advanced electrochemical energy materials will be presented. The potentials of sol-gel derived materials for electrochemical energy applications will be discussed along with some examples of successful applications. Sol-gel derived metal oxide electrode materials such as V2O5 cathodes have been demonstrated in solid-slate thin film batteries; solid electrolytes materials such as beta-alumina for advanced secondary batteries had been prepared by the sol-gel technique long time ago; and high surface area transition metal compounds for capacitive energy storage applications can also be synthesized with this method.

  11. Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

    ERIC Educational Resources Information Center

    Borman, Stuart A.

    1982-01-01

    Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

  12. NMR imaging microscopy

    SciTech Connect

    Not Available

    1986-10-01

    In the past several years, proton nuclear magnetic resonance (NMR) imaging has become an established technique in diagnostic medicine and biomedical research. Although much of the work in this field has been directed toward development of whole-body imagers, James Aguayo, Stephen Blackband, and Joseph Schoeninger of the Johns Hopkins University School of Medicine working with Markus Hintermann and Mark Mattingly of Bruker Medical Instruments, recently developed a small-bore NMR microscope with sufficient resolution to image a single African clawed toad cell (Nature 1986, 322, 190-91). This improved resolution should lead to increased use of NMR imaging for chemical, as well as biological or physiological, applications. The future of NMR microscopy, like that of many other newly emerging techniques, is ripe with possibilities. Because of its high cost, however, it is likely to remain primarily a research tool for some time. ''It's like having a camera,'' says Smith. ''You've got a way to look at things at very fine levels, and people are going to find lots of uses for it. But it is a very expensive technique - it costs $100,000 to add imaging capability once you have a high-resolution NMR, which itself is at least a $300,000 instrument. If it can answer even a few questions that can't be answered any other way, though, it may be well worth the cost.''

  13. Advanced techniques for determining long term compatibility of materials with propellants

    NASA Technical Reports Server (NTRS)

    Green, R. L.

    1972-01-01

    The search for advanced measurement techniques for determining long term compatibility of materials with propellants was conducted in several parts. A comprehensive survey of the existing measurement and testing technology for determining material-propellant interactions was performed. Selections were made from those existing techniques which were determined could meet or be made to meet the requirements. Areas of refinement or changes were recommended for improvement of others. Investigations were also performed to determine the feasibility and advantages of developing and using new techniques to achieve significant improvements over existing ones. The most interesting demonstration was that of the new technique, the volatile metal chelate analysis. Rivaling the neutron activation analysis in terms of sensitivity and specificity, the volatile metal chelate technique was fully demonstrated.

  14. Magic Angle Spinning NMR Metabolomics

    SciTech Connect

    Zhi Hu, Jian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

  15. Recent advances in 3D computed tomography techniques for simulation and navigation in hepatobiliary pancreatic surgery.

    PubMed

    Uchida, Masafumi

    2014-04-01

    A few years ago it could take several hours to complete a 3D image using a 3D workstation. Thanks to advances in computer science, obtaining results of interest now requires only a few minutes. Many recent 3D workstations or multimedia computers are equipped with onboard 3D virtual patient modeling software, which enables patient-specific preoperative assessment and virtual planning, navigation, and tool positioning. Although medical 3D imaging can now be conducted using various modalities, including computed tomography (CT), magnetic resonance imaging (MRI), positron emission tomography (PET), and ultrasonography (US) among others, the highest quality images are obtained using CT data, and CT images are now the most commonly used source of data for 3D simulation and navigation image. If the 2D source image is bad, no amount of 3D image manipulation in software will provide a quality 3D image. In this exhibition, the recent advances in CT imaging technique and 3D visualization of the hepatobiliary and pancreatic abnormalities are featured, including scan and image reconstruction technique, contrast-enhanced techniques, new application of advanced CT scan techniques, and new virtual reality simulation and navigation imaging.

  16. Monitoring changes in the structure and properties of humic substances following ozonation using UV-Vis, FTIR and (1)H NMR techniques.

    PubMed

    Rodríguez, Francisco J; Schlenger, Patrick; García-Valverde, María

    2016-01-15

    The main objective of this work is to conduct a comprehensive structural characterization of humic substances using the following experimental techniques: FTIR, 1H NMR and several UV–Vis parameters (Specific UV Absorbance at 254 nm or SUVA254, SUVA280, A400, the absorbance ratios A210/254, A250/365, A254/203, A254/436, A265/465, A270/400, A280/350, A465/665, the Absorbance Slope Index (ASI), the spectral slopes S275–295, S350–400 and the slope ratio SR). These UV–Vis parameters have also been correlated with key properties of humic substances such as aromaticity, molecular weight (MW) and trihalomethane formation potential (THMFP). An additional objective of this work is also to evaluate the usefulness of these techniques to monitor structural changes in humic substances produced by the ozonation treatment. Four humic substances were studied in this work: three of them were provided by the International Humic Substances Society (Suwannee River Fulvic Acid Standard: SRFA, Suwannee River Humic Acid Standard: SRHA and Nordic Reservoir Fulvic Acid Reference: NLFA) and the other one was a terrestrial humic acid widely used as a surrogate for aquatic humic substances in various studies (Aldrich Humic Acid: AHA). The UV–Vis parameters showing the best correlations with aromaticity in this study were SUVA254, SUVA280, A280/A350 ratio and A250/A364 ratio. The best correlations with molecular weight were for SUVA254, SUVA280 and A280/A350 ratio. Finally, in the case of the THMFP it was STHMFP-per mol HS the parameter showing good correlations with most of the UV–Vis parameters studied (especially with A280/A350 ratio, A265/A465 ratio and A270/A400 ratio) whereas STHMFP-per mg C showed poor correlations in most cases. On the whole, the UV–Vis parameter showing the best results was A280/A350 ratio as it showed excellent correlations for the three properties studied (aromaticity, MW and THMFP). A decrease in aromaticity following ozonation of humic substances can

  17. Advances in the surface modification techniques of bone-related implants for last 10 years

    PubMed Central

    Qiu, Zhi-Ye; Chen, Cen; Wang, Xiu-Mei; Lee, In-Seop

    2014-01-01

    At the time of implanting bone-related implants into human body, a variety of biological responses to the material surface occur with respect to surface chemistry and physical state. The commonly used biomaterials (e.g. titanium and its alloy, Co–Cr alloy, stainless steel, polyetheretherketone, ultra-high molecular weight polyethylene and various calcium phosphates) have many drawbacks such as lack of biocompatibility and improper mechanical properties. As surface modification is very promising technology to overcome such problems, a variety of surface modification techniques have been being investigated. This review paper covers recent advances in surface modification techniques of bone-related materials including physicochemical coating, radiation grafting, plasma surface engineering, ion beam processing and surface patterning techniques. The contents are organized with different types of techniques to applicable materials, and typical examples are also described. PMID:26816626

  18. Unified Instrumentation: Examining the Simultaneous Application of Advanced Measurement Techniques for Increased Wind Tunnel Testing Capability

    NASA Technical Reports Server (NTRS)

    Fleming, Gary A. (Editor); Bartram, Scott M.; Humphreys, William M., Jr.; Jenkins, Luther N.; Jordan, Jeffrey D.; Lee, Joseph W.; Leighty, Bradley D.; Meyers, James F.; South, Bruce W.; Cavone, Angelo A.; Ingram, JoAnne L.

    2002-01-01

    A Unified Instrumentation Test examining the combined application of Pressure Sensitive Paint, Projection Moire Interferometry, Digital Particle Image Velocimetry, Doppler Global Velocimetry, and Acoustic Microphone Array has been conducted at the NASA Langley Research Center. The fundamental purposes of conducting the test were to: (a) identify and solve compatibility issues among the techniques that would inhibit their simultaneous application in a wind tunnel, and (b) demonstrate that simultaneous use of advanced instrumentation techniques is feasible for increasing tunnel efficiency and identifying control surface actuation / aerodynamic reaction phenomena. This paper provides summary descriptions of each measurement technique used during the Unified Instrumentation Test, their implementation for testing in a unified fashion, and example results identifying areas of instrument compatibility and incompatibility. Conclusions are drawn regarding the conditions under which the measurement techniques can be operated simultaneously on a non-interference basis. Finally, areas requiring improvement for successfully applying unified instrumentation in future wind tunnel tests are addressed.

  19. Advanced combustion techniques for controlling NO/x/ emissions of high altitude cruise aircraft

    NASA Technical Reports Server (NTRS)

    Rudey, R. A.; Reck, G. M.

    1976-01-01

    An array of experiments have been and continue to be sponsored and conducted by NASA to explore the potential of advanced combustion techniques for controlling the emissions of aircraft into the upper atmosphere. Of particular concern are the oxides of nitrogen (NO/x/) emissions into the stratosphere. The experiments utilize a wide variety of approaches varying from advanced combustor concepts to fundamental flame tube experiments. Results are presented which indicate that substantial reductions in cruise NO/x/ emissions should be achievable in future aircraft engines. A major NASA program is described which focuses the many fundamental experiments into a planned evolution and demonstration of the prevaporized-premixed combustion technique in a full-scale engine.

  20. POC-scale testing of an advanced fine coal dewatering equipment/technique

    SciTech Connect

    1998-09-01

    Froth flotation technique is an effective and efficient process for recovering of ultra-fine (minus 74 pm) clean coal. Economical dewatering of an ultra-fine clean-coal product to a 20% level moisture will be an important step in successful implementation of the advanced cleaning processes. This project is a step in the Department of Energy`s program to show that ultra-clean coal could be effectively dewatered to 20% or lower moisture using either conventional or advanced dewatering techniques. The cost-sharing contract effort is for 36 months beginning September 30, 1994. This report discusses technical progress made during the quarter from July 1 - September 30, 1997.

  1. Imaging of skull base pathologies: Role of advanced magnetic resonance imaging techniques

    PubMed Central

    Mathur, Ankit; Kesavadas, C; Thomas, Bejoy; Kapilamoorthy, TR

    2015-01-01

    Imaging plays a vital role in evaluation of skull base pathologies as this region is not directly accessible for clinical evaluation. Computerized tomography (CT) and magnetic resonance imaging (MRI) have played complementary roles in the diagnosis of the various neoplastic and non-neoplastic lesions of the skull base. However, CT and conventional MRI may at times be insufficient to correctly pinpoint the accurate diagnosis. Advanced MRI techniques, though difficult to apply in the skull base region, in conjunction with CT and conventional MRI can however help in improving the diagnostic accuracy. This article aims to highlight the importance of advanced MRI techniques like diffusion-weighted imaging, susceptibility-weighted imaging, perfusion-weighted imaging, and MR spectroscopy in differentiation of various lesions involving the skull base. PMID:26427895

  2. Versatile 1H-31P-31P COSY 2D NMR Techniques for the Characterization of Polyphosphorylated Small Molecules

    PubMed Central

    Majumdar, Ananya; Sun, Yan; Shah, Meha; Freel Meyers, Caren L.

    2010-01-01

    Di- and triphosphorylated small molecules represent key intermediates in a wide range of biological and chemical processes. The importance of polyphosphorylated species in biology and medicine underscores the need to develop methods for the detection and characterization of this compound class. We have reported two-dimensional HPP-COSY spectroscopy techniques to identify diphosphate-containing metabolic intermediates at sub-millimolar concentrations in the methylerythritol phosphate (MEP) isoprenoid biosynthetic pathway.1 In this work, we explore the scope of HPP-COSY based techniques to characterize a diverse group of small organic molecules bearing di- and tri-phosphorylated moieties. These include molecules containing P–O–P and P–C–P connectivities, multivalent P(III)–O–P(V) phosphorus nuclei with widely separated chemical shifts, as well as virtually overlapping 31P resonances exhibiting strong coupling effects. We also demonstrate the utility of these experiments to rapidly distinguish between mono- and diphosphates. A detailed protocol for optimizing these experiments to achieve best performance is presented. PMID:20408590

  3. New test techniques and analytical procedures for understanding the behavior of advanced propellers

    NASA Technical Reports Server (NTRS)

    Stefko, G. L.; Bober, L. J.; Neumann, H. E.

    1983-01-01

    Analytical procedures and experimental techniques were developed to improve the capability to design advanced high speed propellers. Some results from the propeller lifting line and lifting surface aerodynamic analysis codes are compared with propeller force data, probe data and laser velocimeter data. In general, the code comparisons with data indicate good qualitative agreement. A rotating propeller force balance demonstrated good accuracy and reduced test time by 50 percent. Results from three propeller flow visualization techniques are shown which illustrate some of the physical phenomena occurring on these propellers.

  4. Advanced digital modulation: Communication techniques and monolithic GaAs technology

    NASA Technical Reports Server (NTRS)

    Wilson, S. G.; Oliver, J. D., Jr.; Kot, R. C.; Richards, C. R.

    1983-01-01

    Communications theory and practice are merged with state-of-the-art technology in IC fabrication, especially monolithic GaAs technology, to examine the general feasibility of a number of advanced technology digital transmission systems. Satellite-channel models with (1) superior throughput, perhaps 2 Gbps; (2) attractive weight and cost; and (3) high RF power and spectrum efficiency are discussed. Transmission techniques possessing reasonably simple architectures capable of monolithic fabrication at high speeds were surveyed. This included a review of amplitude/phase shift keying (APSK) techniques and the continuous-phase-modulation (CPM) methods, of which MSK represents the simplest case.

  5. Development of advanced electron holographic techniques and application to industrial materials and devices.

    PubMed

    Yamamoto, Kazuo; Hirayama, Tsukasa; Tanji, Takayoshi

    2013-06-01

    The development of a transmission electron microscope equipped with a field emission gun paved the way for electron holography to be put to practical use in various fields. In this paper, we review three advanced electron holography techniques: on-line real-time electron holography, three-dimensional (3D) tomographic holography and phase-shifting electron holography, which are becoming important techniques for materials science and device engineering. We also describe some applications of electron holography to the analysis of industrial materials and devices: GaAs compound semiconductors, solid oxide fuel cells and all-solid-state lithium ion batteries.

  6. Combined preputial advancement and phallopexy as a revision technique for treating paraphimosis in a dog.

    PubMed

    Wasik, S M; Wallace, A M

    2014-11-01

    A 7-year-old neutered male Jack Russell terrier-cross was presented for signs of recurrent paraphimosis, despite previous surgical enlargement of the preputial ostium. Revision surgery was performed using a combination of preputial advancement and phallopexy, which resulted in complete and permanent coverage of the glans penis by the prepuce, and at 1 year postoperatively, no recurrence of paraphimosis had been observed. The combined techniques allow preservation of the normal penile anatomy, are relatively simple to perform and provide a cosmetic result. We recommend this combination for the treatment of paraphimosis in the dog, particularly when other techniques have failed.

  7. [Principles and advanced techniques for better internetpresentations in obstetrics and gynecology].

    PubMed

    Seufert, R; Molitor, N; Pollow, K; Woernle, F; Hawighorst-Knapstein, S

    2001-08-01

    Internet presentations are common tools for better medical communication and better scientific work. Meanwhile a great number of gynecological and obstetrical institutions present data via the world wide web within a wide range of quality and performance. Specific HTML editors offer quick and easy presentations, but only advanced internet techniques enable interesting multimedia presentations. N-tier applications are the future standard and we must integrate them in general informatical systems. New Concepts, actual tools and general problems will be discussed and new principles similar to actual E commerce techniques are able to solve our special medical demands.

  8. Noncompaction cardiomyopathy: The role of advanced multimodality imaging techniques in diagnosis and assessment.

    PubMed

    Chebrolu, Lakshmi H; Mehta, Anjlee M; Nanda, Navin C

    2017-02-01

    Noncompaction cardiomyopathy (NCCM) is a unique cardiomyopathy with a diverse array of genotypic and phenotypic manifestations. Its hallmark morphology consists of a bilayered myocardium with a compact epicardial layer and prominent trabeculations that comprise the noncompacted endocardial layer. The controversial diagnostic criteria for NCCM have been frequently discussed in the literature. This review touches on those diagnostic criteria, delves further into the evolving use of advanced imaging techniques within the major imaging modalities (echocardiography, computed tomography, and cardiac magnetic resonance imaging), and proposes an alternative algorithm incorporating these techniques for aiding with the diagnosis of NCCM.

  9. The investigation of advanced remote sensing techniques for the measurement of aerosol characteristics

    NASA Technical Reports Server (NTRS)

    Deepak, A.; Becher, J.

    1979-01-01

    Advanced remote sensing techniques and inversion methods for the measurement of characteristics of aerosol and gaseous species in the atmosphere were investigated. Of particular interest were the physical and chemical properties of aerosols, such as their size distribution, number concentration, and complex refractive index, and the vertical distribution of these properties on a local as well as global scale. Remote sensing techniques for monitoring of tropospheric aerosols were developed as well as satellite monitoring of upper tropospheric and stratospheric aerosols. Computer programs were developed for solving multiple scattering and radiative transfer problems, as well as inversion/retrieval problems. A necessary aspect of these efforts was to develop models of aerosol properties.

  10. An example of requirements for Advanced Subsonic Civil Transport (ASCT) flight control system using structured techniques

    NASA Technical Reports Server (NTRS)

    Mclees, Robert E.; Cohen, Gerald C.

    1991-01-01

    The requirements are presented for an Advanced Subsonic Civil Transport (ASCT) flight control system generated using structured techniques. The requirements definition starts from initially performing a mission analysis to identify the high level control system requirements and functions necessary to satisfy the mission flight. The result of the study is an example set of control system requirements partially represented using a derivative of Yourdon's structured techniques. Also provided is a research focus for studying structured design methodologies and in particular design-for-validation philosophies.

  11. Study of advanced techniques for determining the long term performance of components

    NASA Technical Reports Server (NTRS)

    1973-01-01

    The application of existing and new technology to the problem of determining the long-term performance capability of liquid rocket propulsion feed systems is discussed. The long term performance of metal to metal valve seats in a liquid propellant fuel system is stressed. The approaches taken in conducting the analysis are: (1) advancing the technology of characterizing components through the development of new or more sensitive techniques and (2) improving the understanding of the physical of degradation.

  12. Two dimensional NMR spectroscopic approaches for exploring plant metabolome: A review

    PubMed Central

    Mahrous, Engy A.; Farag, Mohamed A.

    2014-01-01

    Today, most investigations of the plant metabolome tend to be based on either nuclear magnetic resonance (NMR) spectroscopy or mass spectrometry (MS), with or without hyphenation with chromatography. Although less sensitive than MS, NMR provides a powerful complementary technique for the identification and quantification of metabolites in plant extracts. NMR spectroscopy, well appreciated by phytochemists as a particularly information-rich method, showed recent paradigm shift for the improving of metabolome(s) structural and functional characterization and for advancing the understanding of many biological processes. Furthermore, two dimensional NMR (2D NMR) experiments and the use of chemometric data analysis of NMR spectra have proven highly effective at identifying novel and known metabolites that correlate with changes in genotype or phenotype. In this review, we provide an overview of the development of NMR in the field of metabolomics with special focus on 2D NMR spectroscopic techniques and their applications in phytomedicines quality control analysis and drug discovery from natural sources, raising more attention at its potential to reduce the gap between the pace of natural products research and modern drug discovery demand. PMID:25685540

  13. ADVANCING THE FUNDAMENTAL UNDERSTANDING AND SCALE-UP OF TRISO FUEL COATERS VIA ADVANCED MEASUREMENT AND COMPUTATIONAL TECHNIQUES

    SciTech Connect

    Biswas, Pratim; Al-Dahhan, Muthanna

    2012-11-01

    to advance the fundamental understanding of the hydrodynamics by systematically investigating the effect of design and operating variables, to evaluate the reported dimensionless groups as scaling factors, and to establish a reliable scale-up methodology for the TRISO fuel particle spouted bed coaters based on hydrodynamic similarity via advanced measurement and computational techniques. An additional objective is to develop an on-line non-invasive measurement technique based on gamma ray densitometry (i.e. Nuclear Gauge Densitometry) that can be installed and used for coater process monitoring to ensure proper performance and operation and to facilitate the developed scale-up methodology. To achieve the objectives set for the project, the work will use optical probes and gamma ray computed tomography (CT) (for the measurements of solids/voidage holdup cross-sectional distribution and radial profiles along the bed height, spouted diameter, and fountain height) and radioactive particle tracking (RPT) (for the measurements of the 3D solids flow field, velocity, turbulent parameters, circulation time, solids lagrangian trajectories, and many other of spouted bed related hydrodynamic parameters). In addition, gas dynamic measurement techniques and pressure transducers will be utilized to complement the obtained information. The measurements obtained by these techniques will be used as benchmark data to evaluate and validate the computational fluid dynamic (CFD) models (two fluid model or discrete particle model) and their closures. The validated CFD models and closures will be used to facilitate the developed methodology for scale-up, design and hydrodynamic similarity. Successful execution of this work and the proposed tasks will advance the fundamental understanding of the coater flow field and quantify it for proper and safe design, scale-up, and performance. Such achievements will overcome the barriers to AGR applications and will help assure that the US maintains

  14. Potential of advanced MR imaging techniques in the differential diagnosis of parkinsonism.

    PubMed

    Hotter, Anna; Esterhammer, Regina; Schocke, Michael F H; Seppi, Klaus

    2009-01-01

    The clinical differentiation of parkinsonian syndromes remains challenging not only for neurologists but also for movement disorder specialists. Conventional magnetic resonance imaging (cMRI) with the visual assessment of T2- and T1-weighted imaging as well as different advanced MRI techniques offer objective measures, which may be a useful tool in the diagnostic work-up of Parkinson's disease and atypical parkinsonian disorders (APDs). In clinical practice, cMRI is a well-established method for the exclusion of symptomatic parkinsonism due to other pathologies. Over the past two decades, abnormalities in the basal ganglia and infratentorial structures have been shown especially in APDs not only by cMRI but also by different advanced MRI techniques, including methods to assess regional cerebral atrophy quantitatively such as magnetic resonance volumetry, proton magnetic resonance spectroscopy, diffusion-weighted imaging, and magnetization transfer imaging. This article aims to review recent research findings on the role of advanced MRI techniques in the differential diagnosis of neurodegenerative parkinsonian disorders.

  15. Advanced in situ spectroscopic techniques and their applications in environmental biogeochemistry: introduction to the special section.

    PubMed

    Lombi, Enzo; Hettiarachchi, Ganga M; Scheckel, Kirk G

    2011-01-01

    Understanding the molecular-scale complexities and interplay of chemical and biological processes of contaminants at solid, liquid, and gas interfaces is a fundamental and crucial element to enhance our understanding of anthropogenic environmental impacts. The ability to describe the complexity of environmental biogeochemical reaction mechanisms relies on our analytical ability through the application and developmemnt of advanced spectroscopic techniques. Accompanying this introductory article are nine papers that either review advanced in situ spectroscopic methods or present original research utilizing these techniques. This collection of articles summarizes the challenges facing environmental biogeochemistry, highlights the recent advances and scientific gaps, and provides an outlook into future research that may benefit from the use of in situ spectroscopic approaches. The use of synchrotron-based techniques and other methods are discussed in detail, as is the importance to integrate multiple analytical approaches to confirm results of complementary procedures or to fill data gaps. We also argue that future direction in research will be driven, in addition to recent analytical developments, by emerging factors such as the need for risk assessment of new materials (i.e., nanotechnologies) and the realization that biogeochemical processes need to be investigated in situ under environmentally relevant conditions.

  16. POC-scale testing of an advanced fine coal dewatering equipment/technique

    SciTech Connect

    Groppo, J.G.; Parekh, B.K.; Rawls, P.

    1995-11-01

    Froth flotation technique is an effective and efficient process for recovering of ultra-fine (minus 74 {mu}m) clean coal. Economical dewatering of an ultra-fine clean coal product to a 20 percent level moisture will be an important step in successful implementation of the advanced cleaning processes. This project is a step in the Department of Energy`s program to show that ultra-clean coal could be effectively dewatered to 20 percent or lower moisture using either conventional or advanced dewatering techniques. As the contract title suggests, the main focus of the program is on proof-of-concept testing of a dewatering technique for a fine clean coal product. The coal industry is reluctant to use the advanced fine coal recovery technology due to the non-availability of an economical dewatering process. in fact, in a recent survey conducted by U.S. DOE and Battelle, dewatering of fine clean coal was identified as the number one priority for the coal industry. This project will attempt to demonstrate an efficient and economic fine clean coal slurry dewatering process.

  17. Advanced Time-Resolved Fluorescence Microscopy Techniques for the Investigation of Peptide Self-Assembly

    NASA Astrophysics Data System (ADS)

    Anthony, Neil R.

    The ubiquitous cross beta sheet peptide motif is implicated in numerous neurodegenerative diseases while at the same time offers remarkable potential for constructing isomorphic high-performance bionanomaterials. Despite an emerging understanding of the complex folding landscape of cross beta structures in determining disease etiology and final structure, we lack knowledge of the critical initial stages of nucleation and growth. In this dissertation, I advance our understanding of these key stages in the cross-beta nucleation and growth pathways using cutting-edge microscopy techniques. In addition, I present a new combined time-resolved fluorescence analysis technique with the potential to advance our current understanding of subtle molecular level interactions that play a pivotal role in peptide self-assembly. Using the central nucleating core of Alzheimer's Amyloid-beta protein, Abeta(16 22), as a model system, utilizing electron, time-resolved, and non-linear microscopy, I capture the initial and transient nucleation stages of peptide assembly into the cross beta motif. In addition, I have characterized the nucleation pathway, from monomer to paracrystalline nanotubes in terms of morphology and fluorescence lifetime, corroborating the predicted desolvation process that occurs prior to cross-beta nucleation. Concurrently, I have identified unique heterogeneous cross beta domains contained within individual nanotube structures, which have potential bionanomaterials applications. Finally, I describe a combined fluorescence theory and analysis technique that dramatically increases the sensitivity of current time-resolved techniques. Together these studies demonstrate the potential for advanced microscopy techniques in the identification and characterization of the cross-beta folding pathway, which will further our understanding of both amyloidogenesis and bionanomaterials.

  18. Advanced Magnetic Resonance Techniques for the Structural Characterization of Aminoxyl Radicals and Their Inorganic-Organic Nanocomposite Systems.

    PubMed

    Eckert, Hellmut

    2016-11-15

    Electron and nuclear spins are extremely sensitive probes of their local structural and dynamic surroundings. Their Zeeman energy levels are modified by different types of local magnetic and electric fields created by their structural environment, which influence their magnetic resonance condition. For this reason, electron spin resonance (ESR) and nuclear magnetic resonance (NMR) spectroscopies have become extremely powerful tools of structural analysis, which are being widely used for the structural characterization of complex solids. Following a brief introduction into the basic theoretical foundations the most commonly used techniques and their application towards the structural characterization of paramagnetic solids based on aminoxyl radicals and their inorganic-organic nanocomposites will be described. Both ESR and NMR observables are useful for monitoring intermolecular interactions between unpaired electron spins, which are particularly important for the design of organically based ferromagnetic systems. ESR and NMR methods based on this effect can be used for monitoring the synthesis of polynitroxides and for evaluating the catalytic function of aminoxyl intercalation compounds. Finally, the sensitivity of ESR signals to motional dynamics can be exploited for characterizing molecule-surface interactions in nanocomposite systems. In the context of the latter work recently developed signal enhancement strategies are described, using polarization transfer from electron spins to nuclear spins for NMR spectroscopic detection.

  19. Multispectral Analysis of NMR Imagery

    NASA Technical Reports Server (NTRS)

    Butterfield, R. L.; Vannier, M. W. And Associates; Jordan, D.

    1985-01-01

    Conference paper discusses initial efforts to adapt multispectral satellite-image analysis to nuclear magnetic resonance (NMR) scans of human body. Flexibility of these techniques makes it possible to present NMR data in variety of formats, including pseudocolor composite images of pathological internal features. Techniques do not have to be greatly modified from form in which used to produce satellite maps of such Earth features as water, rock, or foliage.

  20. Applications of Advanced Nondestructive Measurement Techniques to Address Safety of Flight Issues on NASA Spacecraft

    NASA Technical Reports Server (NTRS)

    Prosser, Bill

    2016-01-01

    Advanced nondestructive measurement techniques are critical for ensuring the reliability and safety of NASA spacecraft. Techniques such as infrared thermography, THz imaging, X-ray computed tomography and backscatter X-ray are used to detect indications of damage in spacecraft components and structures. Additionally, sensor and measurement systems are integrated into spacecraft to provide structural health monitoring to detect damaging events that occur during flight such as debris impacts during launch and assent or from micrometeoroid and orbital debris, or excessive loading due to anomalous flight conditions. A number of examples will be provided of how these nondestructive measurement techniques have been applied to resolve safety critical inspection concerns for the Space Shuttle, International Space Station (ISS), and a variety of launch vehicles and unmanned spacecraft.

  1. Accelerated Testing Methodology in Constant Stress-Rate Testing for Advanced Structural Ceramics: A Preloading Technique

    NASA Technical Reports Server (NTRS)

    Choi, Sung R.; Gyekenyesi, John P.; Huebert, Dean; Bartlett, Allen; Choi, Han-Ho

    2001-01-01

    Preloading technique was used as a means of an accelerated testing methodology in constant stress-rate ('dynamic fatigue') testing for two different brittle materials. The theory developed previously for fatigue strength as a function of preload was further verified through extensive constant stress-rate testing for glass-ceramic and CRT glass in room temperature distilled water. The preloading technique was also used in this study to identify the prevailing failure mechanisms at elevated temperatures, particularly at lower test rate in which a series of mechanisms would be associated simultaneously with material failure, resulting in significant strength increase or decrease. Two different advanced ceramics including SiC whisker-reinforced composite silicon nitride and 96 wt% alumina were used at elevated temperatures. It was found that the preloading technique can be used as an additional tool to pinpoint the dominant failure mechanism that is associated with such a phenomenon of considerable strength increase or decrease.

  2. Accelerated Testing Methodology in Constant Stress-Rate Testing for Advanced Structural Ceramics: A Preloading Technique

    NASA Technical Reports Server (NTRS)

    Choi, Sung R.; Gyekenyesi, John P.; Huebert, Dean; Bartlett, Allen; Choi, Han-Ho

    2001-01-01

    Preloading technique was used as a means of an accelerated testing methodology in constant stress-rate (dynamic fatigue) testing for two different brittle materials. The theory developed previously for fatigue strength as a function of preload was further verified through extensive constant stress-rate testing for glass-ceramic and CRT glass in room temperature distilled water. The preloading technique was also used in this study to identify the prevailing failure mechanisms at elevated temperatures, particularly at lower test rates in which a series of mechanisms would be associated simultaneously with material failure, resulting in significant strength increase or decrease. Two different advanced ceramics including SiC whisker-reinforced composite silicon nitride and 96 wt% alumina were used at elevated temperatures. It was found that the preloading technique can be used as an additional tool to pinpoint the dominant failure mechanism that is associated with such a phenomenon of considerable strength increase or decrease.

  3. Recent advances in computational methods for nuclear magnetic resonance data processing.

    PubMed

    Gao, Xin

    2013-02-01

    Although three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.

  4. Dereplication of antioxidant compounds in Bene (Pistacia atlantica subsp. mutica) hull using a multiplex approach of HPLC-DAD, LC-MS and (1)H NMR techniques.

    PubMed

    Rezaie, Mitra; Farhoosh, Reza; Pham, Ngoc; Quinn, Ronald J; Iranshahi, Mehrdad

    2016-01-05

    Bene is an edible fruit from the tree Pistacia atlantica subsp. mutica, and is of steadily growing interest in recent years due to its significant antioxidant properties and potential health benefits. An antioxidant activity-guided fractionation of the methanol extract from Bene hull together with an integrated approach of HPLC-DAD, LC-MS and (1)H NMR techniques led to the identification of main antioxidant phenolic compounds for the first time. Radical scavenging activity of each fraction/compound was tested using DPPH and FRAP assays. The phenolic content of the fractions was also determined by Folin-Ciocalteu's method. The main identified antioxidant compounds were luteolin (46.53% w/w of total extract), gallic acid (9.84% w/w), 2″-O-galloylisoquercitrin (0.53% w/w), quercetin 3-rutinoside (0.34% w/w) and 2″-O-cis-caffeoylquercitrin (0.26% w/w). The minor antioxidant compounds were also identified by liquid chromatography-positive/negative electrospray ionization tandem mass spectrometry. The structure-antioxidant activity relationship of identified phenolics are also discussed in this paper.

  5. Isolation and identification of two novel attractant compounds from Chinese cockroach (Eupolyphaga sinensis Walker) by combination of HSCCC, NMR and CD techniques.

    PubMed

    Jiang, Wei; Wu, Xiaodan; Wu, Bin

    2013-09-13

    High-speed counter-current chromatography (HSCCC) with a two-phase solvent system composed of n-hextane-ethyl acetate-methanol-water (1.5:1:1.5:1, v/v/v/v) was applied to the isolation and purification of attractants from Chinese cockroach, Eupolyphaga sinensis Walker. Two new attractants with attractant activity towards the male insects were obtained from the extract sample in a one-step separation. Their purities were determined by HPLC. Subsequent MS, NMR and CD analyses have led to the characterization of (R)-3-ethyl-6,8-dihydroxy-7-methyl-3,4-dihydroisochromen-1-one (1) and (R)-6,8-dihydroxy-3,7-dimethyl-3,4-dihydroisochromen-1-one (2), two novel isocumarin type attractants. Based on these results, it is concluded that HSCCC is a viable separation method option for purifying insect attractants, while effectively maintaining the attracting activity of the isolates. This is the first attempt to apply counter-current chromatography technique to separate attractants from Chinese cockroach.

  6. Mechanisms of amyloid formation revealed by solution NMR

    PubMed Central

    Karamanos, Theodoros K.; Kalverda, Arnout P.; Thompson, Gary S.; Radford, Sheena E.

    2015-01-01

    Amyloid fibrils are proteinaceous elongated aggregates involved in more than fifty human diseases. Recent advances in electron microscopy and solid state NMR have allowed the characterization of fibril structures to different extents of refinement. However, structural details about the mechanism of fibril formation remain relatively poorly defined. This is mainly due to the complex, heterogeneous and transient nature of the species responsible for assembly; properties that make them difficult to detect and characterize in structural detail using biophysical techniques. The ability of solution NMR spectroscopy to investigate exchange between multiple protein states, to characterize transient and low-population species, and to study high molecular weight assemblies, render NMR an invaluable technique for studies of amyloid assembly. In this article we review state-of-the-art solution NMR methods for investigations of: (a) protein dynamics that lead to the formation of aggregation-prone species; (b) amyloidogenic intrinsically disordered proteins; and (c) protein–protein interactions on pathway to fibril formation. Together, these topics highlight the power and potential of NMR to provide atomic level information about the molecular mechanisms of one of the most fascinating problems in structural biology. PMID:26282197

  7. NMRFx Processor: a cross-platform NMR data processing program.

    PubMed

    Norris, Michael; Fetler, Bayard; Marchant, Jan; Johnson, Bruce A

    2016-08-01

    NMRFx Processor is a new program for the processing of NMR data. Written in the Java programming language, NMRFx Processor is a cross-platform application and runs on Linux, Mac OS X and Windows operating systems. The application can be run in both a graphical user interface (GUI) mode and from the command line. Processing scripts are written in the Python programming language and executed so that the low-level Java commands are automatically run in parallel on computers with multiple cores or CPUs. Processing scripts can be generated automatically from the parameters of NMR experiments or interactively constructed in the GUI. A wide variety of processing operations are provided, including methods for processing of non-uniformly sampled datasets using iterative soft thresholding. The interactive GUI also enables the use of the program as an educational tool for teaching basic and advanced techniques in NMR data analysis.

  8. The micro-scale synthesis of (117)Sn-enriched tributyltin chloride and its characterization by GC-ICP-MS and NMR techniques.

    PubMed

    Peeters, Kelly; Iskra, Jernej; Zuliani, Tea; Ščančar, Janez; Milačič, Radmila

    2014-07-01

    Organotin compounds (OTCs) are among the most toxic substances ever introduced to the environment by man. They are common pollutants in marine ecosystems, but are also present in the terrestrial environment, accumulated mainly in sewage sludge and landfill leachates. In investigations of the degradation and methylation processes of OTC in environmental samples, the use of enriched isotopic tracers represents a powerful analytical tool. Sn-enriched OTC are also necessary in application of the isotope dilution mass spectrometry technique for their accurate quantification. Since Sn-enriched monobutyltin (MBT), dibutyltin (DBT) and tributyltin (TBT) are not commercially available as single species, "in house" synthesis of individual butyltin-enriched species is necessary. In the present work, the preparation of the most toxic butyltin, namely TBT, was performed via a simple synthetic path, starting with bromination of metallic Sn, followed by butylation with butyl lithium. The tetrabutyltin (TeBT) formed was transformed to tributyltin chloride (TBTCl) using concentrated hydrochloric acid (HCl). The purity of the synthesized TBT was verified by speciation analysis using the techniques of gas chromatography coupled to inductively coupled plasma mass spectrometry (GC-ICP-MS) and nuclear magnetic resonance (NMR). The results showed that TBT had a purity of more than 97%. The remaining 3% corresponded to DBT. TBT was quantified by reverse isotope dilution GC-ICP-MS. The synthesis yield was around 60%. The advantage of this procedure over those previously reported lies in its possibility to be applied on a micro-scale (starting with 10mg of metallic Sn). This feature is of crucial importance, since enriched metallic Sn is extremely expensive. The procedure is simple and repeatable, and was successfully applied for the preparation of (117)Sn-enriched TBTCl from (117)Sn-enriched metal.

  9. System engineering techniques for establishing balanced design and performance guidelines for the advanced telerobotic testbed

    NASA Technical Reports Server (NTRS)

    Zimmerman, W. F.; Matijevic, J. R.

    1987-01-01

    Novel system engineering techniques have been developed and applied to establishing structured design and performance objectives for the Telerobotics Testbed that reduce technical risk while still allowing the testbed to demonstrate an advancement in state-of-the-art robotic technologies. To estblish the appropriate tradeoff structure and balance of technology performance against technical risk, an analytical data base was developed which drew on: (1) automation/robot-technology availability projections, (2) typical or potential application mission task sets, (3) performance simulations, (4) project schedule constraints, and (5) project funding constraints. Design tradeoffs and configuration/performance iterations were conducted by comparing feasible technology/task set configurations against schedule/budget constraints as well as original program target technology objectives. The final system configuration, task set, and technology set reflected a balanced advancement in state-of-the-art robotic technologies, while meeting programmatic objectives and schedule/cost constraints.

  10. Mini-dental implant insertion with the auto-advance technique for ongoing applications.

    PubMed

    Balkin, B E; Steflik, D E; Naval, F

    2001-01-01

    The clinical and histological results of two cases demonstrating retrieved Sendax mini-dental implants in two different patients is the focus of this report. The mini-dental implants were inserted using the auto-advance technique and loaded immediately. The implants were retrieved at 4 months following insertion and at 5 months following insertion and were prepared and reviewed histologically. Clinically, the implants had no mobility, with no apparent exudate or bleeding upon probing, prior to removal. At the time explant procedures were performed, the mini-dental implants had provided immediate support for prostheses during the integration of traditional root-form endosteal implants. Upon explantation, the mini-dental implants were in a state of health and functioning in their intended purpose. Histologically, the bone appeared to be integrated to the surface of the implant at the light microscope level, and the bone appeared to be relatively mature and healthy in the areas observed, more so than one would expect in this amount of time from insertion of mini-dental implants with immediate loading. A discussion of the purposes and technique used for insertion and removal of these mini-dental implants is discussed. This is the first human histological report on the auto-advance technique with immediate loading of mini-dental implants, demonstrating feasibility in ongoing applications.

  11. State-of-the-art characterization techniques for advanced lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Lu, Jun; Wu, Tianpin; Amine, Khalil

    2017-03-01

    To meet future needs for industries from personal devices to automobiles, state-of-the-art rechargeable lithium-ion batteries will require both improved durability and lowered costs. To enhance battery performance and lifetime, understanding electrode degradation mechanisms is of critical importance. Various advanced in situ and operando characterization tools developed during the past few years have proven indispensable for optimizing battery materials, understanding cell degradation mechanisms, and ultimately improving the overall battery performance. Here we review recent progress in the development and application of advanced characterization techniques such as in situ transmission electron microscopy for high-performance lithium-ion batteries. Using three representative electrode systems—layered metal oxides, Li-rich layered oxides and Si-based or Sn-based alloys—we discuss how these tools help researchers understand the battery process and design better battery systems. We also summarize the application of the characterization techniques to lithium-sulfur and lithium-air batteries and highlight the importance of those techniques in the development of next-generation batteries.

  12. Advanced Molecular Diagnostic Techniques for Detection of Food-borne Pathogens; Current Applications and Future Challenges.

    PubMed

    Umesha, S; Manukumar, H M

    2016-01-08

    The elimination of disease-causing microbes from the food supply is a primary goal and this review deals with the overall techniques availavle for detection of food-borne pathogens. Now-a-days conventional methods are replaced by advanced methods like Biosensors, Nucleic Acid-based Tests (NAT) and different PCR based techniques used in molecular biology to identify specific pathogens. Bacillus cereus, Staphylococcus aureus, Proteus vulgaris, Escherichia coli, Campylobacter, Listeria monocytogenes, Salmonella spp, Aspergillus spp. Fusarium spp. Penicillium spp., and pathogens are detected in contaminated food items which cause always diseases in human in any one or the other way. Identification of food-borne pathogens in a short period of time is still a challenge to the scientific field in general and food technology in particular. The low level of food contamination by major pathogens requires specific sensitive detection platforms and the present area of hot research looking forward to new nanomolecular techniques for nanomaterials, make them suitable for the development of assays with high sensitivity, response time and portability. With the sound of these we attemet to highlight a comprehensive overview about food-borne pathogen detection by rapid, sensitive, accurate and cost affordable in situ analytical methods from conventional methods to recent molecular approaches for advanced food and microbiology research.

  13. NMR-based metabolomics of prostate cancer: a protagonist in clinical diagnostics.

    PubMed

    Kumar, Deepak; Gupta, Ashish; Nath, Kavindra

    2016-06-01

    Advances in the application of NMR spectroscopy-based metabolomic profiling of prostate cancer comprises a potential tactic for understanding the impaired biochemical pathways arising due to a disease evolvement and progression. This technique involves qualitative and quantitative estimation of plethora of small molecular weight metabolites of body fluids or tissues using state-of-the-art chemometric methods delivering an important platform for translational research from basic to clinical, to reveal the pathophysiological snapshot in a single step. This review summarizes the present arrays and recent advancements in NMR-based metabolomics and a glimpse of currently used medical imaging tactics, with their role in clinical diagnosis of prostate cancer.

  14. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for Column CO2 Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Nehrir, A. R.; Harrison, F. W.; Obland, M. D.; Ismail, S.; Meadows, B.; Browell, E. V.

    2014-12-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper.

  15. Extrusion based rapid prototyping technique: an advanced platform for tissue engineering scaffold fabrication.

    PubMed

    Hoque, M Enamul; Chuan, Y Leng; Pashby, Ian

    2012-02-01

    Advances in scaffold design and fabrication technology have brought the tissue engineering field stepping into a new era. Conventional techniques used to develop scaffolds inherit limitations, such as lack of control over the pore morphology and architecture as well as reproducibility. Rapid prototyping (RP) technology, a layer-by-layer additive approach offers a unique opportunity to build complex 3D architectures overcoming those limitations that could ultimately be tailored to cater for patient-specific applications. Using RP methods, researchers have been able to customize scaffolds to mimic the biomechanical properties (in terms of structural integrity, strength, and microenvironment) of the organ or tissue to be repaired/replaced quite closely. This article provides intensive description on various extrusion based scaffold fabrication techniques and review their potential utility for TE applications. The extrusion-based technique extrudes the molten polymer as a thin filament through a nozzle onto a platform layer-by-layer and thus building 3D scaffold. The technique allows full control over pore architecture and dimension in the x- and y- planes. However, the pore height in z-direction is predetermined by the extruding nozzle diameter rather than the technique itself. This review attempts to assess the current state and future prospects of this technology.

  16. Advanced techniques and technology for efficient data storage, access, and transfer

    NASA Technical Reports Server (NTRS)

    Rice, Robert F.; Miller, Warner

    1991-01-01

    Advanced techniques for efficiently representing most forms of data are being implemented in practical hardware and software form through the joint efforts of three NASA centers. These techniques adapt to local statistical variations to continually provide near optimum code efficiency when representing data without error. Demonstrated in several earlier space applications, these techniques are the basis of initial NASA data compression standards specifications. Since the techniques clearly apply to most NASA science data, NASA invested in the development of both hardware and software implementations for general use. This investment includes high-speed single-chip very large scale integration (VLSI) coding and decoding modules as well as machine-transferrable software routines. The hardware chips were tested in the laboratory at data rates as high as 700 Mbits/s. A coding module's definition includes a predictive preprocessing stage and a powerful adaptive coding stage. The function of the preprocessor is to optimally process incoming data into a standard form data source that the second stage can handle.The built-in preprocessor of the VLSI coder chips is ideal for high-speed sampled data applications such as imaging and high-quality audio, but additionally, the second stage adaptive coder can be used separately with any source that can be externally preprocessed into the 'standard form'. This generic functionality assures that the applicability of these techniques and their recent high-speed implementations should be equally broad outside of NASA.

  17. Techniques for measurement of the thermal expansion of advanced composite materials

    NASA Technical Reports Server (NTRS)

    Tompkins, Stephen S.

    1989-01-01

    Techniques available to measure small thermal displacements in flat laminates and structural tubular elements of advanced composite materials are described. Emphasis is placed on laser interferometry and the laser interferometric dilatometer system used at the National Aeronautics and Space Administration (NASA) Langley Research Center. Thermal expansion data are presented for graphite-fiber reinforced 6061 and 2024 aluminum laminates and for graphite fiber reinforced AZ91 C and QH21 A magnesium laminates before and after processing to minimize or eliminate thermal strain hysteresis. Data are also presented on the effects of reinforcement volume content on thermal expansion of silicon-carbide whisker and particulate reinforced aluminum.

  18. Advanced techniques in IR thermography as a tool for the pest management professional

    NASA Astrophysics Data System (ADS)

    Grossman, Jon L.

    2006-04-01

    Within the past five years, the Pest Management industry has become aware that IR thermography can aid in the detection of pest infestations and locate other conditions that are within the purview of the industry. This paper will review the applications that can be utilized by the pest management professional and discuss the advanced techniques that may be required in conjunction with thermal imaging to locate insect and other pest infestations, moisture within structures, the verification of data and the special challenges associated with the inspection process.

  19. Measuring the microbiome: perspectives on advances in DNA-based techniques for exploring microbial life

    PubMed Central

    Bunge, John; Gilbert, Jack A.; Moore, Jason H.

    2012-01-01

    This article reviews recent advances in ‘microbiome studies’: molecular, statistical and graphical techniques to explore and quantify how microbial organisms affect our environments and ourselves given recent increases in sequencing technology. Microbiome studies are moving beyond mere inventories of specific ecosystems to quantifications of community diversity and descriptions of their ecological function. We review the last 24 months of progress in this sort of research, and anticipate where the next 2 years will take us. We hope that bioinformaticians will find this a helpful springboard for new collaborations with microbiologists. PMID:22308073

  20. Reliable Welding of HSLA Steels by Square Wave Pulsing Using an Advanced Sensing (EDAP) Technique.

    DTIC Science & Technology

    1986-04-30

    situation is the result of welding on A710 steel . (A similar effect on welding on HY80 ?) The following is offered by Woods and Milner (Ref. 12): "The...AD-R69 762 RELIABLE MELDING OF HSLA STEELS BY SQUARE MAVE PULSING 1/2 USING AN ADV NCED.. (U) APPLIED FUSION TECHNOLOGIES INC FORT COLLINS CO C...6 p . 0 Report 0001 AZ AD-A 168 762 I "RELIABLE WELDING OF HSLA STEELS BY SQUARE WAVE PULSING USING AN ADVANCED SENSING (EDAP) TECHNIQUE- Preliminary

  1. From Molecular Structure to Global Processes : NMR Spectroscopy in Analytical/Environmental Chemistry

    NASA Astrophysics Data System (ADS)

    Simpson, A.

    2009-04-01

    NMR Spectroscopy is arguably the most powerful tool to elucidate structure and probe molecular interactions. A range of NMR approaches will be introduced with emphasis on addressing and understanding structure and reactivity of soil organic matter at the molecular level. The presentation will be split into three main sections. The first section will look at evidence from advanced NMR based approaches that when considered synergistically describes the major structural components in soil organic matter. Multidimensional NMR spectroscopy (1-3D NMR), automated pattern matching, spectral simulations, diffusion NMR and hybrid-diffusion NMR will be introduced in context of molecular structure. Finally the structural components in soil will be contrasted to those found in aquatic dissolved organic matter. Secondly molecular interactions of natural organic matter will be considered. Advanced structural studies have provided detailed spectral assignments which in turn permit the reactivity of various soil components to be elucidated. Aggregation and self-association of soil and dissolved organic matter will be discussed along with the structural components likely responsible for aggregation/colloid formation. Interactions of soil organic matter with anthropogenic chemicals will also be considered and NMR techniques based on "Saturation Transfer Difference" introduced. These techniques are extremely powerful and can be used to both; describe mechanistically how anthropogenic chemicals sorb to whole soils and identify the structural components (lignin, protein, cellulose, etc..) that are responsible for the binding/sorption in soil. In the last section, the "big questions" and challenges facing the field will be considered along with some novel experimental NMR based approaches that should, in future, assist in providing answers to these questions.

  2. Advancing IM-CW Lidar Modulation Techniques for ASCENDS CO2 Column Measurements from Space

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Nehrir, A. R.; Harrison, F. W.; Chen, S.; Obland, M. D.

    2013-12-01

    Global atmospheric carbon dioxide (CO2) measurements through the Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) decadal survey recommended space mission are critical for improving our understanding of CO2 sources and sinks. IM-CW (Intensity Modulated Continuous Wave) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS science requirements. In previous laboratory and flight experiments we have successfully used linear swept frequency modulation to discriminate surface lidar returns from intermediate aerosol and cloud contamination. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate clouds, which is a requirement for the inversion of the CO2 column mixing ratio from the instrument optical depth measurements, has been demonstrated with the linear swept frequency modulation technique. We are concurrently investigating advanced techniques to help improve the auto-correlation properties of the transmitted waveform implemented through physical hardware to make cloud rejection more robust in special restricted scenarios. Several different modulation techniques are compared including orthogonal linear swept, orthogonal non-linear swept, time shifted PN, sine wave modulated PN, and sine wave pulsed PN. Different PN code techniques are presented that are appropriate for different types of lidar hardware, including our current ASCENDS IM-CW concept space hardware. These techniques have excellent auto-correlation properties without sidelobes while possessing a finite bandwidth (by way of a new cyclic digital filter), which will reduce bias error in the presence of multiple scatterers. Our analyses show that the studied modulation techniques can increase the accuracy of CO2 column measurements from space.

  3. Advances in Nuclear Magnetic Resonance for Drug Discovery

    PubMed Central

    Powers, Robert

    2010-01-01

    Background Drug discovery is a complex and unpredictable endeavor with a high failure rate. Current trends in the pharmaceutical industry have exasperated these challenges and are contributing to the dramatic decline in productivity observed over the last decade. The industrialization of science by forcing the drug discovery process to adhere to assembly-line protocols is imposing unnecessary restrictions, such as short project time-lines. Recent advances in nuclear magnetic resonance are responding to these self-imposed limitations and are providing opportunities to increase the success rate of drug discovery. Objective/Method A review of recent advancements in NMR technology that have the potential of significantly impacting and benefiting the drug discovery process will be presented. These include fast NMR data collection protocols and high-throughput protein structure determination, rapid protein-ligand co-structure determination, lead discovery using fragment-based NMR affinity screens, NMR metabolomics to monitor in vivo efficacy and toxicity for lead compounds, and the identification of new therapeutic targets through the functional annotation of proteins by FAST-NMR. Conclusion NMR is a critical component of the drug discovery process, where the versatility of the technique enables it to continually expand and evolve its role. NMR is expected to maintain this growth over the next decade with advancements in automation, speed of structure calculation, in-cell imaging techniques, and the expansion of NMR amenable targets. PMID:20333269

  4. Arthroscopically assisted Sauvé-Kapandji procedure: an advanced technique for distal radioulnar joint arthritis.

    PubMed

    Luchetti, Riccardo; Khanchandani, Prakash; Da Rin, Ferdinando; Borelli, Pierpaolo P; Mathoulin, Christophe; Atzei, Andrea

    2008-12-01

    Osteoarthritis of distal radioulnar joint (DRUJ) leads to chronic wrist pain, weakness of grip strength, and limitation of motion, all of which affect the quality of life of the patient. Over the years, several procedures have been used for the treatment of this condition; however, this condition still remains a therapeutic challenge for the hand surgeons. Many procedures such as Darrach procedure, Bower procedure, Sauvé-Kapandji procedure, and ulnar head replacement have been used. Despite many advances in wrist arthroscopy, arthroscopy has not been used for the treatment of arthritis of the DRUJ. We describe a novel technique of arthroscopically assisted Sauvé-Kapandji procedure for the arthritis of the DRUJ. The advantages of this technique are its less invasive nature, preservation of the extensor retinaculum, more anatomical position of the DRUJ, faster rehabilitation, and a better cosmesis.

  5. The search for neuroimaging biomarkers of Alzheimer's disease with advanced MRI techniques.

    PubMed

    Li, Tie-Qiang; Wahlund, Lars-Olof

    2011-03-01

    The aim of this review is to examine the recent literature on using advanced magnetic resonance imaging (MRI) techniques for finding neuroimaging biomarkers that are sensitive to the detection of risks for Alzheimer's disease (AD). Since structural MRI techniques, such as brain structural volumetry and voxel-based morphometry (VBM), have been widely used for AD studies and extensively reviewed, we will only briefly touch on the topics of volumetry and morphometry. The focus of the current review is about the more recent developments in the search for AD neuroimaging biomarkers with functional MRI (fMRI), resting-state functional connectivity MRI (fcMRI), diffusion tensor imaging (DTI), arterial spin-labeling (ASL), and magnetic resonance spectroscopy (MRS).

  6. Benign Spine Lesions: Advances in Techniques for Minimally Invasive Percutaneous Treatment.

    PubMed

    Tomasian, A; Wallace, A N; Jennings, J W

    2017-02-09

    Minimally invasive percutaneous imaging-guided techniques have been shown to be safe and effective for the treatment of benign tumors of the spine. Techniques available include a variety of tumor ablation technologies, including radiofrequency ablation, cryoablation, microwave ablation, alcohol ablation, and laser photocoagulation. Vertebral augmentation may be performed after ablation as part of the same procedure for fracture stabilization or prevention. Typically, the treatment goal in benign spine lesions is definitive cure. Painful benign spine lesions commonly encountered in daily practice include osteoid osteoma, osteoblastoma, vertebral hemangioma, aneurysmal bone cyst, Paget disease, and subacute/chronic Schmorl node. This review discusses the most recent advancement and use of minimally invasive percutaneous therapeutic options for the management of benign spine lesions.

  7. Recent Advances and New Techniques in Visualization of Ultra-short Relativistic Electron Bunches

    SciTech Connect

    Xiang, Dao; /SLAC

    2012-06-05

    Ultrashort electron bunches with rms length of {approx} 1 femtosecond (fs) can be used to generate ultrashort x-ray pulses in FELs that may open up many new regimes in ultrafast sciences. It is also envisioned that ultrashort electron bunches may excite {approx}TeV/m wake fields for plasma wake field acceleration and high field physics studies. Recent success of using 20 pC electron beam to drive an x-ray FEL at LCLS has stimulated world-wide interests in using low charge beam (1 {approx} 20 pC) to generate ultrashort x-ray pulses (0.1 fs {approx} 10 fs) in FELs. Accurate measurement of the length (preferably the temporal profile) of the ultrashort electron bunch is essential for understanding the physics associated with the bunch compression and transportation. However, the shorter and shorter electron bunch greatly challenges the present beam diagnostic methods. In this paper we review the recent advances in the measurement of ultra-short electron bunches. We will focus on several techniques and their variants that provide the state-of-the-art temporal resolution. Methods to further improve the resolution of these techniques and the promise to break the 1 fs time barrier is discussed. We review recent advances in the measurement of ultrashort relativistic electron bunches. We will focus on several techniques and their variants that are capable of breaking the femtosecond time barrier in measurements of ultrashort bunches. Techniques for measuring beam longitudinal phase space as well as the x-ray pulse shape in an x-ray FEL are also discussed.

  8. Individual Particle Analysis of Ambient PM 2.5 Using Advanced Electron Microscopy Techniques

    SciTech Connect

    Gerald J. Keeler; Masako Morishita

    2006-12-31

    The overall goal of this project was to demonstrate a combination of advanced electron microscopy techniques that can be effectively used to identify and characterize individual particles and their sources. Specific techniques to be used include high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), STEM energy dispersive X-ray spectrometry (EDX), and energy-filtered TEM (EFTEM). A series of ambient PM{sub 2.5} samples were collected in communities in southwestern Detroit, MI (close to multiple combustion sources) and Steubenville, OH (close to several coal fired utility boilers). High-resolution TEM (HRTEM) -imaging showed a series of nano-metal particles including transition metals and elemental composition of individual particles in detail. Submicron and nano-particles with Al, Fe, Ti, Ca, U, V, Cr, Si, Ba, Mn, Ni, K and S were observed and characterized from the samples. Among the identified nano-particles, combinations of Al, Fe, Si, Ca and Ti nano-particles embedded in carbonaceous particles were observed most frequently. These particles showed very similar characteristics of ultrafine coal fly ash particles that were previously reported. By utilizing HAADF-STEM, STEM-EDX, and EF-TEM, this investigation was able to gain information on the size, morphology, structure, and elemental composition of individual nano-particles collected in Detroit and Steubenville. The results showed that the contributions of local combustion sources - including coal fired utilities - to ultrafine particle levels were significant. Although this combination of advanced electron microscopy techniques by itself can not identify source categories, these techniques can be utilized as complementary analytical tools that are capable of providing detailed information on individual particles.

  9. Portable, Low-cost NMR with Laser-Lathe Lithography Produced

    SciTech Connect

    Herberg, J L; Demas, V; Malba, V; Bernhardt, A; Evans, L; Harvey, C; Chinn, S; Maxwell, R; Reimer, J; Pines, A

    2006-12-21

    Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5 mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or 'ex-situ' shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on a laser-fabricated microcoil and homebuilt probe design. For testing this probe, we used a hand-held 2 kg Halbach magnet that can fit into the palm of a hand, and an RF probe with laser-fabricated microcoils. The focus of the paper is on the evaluation of the microcoils, RF probe, and first generation gradient coils. The setup of this system, initial results, sensitivity measurements, and future plans are discussed. The results, even though preliminary, are promising and provide the foundation for developing a portable, inexpensive NMR system for chemical analysis. Such a system will be ideal for chemical identification of trace substances on site.

  10. Where in the Cell Are You? Probing HIV-1 Host Interactions through Advanced Imaging Techniques

    PubMed Central

    Dirk, Brennan S.; Van Nynatten, Logan R.; Dikeakos, Jimmy D.

    2016-01-01

    Viruses must continuously evolve to hijack the host cell machinery in order to successfully replicate and orchestrate key interactions that support their persistence. The type-1 human immunodeficiency virus (HIV-1) is a prime example of viral persistence within the host, having plagued the human population for decades. In recent years, advances in cellular imaging and molecular biology have aided the elucidation of key steps mediating the HIV-1 lifecycle and viral pathogenesis. Super-resolution imaging techniques such as stimulated emission depletion (STED) and photoactivation and localization microscopy (PALM) have been instrumental in studying viral assembly and release through both cell–cell transmission and cell–free viral transmission. Moreover, powerful methods such as Forster resonance energy transfer (FRET) and bimolecular fluorescence complementation (BiFC) have shed light on the protein-protein interactions HIV-1 engages within the host to hijack the cellular machinery. Specific advancements in live cell imaging in combination with the use of multicolor viral particles have become indispensable to unravelling the dynamic nature of these virus-host interactions. In the current review, we outline novel imaging methods that have been used to study the HIV-1 lifecycle and highlight advancements in the cell culture models developed to enhance our understanding of the HIV-1 lifecycle. PMID:27775563

  11. Where in the Cell Are You? Probing HIV-1 Host Interactions through Advanced Imaging Techniques.

    PubMed

    Dirk, Brennan S; Van Nynatten, Logan R; Dikeakos, Jimmy D

    2016-10-19

    Viruses must continuously evolve to hijack the host cell machinery in order to successfully replicate and orchestrate key interactions that support their persistence. The type-1 human immunodeficiency virus (HIV-1) is a prime example of viral persistence within the host, having plagued the human population for decades. In recent years, advances in cellular imaging and molecular biology have aided the elucidation of key steps mediating the HIV-1 lifecycle and viral pathogenesis. Super-resolution imaging techniques such as stimulated emission depletion (STED) and photoactivation and localization microscopy (PALM) have been instrumental in studying viral assembly and release through both cell-cell transmission and cell-free viral transmission. Moreover, powerful methods such as Forster resonance energy transfer (FRET) and bimolecular fluorescence complementation (BiFC) have shed light on the protein-protein interactions HIV-1 engages within the host to hijack the cellular machinery. Specific advancements in live cell imaging in combination with the use of multicolor viral particles have become indispensable to unravelling the dynamic nature of these virus-host interactions. In the current review, we outline novel imaging methods that have been used to study the HIV-1 lifecycle and highlight advancements in the cell culture models developed to enhance our understanding of the HIV-1 lifecycle.

  12. Applications of Advanced, Waveform Based AE Techniques for Testing Composite Materials

    NASA Technical Reports Server (NTRS)

    Prosser, William H.

    1996-01-01

    Advanced, waveform based acoustic emission (AE) techniques have been previously used to evaluate damage progression in laboratory tests of composite coupons. In these tests, broad band, high fidelity acoustic sensors were used to detect signals which were then digitized and stored for analysis. Analysis techniques were based on plate mode wave propagation characteristics. This approach, more recently referred to as Modal AE, provides an enhanced capability to discriminate and eliminate noise signals from those generated by damage mechanisms. This technique also allows much more precise source location than conventional, threshold crossing arrival time determination techniques. To apply Modal AE concepts to the interpretation of AE on larger composite structures, the effects of wave propagation over larger distances and through structural complexities must be well characterized and understood. In this research, measurements were made of the attenuation of the extensional and flexural plate mode components of broad band simulated AE signals in large composite panels. As these materials have applications in a cryogenic environment, the effects of cryogenic insulation on the attenuation of plate mode AE signals were also documented.

  13. Biotechnology apprenticeship for secondary-level students: teaching advanced cell culture techniques for research.

    PubMed

    Lewis, Jennifer R; Kotur, Mark S; Butt, Omar; Kulcarni, Sumant; Riley, Alyssa A; Ferrell, Nick; Sullivan, Kathryn D; Ferrari, Mauro

    2002-01-01

    The purpose of this article is to discuss small-group apprenticeships (SGAs) as a method to instruct cell culture techniques to high school participants. The study aimed to teach cell culture practices and to introduce advanced imaging techniques to solve various biomedical engineering problems. Participants designed and completed experiments using both flow cytometry and laser scanning cytometry during the 1-month summer apprenticeship. In addition to effectively and efficiently teaching cell biology laboratory techniques, this course design provided an opportunity for research training, career exploration, and mentoring. Students participated in active research projects, working with a skilled interdisciplinary team of researchers in a large research institution with access to state-of-the-art instrumentation. The instructors, composed of graduate students, laboratory managers, and principal investigators, worked well together to present a real and worthwhile research experience. The students enjoyed learning cell culture techniques while contributing to active research projects. The institution's researchers were equally enthusiastic to instruct and serve as mentors. In this article, we clarify and illuminate the value of small-group laboratory apprenticeships to the institution and the students by presenting the results and experiences of seven middle and high school participants and their instructors.

  14. Advanced techniques for array processing. Final report, 1 Mar 89-30 Apr 91

    SciTech Connect

    Friedlander, B.

    1991-05-30

    Array processing technology is expected to be a key element in communication systems designed for the crowded and hostile environment of the future battlefield. While advanced array processing techniques have been under development for some time, their practical use has been very limited. This project addressed some of the issues which need to be resolved for a successful transition of these promising techniques from theory into practice. The main problem which was studied was that of finding the directions of multiple co-channel transmitters from measurements collected by an antenna array. Two key issues related to high-resolution direction finding were addressed: effects of system calibration errors, and effects of correlation between the received signals due to multipath propagation. A number of useful theoretical performance analysis results were derived, and computationally efficient direction estimation algorithms were developed. These results include: self-calibration techniques for antenna arrays, sensitivity analysis for high-resolution direction finding, extensions of the root-MUSIC algorithm to arbitrary arrays and to arrays with polarization diversity, and new techniques for direction finding in the presence of multipath based on array interpolation. (Author)

  15. Advanced condition monitoring techniques and plant life extension studies at EBR-2

    SciTech Connect

    Singer, R.M.; Gross, K.C. ); Perry, W.H.; King, R.W. )

    1991-01-01

    Numerous advanced techniques have been evaluated and tested at EBR-2 as part of a plant-life extension program for detection of degradation and other abnormalities in plant systems. Two techniques have been determined to be of considerable assistance in planning for the extended-life operation of EBR-2. The first, a computer-based pattern-recognition system (System State Analyzer or SSA) is used for surveillance of the primary system instrumentation, primary sodium pumps and plant heat balances. This surveillance has indicated that the SSA can detect instrumentation degradation and system performance degradation over varying time intervals and can be used to provide derived signal values to replace signals from failed sensors. The second technique, also a computer-based pattern-recognition system (Sequential Probability Ratio Test or SPRT) is used to validate signals and to detect incipient failures in sensors and components or systems. It is being used on the failed fuel detection system and is experimentally used on the primary coolant pumps. Both techniques are described and experience with their operation presented.

  16. Advancement of an Infra-Red Technique for Whole-Field Concentration Measurements in Fluidized Beds

    PubMed Central

    Medrano, Jose A.; de Nooijer, Niek C. A.; Gallucci, Fausto; van Sint Annaland, Martin

    2016-01-01

    For a better understanding and description of the mass transport phenomena in dense multiphase gas-solids systems such as fluidized bed reactors, detailed and quantitative experimental data on the concentration profiles is required, which demands advanced non-invasive concentration monitoring techniques with a high spatial and temporal resolution. A novel technique based on the selective detection of a gas component in a gas mixture using infra-red properties has been further developed. The first stage development was carried out using a very small sapphire reactor and CO2 as tracer gas. Although the measuring principle was demonstrated, the real application was hindered by the small reactor dimensions related to the high costs and difficult handling of large sapphire plates. In this study, a new system has been developed, that allows working at much larger scales and yet with higher resolution. In the new system, propane is used as tracer gas and quartz as reactor material. In this study, a thorough optimization and calibration of the technique is presented which is subsequently applied for whole-field measurements with high temporal resolution. The developed technique allows the use of a relatively inexpensive configuration for the measurement of detailed concentration fields and can be applied to a large variety of important chemical engineering topics. PMID:26927127

  17. Biotechnology Apprenticeship for Secondary-Level Students: Teaching Advanced Cell Culture Techniques for Research

    PubMed Central

    Lewis, Jennifer R.; Kotur, Mark S.; Butt, Omar; Kulcarni, Sumant; Riley, Alyssa A.; Ferrell, Nick; Sullivan, Kathryn D.; Ferrari, Mauro

    2002-01-01

    The purpose of this article is to discuss small-group apprenticeships (SGAs) as a method to instruct cell culture techniques to high school participants. The study aimed to teach cell culture practices and to introduce advanced imaging techniques to solve various biomedical engineering problems. Participants designed and completed experiments using both flow cytometry and laser scanning cytometry during the 1-month summer apprenticeship. In addition to effectively and efficiently teaching cell biology laboratory techniques, this course design provided an opportunity for research training, career exploration, and mentoring. Students participated in active research projects, working with a skilled interdisciplinary team of researchers in a large research institution with access to state-of-the-art instrumentation. The instructors, composed of graduate students, laboratory managers, and principal investigators, worked well together to present a real and worthwhile research experience. The students enjoyed learning cell culture techniques while contributing to active research projects. The institution's researchers were equally enthusiastic to instruct and serve as mentors. In this article, we clarify and illuminate the value of small-group laboratory apprenticeships to the institution and the students by presenting the results and experiences of seven middle and high school participants and their instructors. PMID:12587031

  18. Advanced grazing-incidence techniques for modern soft-matter materials analysis

    SciTech Connect

    Hexemer, Alexander; Müller-Buschbaum, Peter

    2015-01-01

    The complex nano-morphology of modern soft-matter materials is successfully probed with advanced grazing-incidence techniques. Based on grazing-incidence small- and wide-angle X-ray and neutron scattering (GISAXS, GIWAXS, GISANS and GIWANS), new possibilities arise which are discussed with selected examples. Due to instrumental progress, highly interesting possibilities for local structure analysis in this material class arise from the use of micro- and nanometer-sized X-ray beams in micro- or nanofocused GISAXS and GIWAXS experiments. The feasibility of very short data acquisition times down to milliseconds creates exciting possibilities forin situandin operandoGISAXS and GIWAXS studies. Tuning the energy of GISAXS and GIWAXS in the soft X-ray regime and in time-of flight GISANS allows the tailoring of contrast conditions and thereby the probing of more complex morphologies. In addition, recent progress in software packages, useful for data analysis for advanced grazing-incidence techniques, is discussed.

  19. Advanced grazing-incidence techniques for modern soft-matter materials analysis

    PubMed Central

    Hexemer, Alexander; Müller-Buschbaum, Peter

    2015-01-01

    The complex nano-morphology of modern soft-matter materials is successfully probed with advanced grazing-incidence techniques. Based on grazing-incidence small- and wide-angle X-ray and neutron scattering (GISAXS, GIWAXS, GISANS and GIWANS), new possibilities arise which are discussed with selected examples. Due to instrumental progress, highly interesting possibilities for local structure analysis in this material class arise from the use of micro- and nanometer-sized X-ray beams in micro- or nanofocused GISAXS and GIWAXS experiments. The feasibility of very short data acquisition times down to milliseconds creates exciting possibilities for in situ and in operando GISAXS and GIWAXS studies. Tuning the energy of GISAXS and GIWAXS in the soft X-ray regime and in time-of flight GISANS allows the tailoring of contrast conditions and thereby the probing of more complex morphologies. In addition, recent progress in software packages, useful for data analysis for advanced grazing-incidence techniques, is discussed. PMID:25610632

  20. Use of Advanced Magnetic Resonance Imaging Techniques in Neuromyelitis Optica Spectrum Disorder.

    PubMed

    Kremer, Stephane; Renard, Felix; Achard, Sophie; Lana-Peixoto, Marco A; Palace, Jacqueline; Asgari, Nasrin; Klawiter, Eric C; Tenembaum, Silvia N; Banwell, Brenda; Greenberg, Benjamin M; Bennett, Jeffrey L; Levy, Michael; Villoslada, Pablo; Saiz, Albert; Fujihara, Kazuo; Chan, Koon Ho; Schippling, Sven; Paul, Friedemann; Kim, Ho Jin; de Seze, Jerome; Wuerfel, Jens T; Cabre, Philippe; Marignier, Romain; Tedder, Thomas; van Pelt, Danielle; Broadley, Simon; Chitnis, Tanuja; Wingerchuk, Dean; Pandit, Lekha; Leite, Maria Isabel; Apiwattanakul, Metha; Kleiter, Ingo; Prayoonwiwat, Naraporn; Han, May; Hellwig, Kerstin; van Herle, Katja; John, Gareth; Hooper, D Craig; Nakashima, Ichiro; Sato, Douglas; Yeaman, Michael R; Waubant, Emmanuelle; Zamvil, Scott; Stüve, Olaf; Aktas, Orhan; Smith, Terry J; Jacob, Anu; O'Connor, Kevin

    2015-07-01

    Brain parenchymal lesions are frequently observed on conventional magnetic resonance imaging (MRI) scans of patients with neuromyelitis optica (NMO) spectrum disorder, but the specific morphological and temporal patterns distinguishing them unequivocally from lesions caused by other disorders have not been identified. This literature review summarizes the literature on advanced quantitative imaging measures reported for patients with NMO spectrum disorder, including proton MR spectroscopy, diffusion tensor imaging, magnetization transfer imaging, quantitative MR volumetry, and ultrahigh-field strength MRI. It was undertaken to consider the advanced MRI techniques used for patients with NMO by different specialists in the field. Although quantitative measures such as proton MR spectroscopy or magnetization transfer imaging have not reproducibly revealed diffuse brain injury, preliminary data from diffusion-weighted imaging and brain tissue volumetry indicate greater white matter than gray matter degradation. These findings could be confirmed by ultrahigh-field MRI. The use of nonconventional MRI techniques may further our understanding of the pathogenic processes in NMO spectrum disorders and may help us identify the distinct radiographic features corresponding to specific phenotypic manifestations of this disease.

  1. Advanced grazing-incidence techniques for modern soft-matter materials analysis.

    PubMed

    Hexemer, Alexander; Müller-Buschbaum, Peter

    2015-01-01

    The complex nano-morphology of modern soft-matter materials is successfully probed with advanced grazing-incidence techniques. Based on grazing-incidence small- and wide-angle X-ray and neutron scattering (GISAXS, GIWAXS, GISANS and GIWANS), new possibilities arise which are discussed with selected examples. Due to instrumental progress, highly interesting possibilities for local structure analysis in this material class arise from the use of micro- and nanometer-sized X-ray beams in micro- or nanofocused GISAXS and GIWAXS experiments. The feasibility of very short data acquisition times down to milliseconds creates exciting possibilities for in situ and in operando GISAXS and GIWAXS studies. Tuning the energy of GISAXS and GIWAXS in the soft X-ray regime and in time-of flight GISANS allows the tailoring of contrast conditions and thereby the probing of more complex morphologies. In addition, recent progress in software packages, useful for data analysis for advanced grazing-incidence techniques, is discussed.

  2. Advanced MRI Techniques in the Evaluation of Complex Cystic Breast Lesions

    PubMed Central

    Popli, Manju Bala; Gupta, Pranav; Arse, Devraj; Kumar, Pawan; Kaur, Prabhjot

    2016-01-01

    OBJECTIVE The purpose of this research work was to evaluate complex cystic breast lesions by advanced MRI techniques and correlating imaging with histologic findings. METHODS AND MATERIALS In a cross-sectional design from September 2013 to August 2015, 50 patients having sonographically detected complex cystic lesions of the breast were included in the study. Morphological characteristics were assessed. Dynamic contrast-enhanced MRI along with diffusion-weighted imaging and MR spectroscopy were used to further classify lesions into benign and malignant categories. All the findings were correlated with histopathology. RESULTS Of the 50 complex cystic lesions, 32 proved to be benign and 18 were malignant on histopathology. MRI features of heterogeneous enhancement on CE-MRI (13/18), Type III kinetic curve (13/18), reduced apparent diffusion coefficient (18/18), and tall choline peak (17/18) were strong predictors of malignancy. Thirteen of the 18 lesions showed a combination of Type III curve, reduced apparent diffusion coefficient value, and tall choline peak. CONCLUSIONS Advanced MRI techniques like dynamic imaging, diffusion-weighted sequences, and MR spectroscopy provide a high level of diagnostic confidence in the characterization of complex cystic breast lesion, thus allowing early diagnosis and significantly reducing patient morbidity and mortality. From our study, lesions showing heterogeneous contrast enhancement, Type III kinetic curve, diffusion restriction, and tall choline peak were significantly associated with malignant complex cystic lesions of the breast. PMID:27330299

  3. Advanced grazing-incidence techniques for modern soft-matter materials analysis

    DOE PAGES

    Hexemer, Alexander; Müller-Buschbaum, Peter

    2015-01-01

    The complex nano-morphology of modern soft-matter materials is successfully probed with advanced grazing-incidence techniques. Based on grazing-incidence small- and wide-angle X-ray and neutron scattering (GISAXS, GIWAXS, GISANS and GIWANS), new possibilities arise which are discussed with selected examples. Due to instrumental progress, highly interesting possibilities for local structure analysis in this material class arise from the use of micro- and nanometer-sized X-ray beams in micro- or nanofocused GISAXS and GIWAXS experiments. The feasibility of very short data acquisition times down to milliseconds creates exciting possibilities forin situandin operandoGISAXS and GIWAXS studies. Tuning the energy of GISAXS and GIWAXS in themore » soft X-ray regime and in time-of flight GISANS allows the tailoring of contrast conditions and thereby the probing of more complex morphologies. In addition, recent progress in software packages, useful for data analysis for advanced grazing-incidence techniques, is discussed.« less

  4. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for ASCENDS O2 Column Measurements

    NASA Technical Reports Server (NTRS)

    Campbell, Joel F.; Lin, Bing; Nehrir, Amin R.; Harrison, F. Wallace; Obland, Michael D.; Meadows, Byron

    2015-01-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity- Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation, where it is shown useful for making tree canopy measurements.

  5. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for Column CO2 Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Nehrir, A. R.; Obland, M. D.; Liu, Z.; Browell, E. V.; Chen, S.; Kooi, S. A.; Fan, T. F.

    2015-12-01

    Global and regional atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission and Atmospheric Carbon and Transport (ACT) - America airborne investigation are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are being investigated as a means of facilitating CO2 measurements from space and airborne platforms to meet the mission science measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud returns. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of intervening optically thin clouds, thereby minimizing bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the Earth's surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques and provides very high (at sub-meter level) range resolution. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These techniques are used in a new data processing architecture to support the ASCENDS CarbonHawk Experiment Simulator (ACES) and ACT-America programs.

  6. Advanced intensity-modulation continuous-wave lidar techniques for ASCENDS CO2 column measurements

    NASA Astrophysics Data System (ADS)

    Campbell, Joel F.; Lin, Bing; Nehrir, Amin R.; Harrison, F. W.; Obland, Michael D.; Meadows, Byron

    2015-10-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity- Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation, where it is shown useful for making tree canopy measurements.

  7. System Design Techniques for Reducing the Power Requirements of Advanced life Support Systems

    NASA Technical Reports Server (NTRS)

    Finn, Cory; Levri, Julie; Pawlowski, Chris; Crawford, Sekou; Luna, Bernadette (Technical Monitor)

    2000-01-01

    The high power requirement associated with overall operation of regenerative life support systems is a critical Z:p technological challenge. Optimization of individual processors alone will not be sufficient to produce an optimized system. System studies must be used in order to improve the overall efficiency of life support systems. Current research efforts at NASA Ames Research Center are aimed at developing approaches for reducing system power and energy usage in advanced life support systems. System energy integration and energy reuse techniques are being applied to advanced life support, in addition to advanced control methods for efficient distribution of power and thermal resources. An overview of current results of this work will be presented. The development of integrated system designs that reuse waste heat from sources such as crop lighting and solid waste processing systems will reduce overall power and cooling requirements. Using an energy integration technique known as Pinch analysis, system heat exchange designs are being developed that match hot and cold streams according to specific design principles. For various designs, the potential savings for power, heating and cooling are being identified and quantified. The use of state-of-the-art control methods for distribution of resources, such as system cooling water or electrical power, will also reduce overall power and cooling requirements. Control algorithms are being developed which dynamically adjust the use of system resources by the various subsystems and components in order to achieve an overall goal, such as smoothing of power usage and/or heat rejection profiles, while maintaining adequate reserves of food, water, oxygen, and other consumables, and preventing excessive build-up of waste materials. Reductions in the peak loading of the power and thermal systems will lead to lower overall requirements. Computer simulation models are being used to test various control system designs.

  8. Use of advanced neuroimaging techniques in the evaluation of pediatric traumatic brain injury.

    PubMed

    Ashwal, Stephen; Holshouser, Barbara A; Tong, Karen A

    2006-01-01

    Advanced neuroimaging techniques are now used to expand our knowledge of traumatic brain injury, and increasingly, they are being applied to children. This review will examine four of these methods as they apply to children who present acutely after injury. (1) Susceptibility weighted imaging is a 3-dimensional high-resolution magnetic resonance imaging technique that is more sensitive than conventional imaging in detecting hemorrhagic lesions that are often associated with diffuse axonal injury. (2) Magnetic resonance spectroscopy acquires metabolite information reflecting neuronal integrity and function from multiple brain regions and provides sensitive, noninvasive assessment of neurochemical alterations that offers early prognostic information regarding the outcome. (3) Diffusion weighted imaging is based on differences in diffusion of water molecules within the brain and has been shown to be very sensitive in the early detection of ischemic injury. It is now being used to study the direct effects of traumatic injury as well as those due to secondary ischemia. (4) Diffusion tensor imaging is a form of diffusion weighted imaging and allows better evaluation of white matter fiber tracts by taking advantage of the intrinsic directionality (anisotropy) of water diffusion in human brain. It has been shown to be useful in identifying white matter abnormalities after diffuse axonal injury when conventional imaging appears normal. An important aspect of these advanced methods is that they demonstrate that 'normal-appearing' brain in many instances is not normal, i.e. there is evidence of significant undetected injury that may underlie a child's clinical status. Availability and integration of these advanced imaging methods will lead to better treatment and change the standard of care for use of neuroimaging to evaluate children with traumatic brain injury.

  9. Synthesis, characterization and dynamic NMR studies of a novel chalcone based N-substituted morpholine derivative

    NASA Astrophysics Data System (ADS)

    Baskar, R.; Baby, C.; Moni, M. S.; Subramanian, K.

    2013-05-01

    The synthesis of a novel chalcone based N-substituted morpholine derivative namely, (E)-1-(biphenyl-4-yl)-3-(4-(5-morpholinopentyloxy) phenyl) prop-2-en-1-one (BMPP), using a two step protocol is reported. The compound is characterized by FTIR, GC-MS and FTNMR spectroscopy techniques. Advanced 2D NMR techniques such as gradient enhanced COSY, HSQC, HMBC and NOESY were employed to establish through-bond and through-space correlations. Dynamic NMR measurements were carried out to obtain the energy barrier to ring inversion of the morpholine moiety.

  10. PREFACE: 16th International workshop on Advanced Computing and Analysis Techniques in physics research (ACAT2014)

    NASA Astrophysics Data System (ADS)

    Fiala, L.; Lokajicek, M.; Tumova, N.

    2015-05-01

    This volume of the IOP Conference Series is dedicated to scientific contributions presented at the 16th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2014), this year the motto was ''bridging disciplines''. The conference took place on September 1-5, 2014, at the Faculty of Civil Engineering, Czech Technical University in Prague, Czech Republic. The 16th edition of ACAT explored the boundaries of computing system architectures, data analysis algorithmics, automatic calculations, and theoretical calculation technologies. It provided a forum for confronting and exchanging ideas among these fields, where new approaches in computing technologies for scientific research were explored and promoted. This year's edition of the workshop brought together over 140 participants from all over the world. The workshop's 16 invited speakers presented key topics on advanced computing and analysis techniques in physics. During the workshop, 60 talks and 40 posters were presented in three tracks: Computing Technology for Physics Research, Data Analysis - Algorithms and Tools, and Computations in Theoretical Physics: Techniques and Methods. The round table enabled discussions on expanding software, knowledge sharing and scientific collaboration in the respective areas. ACAT 2014 was generously sponsored by Western Digital, Brookhaven National Laboratory, Hewlett Packard, DataDirect Networks, M Computers, Bright Computing, Huawei and PDV-Systemhaus. Special appreciations go to the track liaisons Lorenzo Moneta, Axel Naumann and Grigory Rubtsov for their work on the scientific program and the publication preparation. ACAT's IACC would also like to express its gratitude to all referees for their work on making sure the contributions are published in the proceedings. Our thanks extend to the conference liaisons Andrei Kataev and Jerome Lauret who worked with the local contacts and made this conference possible as well as to the program

  11. SPINS: a laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations.

    PubMed

    Baran, Michael C; Moseley, Hunter N B; Aramini, James M; Bayro, Marvin J; Monleon, Daniel; Locke, Jessica Y; Montelione, Gaetano T

    2006-03-01

    Recent technological advances and experimental techniques have contributed to an increasing number and size of NMR datasets. In order to scale up productivity, laboratory information management systems for handling these extensive data need to be designed and implemented. The SPINS (Standardized ProteIn Nmr Storage) Laboratory Information Management System (LIMS) addresses these needs by providing an interface for archival of complete protein NMR structure determinations, together with functionality for depositing these data to the public BioMagResBank (BMRB). The software tracks intermediate files during each step of an NMR structure-determination process, including: data collection, data processing, resonance assignments, resonance assignment validation, structure calculation, and structure validation. The underlying SPINS data dictionary allows for the integration of various third party NMR data processing and analysis software, enabling users to launch programs they are accustomed to using for each step of the structure determination process directly out of the SPINS user interface.

  12. Measurements of the subcriticality using advanced technique of shooting source during operation of NPP reactors

    NASA Astrophysics Data System (ADS)

    Lebedev, G. V.; Petrov, V. V.; Bobylyov, V. T.; Butov, R. I.; Zhukov, A. M.; Sladkov, A. A.

    2014-12-01

    According to the rules of nuclear safety, the measurements of the subcriticality of reactors should be carried out in the process of performing nuclear hazardous operations. An advanced technique of shooting source of neutrons is proposed to meet this requirement. As such a source, a pulsed neutron source (PNS) is used. In order to realize this technique, it is recommended to enable a PNS with a frequency of 1-20 Hz. The PNS is stopped after achieving a steady-state (on average) number of neutrons in the reactor volume. The change in the number of neutrons in the reactor volume is measured in time with an interval of discreteness of ˜0.1 s. The results of these measurements with the application of a system of point-kinetics equations are used in order to calculate the sought subcriticality. The basic idea of the proposed technique used to measure the subcriticality is elaborated in a series of experiments on the Kvant assembly. The conditions which should be implemented in order to obtain a positive result of measurements are formulated. A block diagram of the basic version of the experimental setup is presented, whose main element is a pulsed neutron generator.

  13. New advanced surface modification technique: titanium oxide ceramic surface implants: long-term clinical results

    NASA Astrophysics Data System (ADS)

    Szabo, Gyorgy; Kovacs, Lajos; Barabas, Jozsef; Nemeth, Zsolt; Maironna, Carlo

    2001-11-01

    The purpose of this paper is to discuss the background to advanced surface modification technologies and to present a new technique, involving the formation of a titanium oxide ceramic coating, with relatively long-term results of its clinical utilization. Three general techniques are used to modify surfaces: the addition or removal of material and the change of material already present. Surface properties can also be changed without the addition or removal of material, through the laser or electron beam thermal treatment. The new technique outlined in this paper relates to the production of a corrosion-resistant 2000-2500 A thick, ceramic oxide layer with a coherent crystalline structure on the surface of titanium implants. The layer is grown electrochemically from the bulk of the metal and is modified by heat treatment. Such oxide ceramic-coated implants have a number of advantageous properties relative to implants covered with various other coatings: a higher external hardness, a greater force of adherence between the titanium and the oxide ceramic coating, a virtually perfect insulation between the organism and the metal (no possibility of metal allergy), etc. The coated implants were subjected to various physical, chemical, electronmicroscopic, etc. tests for a qualitative characterization. Finally, these implants (plates, screws for maxillofacial osteosynthesis and dental root implants) were applied in surgical practice for a period of 10 years. Tests and the experience acquired demonstrated the good properties of the titanium oxide ceramic-coated implants.

  14. Utilization of advanced calibration techniques in stochastic rock fall analysis of quarry slopes

    NASA Astrophysics Data System (ADS)

    Preh, Alexander; Ahmadabadi, Morteza; Kolenprat, Bernd

    2016-04-01

    In order to study rock fall dynamics, a research project was conducted by the Vienna University of Technology and the Austrian Central Labour Inspectorate (Federal Ministry of Labour, Social Affairs and Consumer Protection). A part of this project included 277 full-scale drop tests at three different quarries in Austria and recording key parameters of the rock fall trajectories. The tests involved a total of 277 boulders ranging from 0.18 to 1.8 m in diameter and from 0.009 to 8.1 Mg in mass. The geology of these sites included strong rock belonging to igneous, metamorphic and volcanic types. In this paper the results of the tests are used for calibration and validation a new stochastic computer model. It is demonstrated that the error of the model (i.e. the difference between observed and simulated results) has a lognormal distribution. Selecting two parameters, advanced calibration techniques including Markov Chain Monte Carlo Technique, Maximum Likelihood and Root Mean Square Error (RMSE) are utilized to minimize the error. Validation of the model based on the cross validation technique reveals that in general, reasonable stochastic approximations of the rock fall trajectories are obtained in all dimensions, including runout, bounce heights and velocities. The approximations are compared to the measured data in terms of median, 95% and maximum values. The results of the comparisons indicate that approximate first-order predictions, using a single set of input parameters, are possible and can be used to aid practical hazard and risk assessment.

  15. Measurements of the subcriticality using advanced technique of shooting source during operation of NPP reactors

    SciTech Connect

    Lebedev, G. V. Petrov, V. V.; Bobylyov, V. T.; Butov, R. I.; Zhukov, A. M.; Sladkov, A. A.

    2014-12-15

    According to the rules of nuclear safety, the measurements of the subcriticality of reactors should be carried out in the process of performing nuclear hazardous operations. An advanced technique of shooting source of neutrons is proposed to meet this requirement. As such a source, a pulsed neutron source (PNS) is used. In order to realize this technique, it is recommended to enable a PNS with a frequency of 1–20 Hz. The PNS is stopped after achieving a steady-state (on average) number of neutrons in the reactor volume. The change in the number of neutrons in the reactor volume is measured in time with an interval of discreteness of ∼0.1 s. The results of these measurements with the application of a system of point-kinetics equations are used in order to calculate the sought subcriticality. The basic idea of the proposed technique used to measure the subcriticality is elaborated in a series of experiments on the Kvant assembly. The conditions which should be implemented in order to obtain a positive result of measurements are formulated. A block diagram of the basic version of the experimental setup is presented, whose main element is a pulsed neutron generator.

  16. Visualizing epigenetics: current advances and advantages in HDAC PET imaging techniques.

    PubMed

    Wang, C; Schroeder, F A; Hooker, J M

    2014-04-04

    Abnormal gene regulation as a consequence of flawed epigenetic mechanisms may be central to the initiation and persistence of many human diseases. However, the association of epigenetic dysfunction with disease and the development of therapeutic agents for treatment are slow. Developing new methodologies used to visualize chromatin-modifying enzymes and their function in the human brain would be valuable for the diagnosis of brain disorders and drug discovery. We provide an overview of current invasive and noninvasive techniques for measuring expression and functions of chromatin-modifying enzymes in the brain, emphasizing tools applicable to histone deacetylase (HDAC) enzymes as a leading example. The majority of current techniques are invasive and difficult to translate to what is happening within a human brain in vivo. However, recent progress in molecular imaging provides new, noninvasive ways to visualize epigenetics in the human brain. Neuroimaging tool development presents a unique set of challenges in order to identify and validate CNS radiotracers for HDACs and other histone-modifying enzymes. We summarize advances in the effort to image HDACs and HDAC inhibitory effects in the brain using positron emission tomography (PET) and highlight generalizable techniques that can be adapted to investigate other specific components of epigenetic machinery. Translational tools like neuroimaging by PET and magnetic resonance imaging provide the best way to link our current understanding of epigenetic changes with in vivo function in normal and diseased brains. These tools will be a critical addition to ex vivo methods to evaluate - and intervene - in CNS dysfunction.

  17. Visualizing epigenetics: current advances and advantages in HDAC PET imaging techniques

    PubMed Central

    Wang, Changning; Schroeder, Frederick A.; Hooker, Jacob M.

    2013-01-01

    Abnormal gene regulation as a consequence of flawed epigenetic mechanisms may be central to the initiation and persistence of many human diseases. However, the association of epigenetic dysfunction with disease and the development of therapeutic agents for treatment are slow. Developing new methodologies used to visualize chromatin modifying enzymes and their function in the human brain would be valuable for diagnosis of brain disorders and drug discovery. We provide an overview of current invasive and noninvasive techniques for measuring expression and functions of chromatin modifying enzymes in the brain, emphasizing tools applicable to histone deacetylase (HDAC) enzymes as a leading example. The majority of current techniques are invasive and difficult to translate to what is happening within a human brain in vivo. However, recent progress in molecular imaging provides new, noninvasive ways to visualize epigenetics in human brain. Neuroimaging tool development presents a unique set of challenges in order to identify and validate CNS radiotracers for HDACs and other histone modifying enzymes. We summarize advances in the effort to image HDACs and HDAC inhibitory effects in the brain using PET and highlight generalizable techniques that can be adapted to investigate other specific components of epigenetic machinery. Translational tools like neuroimaging by PET and MRI provide the best way to link our current understanding of epigenetic changes with in vivo function in normal and diseased brain. These tools will be a critical addition to ex vivo methods to evaluate - and intervene - in CNS dysfunction. PMID:24051365

  18. Optical techniques for signal distribution and control in advanced radar and communication systems

    NASA Astrophysics Data System (ADS)

    Forrest, J. R.

    1985-03-01

    It is concluded that optical techniques offer some advantages for signal distribution and control in advanced radar and communication systems. They are clearly ideal for transporting microwave signals over considerable distances, as in remote positioning of radar receivers, provided high dynamic range is not required and an enclosed transmission path is essential. They are an elegant means of distributing low level r.f. or i.f. signals around an active phased array where these signals are of relatively constant amplitude (as in mixer local oscillator applications). However, there is currently a rather restrictive limit on the size of distribution network possible. Optical techniques are obviously suitable for distributing digital control signals to phased array modules and confer considerable immunity to interference. They are less suitable for high dynamic range signals, such as the received radar returns, either at r.f. or when downcovered to i.f. Future developments in coherent optics or in fast optical A/D technology could, however, influence this conclusion. Currently, the optimum applications for optical techniques appear to be i.f. beamformers for multibeam communication satellite systems and in calibration/monitoring systems for phased arrays.

  19. An Integrated Laboratory Project in NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Hudson, Reggie L.; Pendley, Bradford D.

    1988-01-01

    Describes an advanced NMR project that can be done with a 60-MHz continuous-wave proton spectrometer. Points out the main purposes are to give students experience in second-order NMR analysis, the simplification of spectra by raising the frequency, and the effect of non-hydrogen nuclei on proton resonances. (MVL)

  20. Effects of age, system experience, and navigation technique on driving with an advanced traveler information system.

    PubMed

    Dingus, T A; Hulse, M C; Mollenhauer, M A; Fleischman, R N; McGehee, D V; Manakkal, N

    1997-06-01

    This paper explores the effects of age, system experience, and navigation technique on driving, navigation performance, and safety for drivers who used TravTek, an Advanced Traveler Information System. The first two studies investigated various route guidance configurations on the road in a specially equipped instrumented vehicle with an experimenter present. The third was a naturalistic quasi-experimental field study that collected data unobtrusively from more than 1200 TravTek rental car drivers with no in-vehicle experimenter. The results suggest that with increased experience, drivers become familiar with the system and develop strategies for substantially more efficient and safer use. The results also showed that drivers over age 65 had difficulty driving and navigating concurrently. They compensated by driving slowly and more cautiously. Despite this increased caution, older drivers made more safety-related errors than did younger drivers. The results also showed that older drivers benefited substantially from a well-designed ATIS driver interface.

  1. Advances in the transient dc photocurrent technique for excited state dipole moment measurements

    SciTech Connect

    Smirnov, S.N.; Braun, C.L.

    1998-08-01

    Recent advances in the transient dc photocurrent technique for measuring excited state dipole moments, developed in our group, are discussed. A variety of approaches with detailed analyses of their advantages and disadvantages including cell design, circuit construction tricks, the data acquisition procedure, calibration, and the theoretical treatment of different conditions, are presented. Sensitivity, time resolution limitations, and newly developed features, such as the signal{close_quote}s dependence on light polarization as well as charge separation at interfaces are outlined. Dipole moments of a few molecules (diphenylcyclopropenone, bianthryl, dimethylaminonitrostilbene, Coumarin 153, and fluoroprobe) suitable for calibration purpose are reported{emdash}some of them for the first time. {copyright} {ital 1998 American Institute of Physics.}

  2. Vibrio parahaemolyticus: a review on the pathogenesis, prevalence, and advance molecular identification techniques.

    PubMed

    Letchumanan, Vengadesh; Chan, Kok-Gan; Lee, Learn-Han

    2014-01-01

    Vibrio parahaemolyticus is a Gram-negative halophilic bacterium that is found in estuarine, marine and coastal environments. V. parahaemolyticus is the leading causal agent of human acute gastroenteritis following the consumption of raw, undercooked, or mishandled marine products. In rare cases, V. parahaemolyticus causes wound infection, ear infection or septicaemia in individuals with pre-existing medical conditions. V. parahaemolyticus has two hemolysins virulence factors that are thermostable direct hemolysin (tdh)-a pore-forming protein that contributes to the invasiveness of the bacterium in humans, and TDH-related hemolysin (trh), which plays a similar role as tdh in the disease pathogenesis. In addition, the bacterium is also encodes for adhesions and type III secretion systems (T3SS1 and T3SS2) to ensure its survival in the environment. This review aims at discussing the V. parahaemolyticus growth and characteristics, pathogenesis, prevalence and advances in molecular identification techniques.

  3. Visualisation of Ecohydrological Processes and Relationships for Teaching Using Advanced Techniques

    NASA Astrophysics Data System (ADS)

    Guan, H.; Wang, H.; Gutierrez-Jurado, H. A.; Yang, Y.; Deng, Z.

    2014-12-01

    Ecohydrology is an emerging discipline with a rapid research growth. This calls for enhancing ecohydrology education in both undergraduate and postgraduate levels. In other hydrology disciplines, hydrological processes are commonly observed in environments (e.g. streamflow, infiltration) or easily demonstrated in labs (e.g. Darcy's column). It is relatively difficult to demonstrate ecohydrological concepts and processes (e.g. soil-vegetation water relationship) in teaching. In this presentation, we report examples of using some advanced techniques to illustrate ecohydrological concepts, relationships, and processes, with measurements based on a native vegetation catchment in South Australia. They include LIDAR images showing the relationship between topography-control hdyroclimatic conditions and vegetation distribution, electrical resistivity tomography derived images showing stem structures, continuous stem water potential monitoring showing diurnal variations of plant water status, root zone moisture depletion during dry spells, and responses to precipitation inputs, and incorporating sapflow measurements to demonstrate environmental stress on plant stomatal behaviours.

  4. Multielemental speciation analysis by advanced hyphenated technique - HPLC/ICP-MS: A review.

    PubMed

    Marcinkowska, Monika; Barałkiewicz, Danuta

    2016-12-01

    Speciation analysis has become an invaluable tool in human health risk assessment, environmental monitoring or food quality control. Another step is to develop reliable multielemental speciation methodologies, to reduce costs, waste and time needed for the analysis. Separation and detection of species of several elements in a single analytical run can be accomplished by high performance liquid chromatography hyphenated to inductively coupled plasma mass spectrometry (HPLC/ICP-MS). Our review assembles articles concerning multielemental speciation determination of: As, Se, Cr, Sb, I, Br, Pb, Hg, V, Mo, Te, Tl, Cd and W in environmental, biological, food and clinical samples analyzed with HPLC/ICP-MS. It addresses the procedures in terms of following issues: sample collection and pretreatment, selection of optimal conditions for elements species separation by HPLC and determination using ICP-MS as well as metrological approach. The presented work is the first review article concerning multielemental speciation analysis by advanced hyphenated technique HPLC/ICP-MS.

  5. Vibrio parahaemolyticus: a review on the pathogenesis, prevalence, and advance molecular identification techniques

    PubMed Central

    Letchumanan, Vengadesh; Chan, Kok-Gan; Lee, Learn-Han

    2014-01-01

    Vibrio parahaemolyticus is a Gram-negative halophilic bacterium that is found in estuarine, marine and coastal environments. V. parahaemolyticus is the leading causal agent of human acute gastroenteritis following the consumption of raw, undercooked, or mishandled marine products. In rare cases, V. parahaemolyticus causes wound infection, ear infection or septicaemia in individuals with pre-existing medical conditions. V. parahaemolyticus has two hemolysins virulence factors that are thermostable direct hemolysin (tdh)-a pore-forming protein that contributes to the invasiveness of the bacterium in humans, and TDH-related hemolysin (trh), which plays a similar role as tdh in the disease pathogenesis. In addition, the bacterium is also encodes for adhesions and type III secretion systems (T3SS1 and T3SS2) to ensure its survival in the environment. This review aims at discussing the V. parahaemolyticus growth and characteristics, pathogenesis, prevalence and advances in molecular identification techniques. PMID:25566219

  6. Efficient Boolean and multi-input flow techniques for advanced mask data processing

    NASA Astrophysics Data System (ADS)

    Salazar, Daniel; Moore, Bill; Valadez, John

    2012-11-01

    Mask data preparation (MDP) typically involves multiple flows, sometimes consisting of many steps to ensure that the data is properly written on the mask. This may include multiple inputs, transformations (scaling, orientation, etc.), and processing (layer extraction, sizing, Boolean operations, data filtering). Many MDP techniques currently in practice require multiple passes through the input data and/or multiple file I/O steps to achieve these goals. This paper details an approach which efficiently process the data, resulting in minimal I/O and greatly improved turnaround times (TAT). This approach takes advanced processing algorithms and adapts them to produce efficient and reliable data flow. In tandem with this processing flow, an internal jobdeck mapping approach, transparent to the user, allows an essentially unlimited number of pattern inputs to be handled in a single pass, resulting in increased flexibility and ease of use. Transformations and processing operations are critical to MDP. Transformations such as scaling, reverse tone and orientation, along with processing including sizing, Boolean operations and data filtering are key parts of this. These techniques are often employed in sequence and/or in parallel in a complex functional chain. While transformations typically are done "up front" when the data is input, processing is less straightforward, involving multiple reads and writes to handle the more intricate functionality and also the collection of input patterns which may be required to produce the data that comprises a single mask. The approach detailed in this paper consists of two complementary techniques: efficient MDP flow and jobdeck mapping. Efficient MDP flow is achieved by pipelining the output of each step to the input of the subsequent step. Rather than writing the output of a particular processing step to file and then reading it in to the following step, the pipelining or chaining of the steps results in an efficient flow with

  7. PREFACE: 14th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2011)

    NASA Astrophysics Data System (ADS)

    Teodorescu, Liliana; Britton, David; Glover, Nigel; Heinrich, Gudrun; Lauret, Jérôme; Naumann, Axel; Speer, Thomas; Teixeira-Dias, Pedro

    2012-06-01

    ACAT2011 This volume of Journal of Physics: Conference Series is dedicated to scientific contributions presented at the 14th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2011) which took place on 5-7 September 2011 at Brunel University, UK. The workshop series, which began in 1990 in Lyon, France, brings together computer science researchers and practitioners, and researchers from particle physics and related fields in order to explore and confront the boundaries of computing and of automatic data analysis and theoretical calculation techniques. It is a forum for the exchange of ideas among the fields, exploring and promoting cutting-edge computing, data analysis and theoretical calculation techniques in fundamental physics research. This year's edition of the workshop brought together over 100 participants from all over the world. 14 invited speakers presented key topics on computing ecosystems, cloud computing, multivariate data analysis, symbolic and automatic theoretical calculations as well as computing and data analysis challenges in astrophysics, bioinformatics and musicology. Over 80 other talks and posters presented state-of-the art developments in the areas of the workshop's three tracks: Computing Technologies, Data Analysis Algorithms and Tools, and Computational Techniques in Theoretical Physics. Panel and round table discussions on data management and multivariate data analysis uncovered new ideas and collaboration opportunities in the respective areas. This edition of ACAT was generously sponsored by the Science and Technology Facility Council (STFC), the Institute for Particle Physics Phenomenology (IPPP) at Durham University, Brookhaven National Laboratory in the USA and Dell. We would like to thank all the participants of the workshop for the high level of their scientific contributions and for the enthusiastic participation in all its activities which were, ultimately, the key factors in the

  8. NMR studies of isotopically labeled RNA

    SciTech Connect

    Pardi, A.

    1994-12-01

    In summary, the ability to generate NMR quantities of {sup 15}N and {sup 13}C-labeled RNAs has led to the development of heteronuclear multi-dimensional NMR techniques for simplifying the resonance assignment and structure determination of RNAs. These methods for synthesizing isotopically labeled RNAs are only several years old, and thus there are still relatively few applications of heteronuclear multi-dimensional NMR techniques to RNA. However, given the critical role that RNAs play in cellular function, one can expect to see an increasing number of NMR structural studies of biologically active RNAs.

  9. HCN, A Triple-Resonance NMR Technique for Selective Observation of Histidine and Tryptophan Side Chains in 13C/ 15N-Labeled Proteins

    NASA Astrophysics Data System (ADS)

    Sudmeier, James L.; Ash, Elissa L.; Günther, Ulrich L.; Luo, Xuelian; Bullock, Peter A.; Bachovchin, William W.

    1996-12-01

    HCN, a new 3D NMR technique for stepwise coherence transfer from1H to13C to15N and reverse through direct spin couplings1JCHand1JCN, is presented as a method for detection and assignment of histidine and tryptophan side-chain1H,13C, and15N resonances in uniformly13C/15N-labeled proteins. Product-operator calculations of cross-peak volumes vs adjustable delay τ3were employed for determination of optimal τ3. For the phosphatidylinositol 3-kinase (PI3K SH3 domain, MW = 9.6 kD) at pH 6, H(C)N, the1H/15N projection, produced observable cross peaks within 20 min. and was completely selective for the single tryptophan and single histidine. The 3D HCN experiment yielded well-defined cross peaks in 20 h for the13C/15N-labeled origin-specific DNA binding domain from simian virus 40 T-antigen (T-ag-OBD131-259, MW = 15.4 kD) at pH 5.5. Resonances from all six histidines in T-ag-OBD were observed, and 11 of the 121H and13C chemical shifts and 10 of the 1215N chemical shifts were determined. The13C dimension proved essential in assignment of the multiply overlapping1H and15N resonances. From the spectra recorded at a single pH, three of the imidazoles were essentially neutral and the other three were partially protonated (22-37%). HCN yielded strong cross peaks after 18 h on a 2.0 mMsample of phenylmethanesulfonyl fluoride (PMSF)-inhibited α-lytic protease (MW = 19.8 kD) at pH 4.4. No spectra have been obtained, however, of native or boronic acid-inhibited α-lytic protease after 18 h at various temperatures ranging from 5 to 55°C, probably due to efficient relaxation of active-site imidazole1H and/or15N nuclei.

  10. HCN, a triple-resonance NMR technique for selective observation of histidine and tryptophan side chains in 13C/15N-labeled proteins.

    PubMed

    Sudmeier, J L; Ash, E L; Günther, U L; Luo, X; Bullock, P A; Bachovchin, W W

    1996-12-01

    HCN, a new 3D NMR technique for stepwise coherence transfer from 1H to 13C to 15N and reverse through direct spin couplings 1JCH and 1JCN, is presented as a method for detection and assignment of histidine and tryptophan side-chain 1H, 13C, and 15N resonances in uniformly 13C/15N-labeled proteins. Product-operator calculations of cross-peak volumes vs adjustable delay tau 3 were employed for determination of optimal tau 3. For the phosphatidylinositol 3-kinase (PI3K SH3 domain, MW = 9.6 kD) at pH 6, H(C)N, the 1H/15N projection, produced observable cross peaks within 20 min. and was completely selective for the single tryptophan and single histidine. The 3D HCN experiment yielded well-defined cross peaks in 20 h for the 13C/15N-labeled origin-specific DNA binding domain from simian virus 40 T-antigen (T-ag-OBD131-259, MW = 15.4 kD) at pH 5.5. Resonances from all six histidines in T-ag-OBD were observed, and 11 of the 12 1H and 13C chemical shifts and 10 of the 12 15N chemical shifts were determined. The 13C dimension proved essential in assignment of the multiply overlapping 1H and 15N resonances. From the spectra recorded at a single pH, three of the imidazoles were essentially neutral and the other three were partially protonated (22-37%). HCN yielded strong cross peaks after 18 h on a 2.0 mM sample of phenylmethanesulfonyl fluoride (PMSF)-inhibited alpha-lytic protease (MW = 19.8 kD) at pH 4.4. No spectra have been obtained, however, of native or boronic acid-inhibited alpha-lytic protease after 18 h at various temperatures ranging from 5 to 55 degrees C, probably due to efficient relaxation of active-site imidazole 1H and/or 15N nuclei.

  11. NMR Studies of Peroxidases.

    NASA Astrophysics Data System (ADS)

    Veitch, Nigel Charles

    Available from UMI in association with The British Library. Requires signed TDF. Peroxidases are a haem-containing group of enzymes with a wide diversity of function within biological systems. While a common characteristic is the ability to catalyse the conversion of hydrogen peroxide to water, it is the accompanying processes of hormone synthesis and degradation which have generated such a high level of interest. However, information at the molecular level is limited to a single well-resolved crystal structure, that of yeast cytochrome c peroxidase. This thesis presents a strategy for the investigation of peroxidase structure and function based on proton nuclear magnetic resonance spectroscopy, a technique which has the ability to address aspects of both protein structure and protein dynamics in solution. The application of one- and two-dimensional NMR techniques has been developed in the context of plant peroxidases, notably the isoenzyme HRP-C derived from the horseradish root. Characterisation of the proton NMR spectra of HRP -C in resting and ligated states provided new information enabling the structure of the binding site for aromatic donor molecules, such as indole-3-propionic, ferulic and benzhydroxamic acids, to be resolved. In order to overcome difficulties encountered with a protein of the complexity of peroxidase, additional information was obtained from chemical shift parameters and the use of peroxidase variants produced by site-directed mutagenesis. A comparative study using NMR spectroscopy was undertaken for wild-type recombinant HRP-C expressed in Escherichia coli, and two protein variants with substitutions made to residues located on the distal side of the haem pocket, Phe41 to Val and Arg38 to Lys. NMR analyses of a plant peroxidase from barley grains and the fungal peroxidase from Coprinus cinereus were also successful using methods conceived with HRP-C. Examination of three specifically constructed recombinant protein variants of C. cinereus

  12. Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Alver, Özgür; Dikmen, Gökhan

    2016-03-01

    Possible stable conformers, geometrical molecular structures, vibrational properties as well as band assignments, nuclear magnetic shielding tensors of 2-Fluoro-3-Methylpyridine-5-Boronic Acid (2F3MP5BA) were studied experimentally and theoretically using FT-IR, Raman, (CP/MAS) NMR and XRD spectroscopic methods. FT-IR and Raman spectra were evaluated in the region of 3500-400 cm-1, and 3200-400 cm-1, respectively. The optimized geometric structures, vibrational wavenumbers and nuclear magnetic shielding tensors were examined using Becke-3-Lee-Yang-Parr (B3LYP) hybrid density functional theory method with 6-311++G(d, p) basis set. 1H, 13C NMR chemical shifts were calculated using the gauge invariant atomic orbital (GIAO) method. 1H, 13C, APT and HETCOR NMR experiments of title molecule were carried out in DMSO solution. 13C CP/MAS NMR measurement was done with 4 mm zirconium rotor and glycine was used as an external standard. Single crystal of 2F3MP5BA was also prepared for XRD measurements. Assignments of vibrational wavenumbers were also strengthened by calculating the total energy distribution (TED) values using scaled quantum mechanical (SQM) method.

  13. Advancements in sensing and perception using structured lighting techniques :an LDRD final report.

    SciTech Connect

    Novick, David Keith; Padilla, Denise D.; Davidson, Patrick A. Jr.; Carlson, Jeffrey J.

    2005-09-01

    This report summarizes the analytical and experimental efforts for the Laboratory Directed Research and Development (LDRD) project entitled ''Advancements in Sensing and Perception using Structured Lighting Techniques''. There is an ever-increasing need for robust, autonomous ground vehicles for counterterrorism and defense missions. Although there has been nearly 30 years of government-sponsored research, it is undisputed that significant advancements in sensing and perception are necessary. We developed an innovative, advanced sensing technology for national security missions serving the Department of Energy, the Department of Defense, and other government agencies. The principal goal of this project was to develop an eye-safe, robust, low-cost, lightweight, 3D structured lighting sensor for use in broad daylight outdoor applications. The market for this technology is wide open due to the unavailability of such a sensor. Currently available laser scanners are slow, bulky and heavy, expensive, fragile, short-range, sensitive to vibration (highly problematic for moving platforms), and unreliable for outdoor use in bright sunlight conditions. Eye-safety issues are a primary concern for currently available laser-based sensors. Passive, stereo-imaging sensors are available for 3D sensing but suffer from several limitations : computationally intensive, require a lighted environment (natural or man-made light source), and don't work for many scenes or regions lacking texture or with ambiguous texture. Our approach leveraged from the advanced capabilities of modern CCD camera technology and Center 6600's expertise in 3D world modeling, mapping, and analysis, using structured lighting. We have a diverse customer base for indoor mapping applications and this research extends our current technology's lifecycle and opens a new market base for outdoor 3D mapping. Applications include precision mapping, autonomous navigation, dexterous manipulation, surveillance and

  14. Integrative NMR for biomolecular research.

    PubMed

    Lee, Woonghee; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R; Tonelli, Marco; Westler, William M; Butcher, Samuel E; Henzler-Wildman, Katherine A; Markley, John L

    2016-04-01

    NMR spectroscopy is a powerful technique for determining structural and functional features of biomolecules in physiological solution as well as for observing their intermolecular interactions in real-time. However, complex steps associated with its practice have made the approach daunting for non-specialists. We introduce an NMR platform that makes biomolecular NMR spectroscopy much more accessible by integrating tools, databases, web services, and video tutorials that can be launched by simple installation of NMRFAM software packages or using a cross-platform virtual machine that can be run on any standard laptop or desktop computer. The software package can be downloaded freely from the NMRFAM software download page ( http://pine.nmrfam.wisc.edu/download_packages.html ), and detailed instructions are available from the Integrative NMR Video Tutorial page ( http://pine.nmrfam.wisc.edu/integrative.html ).

  15. Nanostructural defects evidenced in failing silicon-based NMOS capacitors by advanced failure analysis techniques

    NASA Astrophysics Data System (ADS)

    Faivre, Emilie; Llido, Roxane; Putero, Magali; Fares, Lahouari; Muller, Christophe

    2014-04-01

    An experimental methodology compliant with industrial constraints was deployed to uncover the origin of soft breakdown events in large planar silicon-based NMOS capacitors. Complementary advanced failure analysis techniques were advantageously employed to localize, isolate and observe structural defects at nanoscale. After an accurate localization of the failing area by optical beam-induced resistance change (OBIRCH), focused ion beam (FIB) technique enabled preparing thin specimens adequate for transmission electron microscopy (TEM). Characterization of the gate oxide microstructure was performed by highresolution TEM imaging and energy-filtered spectroscopy. A dedicated experimental protocol relying on iterative FIB thinning and TEM observation enabled improving the quality of electron imaging of defects at atom scale. In that way, the gate oxide integrity was evaluated and an electrical stress-induced silicon epitaxy was detected concomitantly to soft breakdown events appearing during constant voltage stress. The growth of silicon hillocks enables consuming a part of the breakdown energy and may prevent the soft breakdown event to evolve towards a hard breakdown that is catastrophic for device functionality.

  16. Pilot-scale investigation of drinking water ultrafiltration membrane fouling rates using advanced data analysis techniques.

    PubMed

    Chen, Fei; Peldszus, Sigrid; Peiris, Ramila H; Ruhl, Aki S; Mehrez, Renata; Jekel, Martin; Legge, Raymond L; Huck, Peter M

    2014-01-01

    A pilot-scale investigation of the performance of biofiltration as a pre-treatment to ultrafiltration for drinking water treatment was conducted between 2008 and 2010. The objective of this study was to further understand the fouling behaviour of ultrafiltration at pilot scale and assess the utility of different foulant monitoring tools. Various fractions of natural organic matter (NOM) and colloidal/particulate matter of raw water, biofilter effluents, and membrane permeate were characterized by employing two advanced NOM characterization techniques: liquid chromatography - organic carbon detection (LC-OCD) and fluorescence excitation-emission matrices (FEEM) combined with principal component analysis (PCA). A framework of fouling rate quantification and classification was also developed and utilized in this study. In cases such as the present one where raw water quality and therefore fouling potential vary substantially, such classification can be considered essential for proper data interpretation. The individual and combined contributions of various NOM fractions and colloidal/particulate matter to hydraulically reversible and irreversible fouling were investigated using various multivariate statistical analysis techniques. Protein-like substances and biopolymers were identified as major contributors to both reversible and irreversible fouling, whereas colloidal/particulate matter can alleviate the extent of irreversible fouling. Humic-like substances contributed little to either reversible or irreversible fouling at low level fouling rates. The complementary nature of FEEM-PCA and LC-OCD for assessing the fouling potential of complex water matrices was also illustrated by this pilot-scale study.

  17. Advanced Modeling Techniques to Study Anthropogenic Influences on Atmospheric Chemical Budgets

    NASA Technical Reports Server (NTRS)

    Mathur, Rohit

    1997-01-01

    This research work is a collaborative effort between research groups at MCNC and the University of North Carolina at Chapel Hill. The overall objective of this research is to improve the level of understanding of the processes that determine the budgets of chemically and radiatively active compounds in the atmosphere through development and application of advanced methods for calculating the chemical change in atmospheric models. The research performed during the second year of this project focused on four major aspects: (1) The continued development and refinement of multiscale modeling techniques to address the issue of the disparate scales of the physico-chemical processes that govern the fate of atmospheric pollutants; (2) Development and application of analysis methods utilizing process and mass balance techniques to increase the interpretive powers of atmospheric models and to aid in complementary analysis of model predictions and observations; (3) Development of meteorological and emission inputs for initial application of the chemistry/transport model over the north Atlantic region; and, (4) The continued development and implementation of a totally new adaptive chemistry representation that changes the details of what is represented as the underlying conditions change.

  18. Development of Advanced In-Situ Techniques for Chemistry Monitoring and Corrosion Mitigation in SCWO Environments

    SciTech Connect

    Macdonald, D. D.; Lvov, S. N.

    2000-03-31

    This project is developing sensing technologies and corrosion monitoring techniques for use in super critical water oxidation (SCWO) systems to reduce the volume of mixed low-level nuclear waste by oxidizing organic components in a closed cycle system where CO2 and other gaseous oxides are produced, leaving the radioactive elements concentrated in ash. The technique uses water at supercritical temperatures under highly oxidized conditions by maintaining a high fugacity of molecular oxygen in the system, which causes high corrosion rates of even the most corrosive resistant reactor materials. This project significantly addresses the high corrosion shortcoming through development of (a) advanced electrodes and sensors for in situ potentiometric monitoring of pH in high subcritical and supercritical aqueous solutions, (b) an approach for evaluating the association constants for 1-1 aqueous electrolytes using a flow-through electrochemical thermocell; (c) an electrochemical noise sensor for the in situ measurement of corrosion rate in subcritical and supercritical aqueous systems; (d) a model for estimating the effect of pressure on reaction rates, including corrosion reactions, in high subcritical and supercritical aqueous systems. The project achieved all objectives, except for installing some of the sensors into a fully operating SCWO system.

  19. Advancing the frontiers in nanocatalysis, biointerfaces, and renewable energy conversion by innovations of surface techniques.

    PubMed

    Somorjai, Gabor A; Frei, Heinz; Park, Jeong Y

    2009-11-25

    The challenge of chemistry in the 21st century is to achieve 100% selectivity of the desired product molecule in multipath reactions ("green chemistry") and develop renewable energy based processes. Surface chemistry and catalysis play key roles in this enterprise. Development of in situ surface techniques such as high-pressure scanning tunneling microscopy, sum frequency generation (SFG) vibrational spectroscopy, time-resolved Fourier transform infrared methods, and ambient pressure X-ray photoelectron spectroscopy enabled the rapid advancement of three fields: nanocatalysts, biointerfaces, and renewable energy conversion chemistry. In materials nanoscience, synthetic methods have been developed to produce monodisperse metal and oxide nanoparticles (NPs) in the 0.8-10 nm range with controlled shape, oxidation states, and composition; these NPs can be used as selective catalysts since chemical selectivity appears to be dependent on all of these experimental parameters. New spectroscopic and microscopic techniques have been developed that operate under reaction conditions and reveal the dynamic change of molecular structure of catalysts and adsorbed molecules as the reactions proceed with changes in reaction intermediates, catalyst composition, and oxidation states. SFG vibrational spectroscopy detects amino acids, peptides, and proteins adsorbed at hydrophobic and hydrophilic interfaces and monitors the change of surface structure and interactions with coadsorbed water. Exothermic reactions and photons generate hot electrons in metal NPs that may be utilized in chemical energy conversion. The photosplitting of water and carbon dioxide, an important research direction in renewable energy conversion, is discussed.

  20. Advanced system identification techniques for wind turbine structures with special emphasis on modal parameters

    NASA Astrophysics Data System (ADS)

    Bialasiewicz, J. T.

    1995-06-01

    The goal is to develop advanced system identification techniques that can be used to accurately measure the frequency response functions of a wind-turbine structure immersed in wind noise. To allow for accurate identification, the authors have developed a special test signal called the pseudo-random binary sequence (PRBS). The Matlab program that generates this signal allows the user to interactively tailor its parameters for the frequency range of interest based on the response of the wind turbine under test. By controlling NREL's Mobile Hydraulic Shaker System, which is attached to the wind turbine structure, the PRBS signal produces the wide-band excitation necessary to perform system identification in the presence of wind noise. The techniques presented here will enable researchers to obtain modal parameters from an operating wind turbine, including frequencies, damping coefficients, and mode shapes. More importantly, the algorithms they have developed and tested (so far using input-output data from a simulated structure) permit state-space representation of the system under test, particularly the modal state space representation. This is the only system description that reveals the internal behavior of the system, such as the interaction between the physical parameters, and which, in contrast to transfer functions, is valid for non-zero initial conditions.

  1. Investigation to advance prediction techniques of the low-speed aerodynamics of V/STOL aircraft

    NASA Technical Reports Server (NTRS)

    Maskew, B.; Strash, D.; Nathman, J.; Dvorak, F. A.

    1985-01-01

    A computer program, VSAERO, has been applied to a number of V/STOL configurations with a view to advancing prediction techniques for the low-speed aerodynamic characteristics. The program couples a low-order panel method with surface streamline calculation and integral boundary layer procedures. The panel method--which uses piecewise constant source and doublet panels-includes an iterative procedure for wake shape and models boundary layer displacement effect using the source transpiration technique. Certain improvements to a basic vortex tube jet model were installed in the code prior to evaluation. Very promising results were obtained for surface pressures near a jet issuing at 90 deg from a flat plate. A solid core model was used in the initial part of the jet with a simple entrainment model. Preliminary representation of the downstream separation zone significantly improve the correlation. The program accurately predicted the pressure distribution inside the inlet on the Grumman 698-411 design at a range of flight conditions. Furthermore, coupled viscous/potential flow calculations gave very close correlation with experimentally determined operational boundaries dictated by the onset of separation inside the inlet. Experimentally observed degradation of these operational boundaries between nacelle-alone tests and tests on the full configuration were also indicated by the calculation. Application of the program to the General Dynamics STOL fighter design were equally encouraging. Very close agreement was observed between experiment and calculation for the effects of power on pressure distribution, lift and lift curve slope.

  2. Advancing the Frontiers in Nanocatalysis, Biointerfaces, and Renewable Energy Conversion by Innovations of Surface Techniques

    SciTech Connect

    Somorjai, G.A.; Frei, H.; Park, J.Y.

    2009-07-23

    The challenge of chemistry in the 21st century is to achieve 100% selectivity of the desired product molecule in multipath reactions ('green chemistry') and develop renewable energy based processes. Surface chemistry and catalysis play key roles in this enterprise. Development of in situ surface techniques such as high-pressure scanning tunneling microscopy, sum frequency generation (SFG) vibrational spectroscopy, time-resolved Fourier transform infrared methods, and ambient pressure X-ray photoelectron spectroscopy enabled the rapid advancement of three fields: nanocatalysts, biointerfaces, and renewable energy conversion chemistry. In materials nanoscience, synthetic methods have been developed to produce monodisperse metal and oxide nanoparticles (NPs) in the 0.8-10 nm range with controlled shape, oxidation states, and composition; these NPs can be used as selective catalysts since chemical selectivity appears to be dependent on all of these experimental parameters. New spectroscopic and microscopic techniques have been developed that operate under reaction conditions and reveal the dynamic change of molecular structure of catalysts and adsorbed molecules as the reactions proceed with changes in reaction intermediates, catalyst composition, and oxidation states. SFG vibrational spectroscopy detects amino acids, peptides, and proteins adsorbed at hydrophobic and hydrophilic interfaces and monitors the change of surface structure and interactions with coadsorbed water. Exothermic reactions and photons generate hot electrons in metal NPs that may be utilized in chemical energy conversion. The photosplitting of water and carbon dioxide, an important research direction in renewable energy conversion, is discussed.

  3. EPS in Environmental Microbial Biofilms as Examined by Advanced Imaging Techniques

    NASA Astrophysics Data System (ADS)

    Neu, T. R.; Lawrence, J. R.

    2006-12-01

    Biofilm communities are highly structured associations of cellular and polymeric components which are involved in biogenic and geogenic environmental processes. Furthermore, biofilms are also important in medical (infection), industrial (biofouling) and technological (biofilm engineering) processes. The interfacial microbial communities in a specific habitat are highly dynamic and change according to the environmental parameters affecting not only the cellular but also the polymeric constituents of the system. Through their EPS biofilms interact with dissolved, colloidal and particulate compounds from the bulk water phase. For a long time the focus in biofilm research was on the cellular constituents in biofilms and the polymer matrix in biofilms has been rather neglected. The polymer matrix is produced not only by different bacteria and archaea but also by eukaryotic micro-organisms such as algae and fungi. The mostly unidentified mixture of EPS compounds is responsible for many biofilm properties and is involved in biofilm functionality. The chemistry of the EPS matrix represents a mixture of polymers including polysaccharides, proteins, nucleic acids, neutral polymers, charged polymers, amphiphilic polymers and refractory microbial polymers. The analysis of the EPS may be done destructively by means of extraction and subsequent chemical analysis or in situ by means of specific probes in combination with advanced imaging. In the last 15 years laser scanning microscopy (LSM) has been established as an indispensable technique for studying microbial communities. LSM with 1-photon and 2-photon excitation in combination with fluorescence techniques allows 3-dimensional investigation of fully hydrated, living biofilm systems. This approach is able to reveal data on biofilm structural features as well as biofilm processes and interactions. The fluorescent probes available allow the quantitative assessment of cellular as well as polymer distribution. For this purpose

  4. PREFACE: 15th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT2013)

    NASA Astrophysics Data System (ADS)

    Wang, Jianxiong

    2014-06-01

    This volume of Journal of Physics: Conference Series is dedicated to scientific contributions presented at the 15th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2013) which took place on 16-21 May 2013 at the Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, China. The workshop series brings together computer science researchers and practitioners, and researchers from particle physics and related fields to explore and confront the boundaries of computing and of automatic data analysis and theoretical calculation techniques. This year's edition of the workshop brought together over 120 participants from all over the world. 18 invited speakers presented key topics on the universe in computer, Computing in Earth Sciences, multivariate data analysis, automated computation in Quantum Field Theory as well as computing and data analysis challenges in many fields. Over 70 other talks and posters presented state-of-the-art developments in the areas of the workshop's three tracks: Computing Technologies, Data Analysis Algorithms and Tools, and Computational Techniques in Theoretical Physics. The round table discussions on open-source, knowledge sharing and scientific collaboration stimulate us to think over the issue in the respective areas. ACAT 2013 was generously sponsored by the Chinese Academy of Sciences (CAS), National Natural Science Foundation of China (NFSC), Brookhaven National Laboratory in the USA (BNL), Peking University (PKU), Theoretical Physics Cernter for Science facilities of CAS (TPCSF-CAS) and Sugon. We would like to thank all the participants for their scientific contributions and for the en- thusiastic participation in all its activities of the workshop. Further information on ACAT 2013 can be found at http://acat2013.ihep.ac.cn. Professor Jianxiong Wang Institute of High Energy Physics Chinese Academy of Science Details of committees and sponsors are available in the PDF

  5. Recent Advances in Stable Isotope Techniques for N2O Source Partitioning in Soils

    NASA Astrophysics Data System (ADS)

    Baggs, E.; Mair, L.; Mahmood, S.

    2007-12-01

    The use of 13C, 15N and 18O enables us to overcome uncertainties associated with soil C and N processes and to assess the links between species diversity and ecosystem function. Recent advances in stable isotope techniques enable determination of process rates, and are fundamental for examining interactions between C and N cycles. Here we will introduce the 15N-, 18O- and 13C-enrichment techniques we have developed to distinguish between different N2O-producing processes in situ in soils, presenting selected results, and will critically assess their potential, alone and in combination with molecular techniques, to help address key research questions for soil biogeochemistry and microbial ecology. We have developed 15N- 18O-enrichment techniques to distinguish between, and to quantify, N2O production during ammonia oxidation, nitrifier denitrification and denitrification. This provides a great advantage over natural abundance approaches as it enables quantification of N2O from each microbial source, which can be coupled with quantification of N2 production, and used to examine interactions between different processes and cycles. These approaches have also provided new insights into the N cycle and how it interacts with the C cycle. For example, we now know that ammonia oxidising bacteria significantly contribute to N2O emissions from soils, both via the traditionally accepted ammonia oxidation pathway, and also via denitrification (nitrifier denitrification) which can proceed even under aerobic conditions. We are also linking emissions from each source to diversity and activity of relevant microbial functional groups, for example through the development and application of a specific nirK primer for the nitrite reductase in ammonia oxidising bacteria. Recently, isotopomers have been proposed as an alternative for source partitioning N2O at natural abundance levels, and offers the potential to investigate N2O production from nitrate ammonification, and overcomes the

  6. Solid-state NMR of inorganic semiconductors.

    PubMed

    Yesinowski, James P

    2012-01-01

    Studies of inorganic semiconductors by solid-state NMR vary widely in terms of the nature of the samples investigated, the techniques employed to observe the NMR signal, and the types of information obtained. Compared with the NMR of diamagnetic non-semiconducting substances, important differences often result from the presence of electron or hole carriers that are the hallmark of semiconductors, and whose theoretical interpretation can be involved. This review aims to provide a broad perspective on the topic for the non-expert by providing: (1) a basic introduction to semiconductor physical concepts relevant to NMR, including common crystal structures and the various methods of making samples; (2) discussions of the NMR spin Hamiltonian, details of some of the NMR techniques and strategies used to make measurements and theoretically predict NMR parameters, and examples of how each of the terms in the Hamiltonian has provided useful information in bulk semiconductors; (3) a discussion of the additional considerations needed to interpret the NMR of nanoscale semiconductors, with selected examples. The area of semiconductor NMR is being revitalized by this interest in nanoscale semiconductors, the great improvements in NMR detection sensitivity and resolution that have occurred, and the current interest in optical pumping and spintronics-related studies. Promising directions for future research will be noted throughout.

  7. β-NMR

    NASA Astrophysics Data System (ADS)

    Morris, Gerald D.

    2014-01-01

    The β-NMR facility at ISAC is constructed specifically for experiments in condensed matter physics with radioactive ion beams. Using co-linear optical pumping, a 8Li + ion beam having a large nuclear spin polarisation and low energy (nominally 30 keV) can be generated. When implanted into materials these ions penetrate to shallow depths comparable to length scales of interest in the physics of surfaces and interfaces between materials. Such low-energy ions can be decelerated with simple electrostatic optics to enable depth-resolved studies of near-surface phenomena over the range of about 2-200 nm. Since the β-NMR signal is extracted from the asymmetry intrinsic to beta-decay and therefore monitors the polarisation of the radioactive probe nuclear magnetic moments, this technique is fundamentally a probe of local magnetism. More generally though, any phenomena which affects the polarisation of the implanted spins by, for example, a change in resonance frequency, line width or relaxation rate can be studied. The β-NMR program at ISAC currently supports a number of experiments in magnetism and superconductivity as well as novel ultra-thin heterostructures exhibiting properties that cannot occur in bulk materials. The general purpose zero/low field and high field spectrometers are configured to perform CW and pulsed RF nuclear magnetic resonance and spin relaxation experiments over a range of temperatures (3-300 K) and magnetic fields (0-9 T).

  8. New strategy for stable-isotope-aided, multidimensional NMR spectroscopy of DNA oligomers

    SciTech Connect

    Ono, Okira; Tate, Shin-Ichi; Kainosho, Masatsune

    1994-12-01

    Nuclear Magnetic Resonance (NMR) is the most efficient method for determining the solution structures of biomolecules. By applying multidimensional heteronuclear NMR techniques to {sup 13}C/{sup 15}N-labeled proteins, we can determine the solution structures of proteins with molecular mass of 20 to 30kDa at an accuracy similar to that of x-ray crystallography. Improvements in NMR instrumentation and techniques as well as the development of protein engineering methods for labeling proteins have rapidly advanced multidimensional heteronuclear NMR of proteins. In contrast, multidimensional heteronuclear NMR studies of nucleic acids is less advanced because there were no efficient methods for preparing large amounts of labeled DNA/RNA oligomers. In this report, we focused on the chemical synthesis of DNA oligomers labeled at specific residue(s). RNA oligomers with specific labels, which are difficult to synthesize by the enzyme method, can be synthesized by the chemical method. The specific labels are useful for conformational analysis of larger molecules such as protein-nucleic acid complexes.

  9. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1988-01-01

    This report covers the progress made on the title project during the current reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. This quarter we have focused on variable temperature spin lattice relaxation measurements for several of the Argonne coals. 5 figs.

  10. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1988-01-01

    This report covers the progress made on the title project during the current reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. This quarter we have focussed on spin lattice relaxation measurements for several of the Argonne coals. 2 figs., 1 tab.

  11. Structural basis of a temporin 1b analogue antimicrobial activity against Gram negative bacteria determined by CD and NMR techniques in cellular environment.

    PubMed

    Malgieri, Gaetano; Avitabile, Concetta; Palmieri, Maddalena; D'Andrea, Luca Domenico; Isernia, Carla; Romanelli, Alessandra; Fattorusso, Roberto

    2015-04-17

    We here report an original approach to elucidate mechanisms of action of antimicrobial peptides and derive crucial structural requirements for the design of novel therapeutic agents. The high resolution structure of TB_KKG6A, an antimicrobial peptide designed to amplify the spectrum of action of Temporin B, bound to E. coli is here determined by means of CD and NMR methodologies. We have also defined, through STD analysis, the residues in closer proximity to the bacterial membrane.

  12. Characterization and quantification of N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine biocide by NMR, HPLC/MS and titration techniques.

    PubMed

    Mondin, Andrea; Bogialli, Sara; Venzo, Alfonso; Favaro, Gabriella; Badocco, Denis; Pastore, Paolo

    2014-01-01

    The present paper reports the determination of the tri-amine N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine (TA) present in a raw material called LONZABAC used to formulate various, widely used commercial biocides. The active principle, TA, is present in LONZABAC together with other molecules at lower concentration levels. Three independent analytical approaches, namely solution NMR spectroscopy, liquid chromatography coupled to high resolution mass spectrometry (LC/HRMS) and acid-base titration in mixed solvent, were used to overcome the problem of the non-availability of the active principle as high purity standard. NMR analysis of raw material, using a suitable internal standard, evidenced in all analyzed lots the presence of the active principle, the N-dodecyl-1,3-propanediamine (DA) and the n-dodecylamine (MA) and the absence of non-organic, NMR-inactive species. NMR peak integration led to a rough composition of the MA:DA:TA as 1:9:90. The LC/HRMS analysis allowed the accurate determination of DA and MA and confirmed in all samples the presence of the TA, which was estimated by difference: MA=1.4±0.3%, DA=11.1±0.7%, TA=87.5±1.3%. The obtained results were used to setup an easy, rapid and cheap acid-base titration method able to furnish a sufficiently accurate evaluation of the active principle both in the raw material and in diluted commercial products. For the raw material the results were: TA+MA=91.1±0.8% and DA-MA=8.9±0.8%, statistically coherent with LC/MS ones. The LC/MS approach demonstrated also its great potentialities to recognize trace of the biocide components both in environmental samples and in the formulated commercial products.

  13. Craniospinal Irradiation Techniques: A Dosimetric Comparison of Proton Beams With Standard and Advanced Photon Radiotherapy

    SciTech Connect

    Yoon, Myonggeun; Shin, Dong Ho; Kim, Jinsung; Kim, Jong Won; Kim, Dae Woong; Park, Sung Yong; Lee, Se Byeong; Kim, Joo Young; Park, Hyeon-Jin; Park, Byung Kiu; Shin, Sang Hoon

    2011-11-01

    Purpose: To evaluate the dosimetric benefits of advanced radiotherapy techniques for craniospinal irradiation in cancer in children. Methods and Materials: Craniospinal irradiation (CSI) using three-dimensional conformal radiotherapy (3D-CRT), tomotherapy (TOMO), and proton beam treatment (PBT) in the scattering mode was planned for each of 10 patients at our institution. Dosimetric benefits and organ-specific radiation-induced cancer risks were based on comparisons of dose-volume histograms (DVHs) and on the application of organ equivalent doses (OEDs), respectively. Results: When we analyzed the organ-at-risk volumes that received 30%, 60%, and 90% of the prescribed dose (PD), we found that PBT was superior to TOMO and 3D-CRT. On average, the doses delivered by PBT to the esophagus, stomach, liver, lung, pancreas, and kidney were 19.4 Gy, 0.6 Gy, 0.3 Gy, 2.5 Gy, 0.2 Gy, and 2.2 Gy for the PD of 36 Gy, respectively, which were significantly lower than the doses delivered by TOMO (22.9 Gy, 4.5 Gy, 6.1 Gy, 4.0 Gy, 13.3 Gy, and 4.9 Gy, respectively) and 3D-CRT (34.6 Gy, 3.6 Gy, 8.0 Gy, 4.6 Gy, 22.9 Gy, and 4.3 Gy, respectively). Although the average doses delivered by PBT to the chest and abdomen were significantly lower than those of 3D-CRT or TOMO, these differences were reduced in the head-and-neck region. OED calculations showed that the risk of secondary cancers in organs such as the stomach, lungs, thyroid, and pancreas was much higher when 3D-CRT or TOMO was used than when PBT was used. Conclusions: Compared with photon techniques, PBT showed improvements in most dosimetric parameters for CSI patients, with lower OEDs to organs at risk.

  14. Application of Energy Integration Techniques to the Design of Advanced Life Support Systems

    NASA Technical Reports Server (NTRS)

    Levri, Julie; Finn, Cory

    2000-01-01

    Exchanging heat between hot and cold streams within an advanced life support system can save energy. This savings will reduce the equivalent system mass (ESM) of the system. Different system configurations are examined under steady-state conditions for various percentages of food growth and waste treatment. The scenarios investigated represent possible design options for a Mars reference mission. Reference mission definitions are drawn from the ALSS Modeling and Analysis Reference Missions Document, which includes definitions for space station evolution, Mars landers, and a Mars base. For each scenario, streams requiring heating or cooling are identified and characterized by mass flow, supply and target temperatures and heat capacities. The Pinch Technique is applied to identify good matches for energy exchange between the hot and cold streams and to calculate the minimum external heating and cooling requirements for the system. For each pair of hot and cold streams that are matched, there will be a reduction in the amount of external heating and cooling required, and the original heating and cooling equipment will be replaced with a heat exchanger. The net cost savings can be either positive or negative for each stream pairing, and the priority for implementing each pairing can be ranked according to its potential cost savings. Using the Pinch technique, a complete system heat exchange network is developed and heat exchangers are sized to allow for calculation of ESM. The energy-integrated design typically has a lower total ESM than the original design with no energy integration. A comparison of ESM savings in each of the scenarios is made to direct future Pinch Analysis efforts.

  15. Classification of human colonic tissues using FTIR spectra and advanced statistical techniques

    NASA Astrophysics Data System (ADS)

    Zwielly, A.; Argov, S.; Salman, A.; Bogomolny, E.; Mordechai, S.

    2010-04-01

    One of the major public health hazards is colon cancer. There is a great necessity to develop new methods for early detection of cancer. If colon cancer is detected and treated early, cure rate of more than 90% can be achieved. In this study we used FTIR microscopy (MSP), which has shown a good potential in the last 20 years in the fields of medical diagnostic and early detection of abnormal tissues. Large database of FTIR microscopic spectra was acquired from 230 human colonic biopsies. Five different subgroups were included in our database, normal and cancer tissues as well as three stages of benign colonic polyps, namely, mild, moderate and severe polyps which are precursors of carcinoma. In this study we applied advanced mathematical and statistical techniques including principal component analysis (PCA) and linear discriminant analysis (LDA), on human colonic FTIR spectra in order to differentiate among the mentioned subgroups' tissues. Good classification accuracy between normal, polyps and cancer groups was achieved with approximately 85% success rate. Our results showed that there is a great potential of developing FTIR-micro spectroscopy as a simple, reagent-free viable tool for early detection of colon cancer in particular the early stages of premalignancy among the benign colonic polyps.

  16. Advanced techniques and painless procedures for nonlinear contact analysis and forming simulation via implicit FEM

    NASA Astrophysics Data System (ADS)

    Zhuang, Shoubing

    2013-05-01

    Nonlinear contact analysis including forming simulation via finite element methods has a crucial and practical application in many engineering fields. However, because of high nonlinearity, nonlinear contact analysis still remains as an extremely challenging obstacle for many industrial applications. The implicit finite element scheme is generally more accurate than the explicit finite element scheme, but it has a known challenge of convergence because of complex geometries, large relative motion and rapid contact state change. It might be thought as a very painful process to diagnose the convergence issue of nonlinear contact. Most complicated contact models have a great many contact surfaces, and it is hard work to well define the contact pairs using the common contact definition methods, which either result in hundreds of contact pairs or are time-consuming. This paper presents the advanced techniques of nonlinear contact analysis and forming simulation via the implicit finite element scheme and the penalty method. The calculation of the default automatic contact stiffness is addressed. Furthermore, this paper presents the idea of selection groups to help easily and efficiently define contact pairs for complicated contact analysis, and the corresponding implementation and usage are discussed. Lastly, typical nonlinear contact models and forming models with nonlinear material models are shown in the paper to demonstrate the key presented method and technologies.

  17. On Advanced Estimation Techniques for Exoplanet Detection and Characterization Using Ground-based Coronagraphs

    PubMed Central

    Lawson, Peter R.; Poyneer, Lisa; Barrett, Harrison; Frazin, Richard; Caucci, Luca; Devaney, Nicholas; Furenlid, Lars; Gładysz, Szymon; Guyon, Olivier; Krist, John; Maire, Jérôme; Marois, Christian; Mawet, Dimitri; Mouillet, David; Mugnier, Laurent; Pearson, Iain; Perrin, Marshall; Pueyo, Laurent; Savransky, Dmitry

    2015-01-01

    The direct imaging of planets around nearby stars is exceedingly difficult. Only about 14 exoplanets have been imaged to date that have masses less than 13 times that of Jupiter. The next generation of planet-finding coronagraphs, including VLT-SPHERE, the Gemini Planet Imager, Palomar P1640, and Subaru HiCIAO have predicted contrast performance of roughly a thousand times less than would be needed to detect Earth-like planets. In this paper we review the state of the art in exoplanet imaging, most notably the method of Locally Optimized Combination of Images (LOCI), and we investigate the potential of improving the detectability of faint exoplanets through the use of advanced statistical methods based on the concepts of the ideal observer and the Hotelling observer. We propose a formal comparison of techniques using a blind data challenge with an evaluation of performance using the Receiver Operating Characteristic (ROC) and Localization ROC (LROC) curves. We place particular emphasis on the understanding and modeling of realistic sources of measurement noise in ground-based AO-corrected coronagraphs. The work reported in this paper is the result of interactions between the co-authors during a week-long workshop on exoplanet imaging that was held in Squaw Valley, California, in March of 2012. PMID:26347393

  18. On Advanced Estimation Techniques for Exoplanet Detection and Characterization Using Ground-based Coronagraphs.

    PubMed

    Lawson, Peter R; Poyneer, Lisa; Barrett, Harrison; Frazin, Richard; Caucci, Luca; Devaney, Nicholas; Furenlid, Lars; Gładysz, Szymon; Guyon, Olivier; Krist, John; Maire, Jérôme; Marois, Christian; Mawet, Dimitri; Mouillet, David; Mugnier, Laurent; Pearson, Iain; Perrin, Marshall; Pueyo, Laurent; Savransky, Dmitry

    2012-07-01

    The direct imaging of planets around nearby stars is exceedingly difficult. Only about 14 exoplanets have been imaged to date that have masses less than 13 times that of Jupiter. The next generation of planet-finding coronagraphs, including VLT-SPHERE, the Gemini Planet Imager, Palomar P1640, and Subaru HiCIAO have predicted contrast performance of roughly a thousand times less than would be needed to detect Earth-like planets. In this paper we review the state of the art in exoplanet imaging, most notably the method of Locally Optimized Combination of Images (LOCI), and we investigate the potential of improving the detectability of faint exoplanets through the use of advanced statistical methods based on the concepts of the ideal observer and the Hotelling observer. We propose a formal comparison of techniques using a blind data challenge with an evaluation of performance using the Receiver Operating Characteristic (ROC) and Localization ROC (LROC) curves. We place particular emphasis on the understanding and modeling of realistic sources of measurement noise in ground-based AO-corrected coronagraphs. The work reported in this paper is the result of interactions between the co-authors during a week-long workshop on exoplanet imaging that was held in Squaw Valley, California, in March of 2012.

  19. Simultaneous evaluation of prepulse inhibition with EMG and EEG using advanced artifact removal techniques.

    PubMed

    Fraga, Francisco J; Noya, Claudemiro V; Zimiani, Maria I; Avila, Milton A; Shuhama, Rosana; Del-Ben, Cristina M; Menezes, Paulo R; Martin, Rodrigo S; Salum, Cristiane

    2016-08-01

    Prepulse inhibition (PPI) consists of a reduction of the acoustic startle reflex (SR) magnitude (measured with EMG) when a startling stimulus is preceded by a non-startling one. This behavior has been extensively investigated in studies related to schizophrenia, since sensory-motor deficit plays a central role in its pathophysiology. However, the same auditory stimuli that trigger the SR also provoke intense auditory evoked responses (AEP), which can be measured with EEG. Comparing these two types of responses, acquired simultaneously, is a great opportunity to investigate the dependence and interdependence of their neural pathways. Nonetheless, so far very few studies have dared to perform such simultaneous recordings, because SR produces strong eye blinks and muscle contraction artifacts that contaminate EEG electrodes placed on the scalp. In this study we investigated the possibility of simultaneously obtaining both the acoustic SR (using EMG) and the AEP (using EEG) measures, through the use of advanced artifact removal techniques, to better characterize PPI in healthy humans.

  20. Analysis of deformation patterns through advanced DINSAR techniques in Istanbul megacity

    NASA Astrophysics Data System (ADS)

    Balik Sanli, F.; Calò, F.; Abdikan, S.; Pepe, A.; Gorum, T.

    2014-09-01

    As result of the Turkey's economic growth and heavy migration processes from rural areas, Istanbul has experienced a high urbanization rate, with severe impacts on the environment in terms of natural resources pressure, land-cover changes and uncontrolled sprawl. As a consequence, the city became extremely vulnerable to natural and man-made hazards, inducing ground deformation phenomena that threaten buildings and infrastructures and often cause significant socio-economic losses. Therefore, the detection and monitoring of such deformation patterns is of primary importance for hazard and risk assessment as well as for the design and implementation of effective mitigation strategies. Aim of this work is to analyze the spatial distribution and temporal evolution of deformations affecting the Istanbul metropolitan area, by exploiting advanced Differential SAR Interferometry (DInSAR) techniques. In particular, we apply the Small BAseline Subset (SBAS) approach to a dataset of 43 TerraSAR-X images acquired, between November 2010 and June 2012, along descending orbits with an 11-day revisit time and a 3 m × 3 m spatial resolution. The SBAS processing allowed us to remotely detect and monitor subsidence patterns over all the urban area as well as to provide detailed information at the scale of the single building. Such SBAS measurements, effectively integrated with ground-based monitoring data and thematic maps, allows to explore the relationship between the detected deformation phenomena and urbanization, contributing to improve the urban planning and management.

  1. Nanocasting technique to prepare lotus-leaf-like superhydrophobic electroactive polyimide as advanced anticorrosive coatings.

    PubMed

    Chang, Kung-Chin; Lu, Hsin-I; Peng, Chih-Wei; Lai, Mei-Chun; Hsu, Sheng-Chieh; Hsu, Min-Hsiang; Tsai, Yuan-Kai; Chang, Chi-Hao; Hung, Wei-I; Wei, Yen; Yeh, Jui-Ming

    2013-02-01

    Nanocasting technique was used to obtain a biomimetic superhydrophobic electroactive polyimide (SEPI) surface structure from a natural Xanthosoma sagittifolium leaf. An electroactive polyimide (EPI) was first synthesized through thermal imidization. An impression of the superhydrophobic Xanthosoma sagittifolium leaf was then nanocasted onto the surface of the EPI so that the resulting EPI was superhydrophobic and would prevent corrosion. Polydimethylsiloxane (PDMS) was then used as a negative template to transfer the impression of the superhydrophobic surface of the biomimetic EPI onto a cold-rolled steel (CRS) electrode. The superhydrophobic electroactive material could be used as advanced coatings that protect metals against corrosion. The morphology of the surface of the as-synthesized SEPI coating was investigated using scanning electron microscopy (SEM). The surface showed numerous micromastoids, each decorated with many nanowrinkles. The water contact angle (CA) for the SEPI coating was 155°, which was significantly larger than that for the EPI coating (i.e., CA = 87°). The significant increase in the contact angle indicated that the biomimetic morphology effectively repelled water. Potentiodynamic and electrochemical impedance spectroscopic measurements indicated that the SEPI coating offered better protection against corrosion than the EPI coating did.

  2. On Advanced Estimation Techniques for Exoplanet Detection and Characterization using Ground-Based Coronagraphs

    NASA Technical Reports Server (NTRS)

    Lawson, Peter R.; Frazin, Richard; Barrett, Harrison; Caucci, Luca; Devaney, Nicholas; Furenlid, Lars; Gladysz, Szymon; Guyon, Olivier; Krist, John; Maire, Jerome; Marois, Christian; Mawet, Dimitri; Mouillet, David; Mugnier, Laurent; Perrin, Marshall; Poyneer, Lisa; Pueyo, Laurent; Savransky, Dmitry; Soummer, Remi

    2012-01-01

    The direct imaging of planets around nearby stars is exceedingly difficult. Only about 14 exoplanets have been imaged to date that have masses less than 13 times that of Jupiter. The next generation of planet-finding coronagraphs, including VLT-SPHERE, the Gemini Planet Imager, Palomar P1640, and Subaru HiCIAO have predicted contrast performance of roughly a thousand times less than would be needed to detect Earth-like planets. In this paper we review the state of the art in exoplanet imaging, most notably the method of Locally Optimized Combination of Images (LOCI), and we investigate the potential of improving the detectability of faint exoplanets through the use of advanced statistical methods based on the concepts of the ideal observer and the Hotelling observer. We provide a formal comparison of techniques through a blind data challenge and evaluate performance using the Receiver Operating Characteristic (ROC) and Localization ROC (LROC) curves. We place particular emphasis on the understanding and modeling of realistic sources of measurement noise in ground-based AO-corrected coronagraphs. The work reported in this paper is the result of interactions between the co-authors during a week-long workshop on exoplanet imaging that was held in Squaw Valley, California, in March of 2012.

  3. On Advanced Estimation Techniques for Exoplanet Detection and Characterization using Ground-based Coronagraphs

    NASA Technical Reports Server (NTRS)

    Lawson, Peter; Frazin, Richard

    2012-01-01

    The direct imaging of planets around nearby stars is exceedingly difficult. Only about 14 exoplanets have been imaged to date that have masses less than 13 times that of Jupiter. The next generation of planet-finding coronagraphs, including VLT-SPHERE, the Gemini Planet Imager, Palomar P1640, and Subaru HiCIAO have predicted contrast performance of roughly a thousand times less than would be needed to detect Earth-like planets. In this paper we review the state of the art in exoplanet imaging, most notably the method of Locally Optimized Combination of Images (LOCI), and we investigate the potential of improving the detectability of faint exoplanets through the use of advanced statistical methods based on the concepts of the ideal observer and the Hotelling observer. We propose a formal comparison of techniques using a blind data challenge with an evaluation of performance using the Receiver Operating Characteristic (ROC) and Localization ROC (LROC) curves. We place particular emphasis on the understanding and modeling of realistic sources of measurement noise in ground-based AO-corrected coronagraphs. The work reported in this paper is the result of interactions between the co-authors during a week-long workshop on exoplanet imaging that was held in Squaw Valley, California, in March of 2012

  4. On advanced estimation techniques for exoplanet detection and characterization using ground-based coronagraphs

    NASA Astrophysics Data System (ADS)

    Lawson, Peter R.; Poyneer, Lisa; Barrett, Harrison; Frazin, Richard; Caucci, Luca; Devaney, Nicholas; Furenlid, Lars; Gładysz, Szymon; Guyon, Olivier; Krist, John; Maire, Jérôme; Marois, Christian; Mawet, Dimitri; Mouillet, David; Mugnier, Laurent; Pearson, Iain; Perrin, Marshall; Pueyo, Laurent; Savransky, Dmitry

    2012-07-01

    The direct imaging of planets around nearby stars is exceedingly difficult. Only about 14 exoplanets have been imaged to date that have masses less than 13 times that of Jupiter. The next generation of planet-finding coronagraphs, including VLT-SPHERE, the Gemini Planet Imager, Palomar P1640, and Subaru HiCIAO have predicted contrast performance of roughly a thousand times less than would be needed to detect Earth-like planets. In this paper we review the state of the art in exoplanet imaging, most notably the method of Locally Optimized Combination of Images (LOCI), and we investigate the potential of improving the detectability of faint exoplanets through the use of advanced statistical methods based on the concepts of the ideal observer and the Hotelling observer. We propose a formal comparison of techniques using a blind data challenge with an evaluation of performance using the Receiver Operating Characteristic (ROC) and Localization ROC (LROC) curves. We place particular emphasis on the understanding and modeling of realistic sources of measurement noise in ground-based AO-corrected coronagraphs. The work reported in this paper is the result of interactions between the co-authors during a week-long workshop on exoplanet imaging that was held in Squaw Valley, California, in March of 2012.

  5. Recent Advance in Liquid Chromatography/Mass Spectrometry Techniques for Environmental Analysis in Japan

    PubMed Central

    Suzuki, Shigeru

    2014-01-01

    The techniques and measurement methods developed in the Environmental Survey and Monitoring of Chemicals by Japan’s Ministry of the Environment, as well as a large amount of knowledge archived in the survey, have led to the advancement of environmental analysis. Recently, technologies such as non-target liquid chromatography/high resolution mass spectrometry and liquid chromatography with micro bore column have further developed the field. Here, the general strategy of a method developed for the liquid chromatography/mass spectrometry (LC/MS) analysis of environmental chemicals with a brief description is presented. Also, a non-target analysis for the identification of environmental pollutants using a provisional fragment database and “MsMsFilter,” an elemental composition elucidation tool, is presented. This analytical method is shown to be highly effective in the identification of a model chemical, the pesticide Bendiocarb. Our improved micro-liquid chromatography injection system showed substantially enhanced sensitivity to perfluoroalkyl substances, with peak areas 32–71 times larger than those observed in conventional LC/MS. PMID:26819891

  6. Protein structure determination with paramagnetic solid-state NMR spectroscopy.

    PubMed

    Sengupta, Ishita; Nadaud, Philippe S; Jaroniec, Christopher P

    2013-09-17

    Many structures of the proteins and protein assemblies that play central roles in fundamental biological processes and disease pathogenesis are not readily accessible via the conventional techniques of single-crystal X-ray diffraction and solution-state nuclear magnetic resonance (NMR). On the other hand, many of these challenging biological systems are suitable targets for atomic-level structural and dynamic analysis by magic-angle spinning (MAS) solid-state NMR spectroscopy, a technique that has far less stringent limitations on the molecular size and crystalline state. Over the past decade, major advances in instrumentation and methodology have prompted rapid growth in the field of biological solid-state NMR. However, despite this progress, one challenge for the elucidation of three-dimensional (3D) protein structures via conventional MAS NMR methods is the relative lack of long-distance data. Specifically, extracting unambiguous interatomic distance restraints larger than ∼5 Å from through-space magnetic dipole-dipole couplings among the protein (1)H, (13)C, and (15)N nuclei has proven to be a considerable challenge for researchers. It is possible to circumvent this problem by extending the structural studies to include several analogs of the protein of interest, intentionally modified to contain covalently attached paramagnetic tags at selected sites. In these paramagnetic proteins, the hyperfine couplings between the nuclei and unpaired electrons can manifest themselves in NMR spectra in the form of relaxation enhancements of the nuclear spins that depend on the electron-nucleus distance. These effects can be significant for nuclei located up to ∼20 Å away from the paramagnetic center. In this Account, we discuss MAS NMR structural studies of nitroxide and EDTA-Cu(2+) labeled variants of a model 56 amino acid globular protein, B1 immunoglobulin-binding domain of protein G (GB1), in the microcrystalline solid phase. We used a set of six EDTA-Cu(2

  7. The development of optical microscopy techniques for the advancement of single-particle studies

    SciTech Connect

    Marchuk, Kyle

    2013-05-15

    Single particle orientation and rotational tracking (SPORT) has recently become a powerful optical microscopy tool that can expose many molecular motions. Unfortunately, there is not yet a single microscopy technique that can decipher all particle motions in all environmental conditions, thus there are limitations to current technologies. Within, the two powerful microscopy tools of total internal reflection and interferometry are advanced to determine the position, orientation, and optical properties of metallic nanoparticles in a variety of environments. Total internal reflection is an optical phenomenon that has been applied to microscopy to produce either fluorescent or scattered light. The non-invasive far-field imaging technique is coupled with a near-field illumination scheme that allows for better axial resolution than confocal microscopy and epi-fluorescence microscopy. By controlling the incident illumination angle using total internal reflection fluorescence (TIRF) microscopy, a new type of imaging probe called “non-blinking” quantum dots (NBQDs) were super-localized in the axial direction to sub-10-nm precision. These particles were also used to study the rotational motion of microtubules being propelled by the motor protein kinesin across the substrate surface. The same instrument was modified to function under total internal reflection scattering (TIRS) microscopy to study metallic anisotropic nanoparticles and their dynamic interactions with synthetic lipid bilayers. Utilizing two illumination lasers with opposite polarization directions at wavelengths corresponding to the short and long axis surface plasmon resonance (SPR) of the nanoparticles, both the in-plane and out-of-plane movements of many particles could be tracked simultaneously. When combined with Gaussian point spread function (PSF) fitting for particle super-localization, the binding status and rotational movement could be resolved without degeneracy. TIRS microscopy was also used to

  8. APPLICATION OF ADVANCED IN VITRO TECHNIQUES TO MEASURE, UNDERSTAND AND PREDICT THE KINETICS AND MECHANISMS OF XENOBIOTIC METABOLISM

    EPA Science Inventory

    We have developed a research program in metabolism that involves numerous collaborators across EPA as well as other federal and academic labs. A primary goal is to develop and apply advanced in vitro techniques to measure, understand and predict the kinetics and mechanisms of xen...

  9. Identification of humic-like substances (HULIS) in oxygenated organic aerosols using NMR and AMS factor analyses and liquid chromatographic techniques

    NASA Astrophysics Data System (ADS)

    Paglione, M.; Kiendler-Scharr, A.; Mensah, A. A.; Finessi, E.; Giulianelli, L.; Sandrini, S.; Facchini, M. C.; Fuzzi, S.; Schlag, P.; Piazzalunga, A.; Tagliavini, E.; Henzing, J. S.; Decesari, S.

    2014-01-01

    The atmospheric organic aerosol composition is characterized by a great diversity of functional groups and chemical species, challenging simple classification schemes. Traditional offline chemical methods identify chemical classes based on the retention behaviour on chromatographic columns and absorbing beds. Such an approach led to the isolation of complex mixtures of compounds such as the humic-like substances (HULIS). More recently, online aerosol mass spectrometry (AMS) was employed to identify chemical classes by extracting fragmentation patterns from experimental data series using statistical methods (factor analysis), providing simplified schemes for the classification of oxygenated organic aerosols (OOAs) on the basis of the distribution of oxygen-containing functionalities. The analysis of numerous AMS data sets suggested the occurrence of very oxidized OOAs which were postulated to correspond to HULIS. However, only a few efforts were made to test the correspondence of the AMS classes of OOAs with the traditional classifications from the offline methods. In this paper, we consider a case study representative of polluted continental regional background environments. We examine the AMS factors for OOAs identified by positive matrix factorization (PMF) and compare them to chemical classes of water-soluble organic carbon (WSOC) analysed offline on a set of filters collected in parallel. WSOC fractionation was performed by means of factor analysis applied to proton nuclear magnetic resonance (NMR) spectroscopic data, and by applying an ion-exchange chromatographic method for direct quantification of HULIS. Results show that the very oxidized low-volatility OOAs from AMS correlate with the NMR factor showing HULIS features and also with true "chromatographic" HULIS. On the other hand, UV/VIS-absorbing polyacids (or HULIS {sensu stricto}) isolated on ion-exchange beds were only a fraction of the AMS and NMR organic carbon fractions showing functional groups

  10. Identification of humic-like substances (HULIS) in oxygenated organic aerosols using NMR and AMS factor analyses and liquid chromatographic techniques

    NASA Astrophysics Data System (ADS)

    Paglione, M.; Kiendler-Scharr, A.; Mensah, A. A.; Finessi, E.; Giulianelli, L.; Sandrini, S.; Facchini, M. C.; Fuzzi, S.; Schlag, P.; Piazzalunga, A.; Tagliavini, E.; Henzing, J. S.; Decesari, S.

    2013-06-01

    The atmospheric organic aerosol composition is characterized by a great diversity of functional groups and chemical species challenging simple classification schemes. Traditional off-line chemical methods identified chemical classes based on the retention behavior on chromatographic columns and absorbing beds. Such approach led to the isolation of complex mixtures of compounds such as the humic-like substances (HULIS). More recently, on-line aerosol mass spectrometry (AMS) was employed to identify chemical classes by extracting fragmentation patterns from experimental data series using statistical methods (factor analysis), providing simplified schemes for oxygenated organic aerosols (OOAs) classification on the basis of the distribution of oxygen-containing functionalities. The analysis of numerous AMS datasets suggested the occurrence of very oxidized OOAs which were postulated to correspond to the HULIS. However, only a few efforts were made to test the correspondence of the AMS classes of OOAs with the traditional classification from the off-line methods. In this paper, we consider a case study representative for polluted continental regional background environments. We examine the AMS factors for OOAs identified by positive matrix factorization (PMF) and compare to chemical classes of water-soluble organic carbon (WSOC) analysed off-line on a set of filters collected in parallel. WSOC fractionation was performed by means of factor analysis applied to H-NMR spectroscopic data, and by applying an ion-exchange chromatographic method for direct quantification of HULIS. Results show that the very oxidized low-volatility OOAs from AMS correlate with the NMR factor showing HULIS features and also with true "chromatographic" HULIS. On the other hand, UV/VIS-absorbing polyacids (or HULIS sensu stricto) isolated on ion-exchange beds were only a fraction of the AMS and NMR organic carbon fractions showing functional groups attributable to highly substituted carboxylic

  11. A Hybrid Solid‐State NMR and Electron Microscopy Structure‐Determination Protocol for Engineering Advanced para‐Crystalline Optical Materials

    PubMed Central

    Thomas, Brijith; Rombouts, Jeroen; Oostergetel, Gert T.; Gupta, Karthick B. S. S.; Buda, Francesco; Lammertsma, Koop; Orru, Romano

    2017-01-01

    Abstract Hybrid magic‐angle spinning (MAS) NMR spectroscopy and TEM were demonstrated for de novo structure determination of para‐crystalline materials with a bioinspired fused naphthalene diimide (NDI)–salphen–phenazine prototype light‐harvesting compound. Starting from chiral building blocks with C 2 molecular symmetry, the asymmetric unit was determined by MAS NMR spectroscopy, index low‐resolution TEM diffraction data, and resolve reflection conditions, and for the first time the ability to determine the space group from reciprocal space data using this hybrid approach was shown. Transfer of molecular C 2 symmetry into P2/c packing symmetry provided a connection across length scales to overcome both lack of long‐range order and missing diffraction‐phase information. Refinement with heteronuclear distance constraints confirmed the racemic P2/c packing that was scaffolded by molecular recognition of salphen zinc in a pseudo‐octahedral environment with bromide and with alkyl chains folding along the phenazine. The NDI light‐harvesting stacks ran orthogonal to the intermolecular electric dipole moment present in the solid. Finally, the orientation of flexible lamellae on an electrode surface was determined. PMID:28117921

  12. A Hybrid Solid-State NMR and Electron Microscopy Structure-Determination Protocol for Engineering Advanced para-Crystalline Optical Materials.

    PubMed

    Thomas, Brijith; Rombouts, Jeroen; Oostergetel, Gert T; Gupta, Karthick B S S; Buda, Francesco; Lammertsma, Koop; Orru, Romano; de Groot, Huub J M

    2017-01-24

    Hybrid magic-angle spinning (MAS) NMR spectroscopy and TEM were demonstrated for de novo structure determination of para-crystalline materials with a bioinspired fused naphthalene diimide (NDI)-salphen-phenazine prototype light-harvesting compound. Starting from chiral building blocks with C2 molecular symmetry, the asymmetric unit was determined by MAS NMR spectroscopy, index low-resolution TEM diffraction data, and resolve reflection conditions, and for the first time the ability to determine the space group from reciprocal space data using this hybrid approach was shown. Transfer of molecular C2 symmetry into P2/c packing symmetry provided a connection across length scales to overcome both lack of long-range order and missing diffraction-phase information. Refinement with heteronuclear distance constraints confirmed the racemic P2/c packing that was scaffolded by molecular recognition of salphen zinc in a pseudo-octahedral environment with bromide and with alkyl chains folding along the phenazine. The NDI light-harvesting stacks ran orthogonal to the intermolecular electric dipole moment present in the solid. Finally, the orientation of flexible lamellae on an electrode surface was determined.

  13. Landslide detection and long-term monitoring in urban area by means of advanced interferometric techniques

    NASA Astrophysics Data System (ADS)

    Cigna, Francesca; Del Ventisette, Chiara; Liguori, Vincenzo; Casagli, Nicola

    2010-05-01

    This work aims at illustrating the potential of advanced interferometric techniques for detection and long-term monitoring of landslide ground deformations at local scale. Space-born InSAR (Synthetic Aperture Radar Interferometry) has been successfully exploited in recent years to measure ground deformations associated to processes with slow kinematics, such as landslides, tectonic motions, subsidence or volcanic activity, thanks to both the standard single-interferogram approach (centimeter accuracy) and advanced time-series analyses of long temporal radar satellite data stacks (millimeter accuracy), such as Persistent Scatterers Interferometry (PSI) techniques. In order to get a complete overview and an in-depth knowledge of an investigated landslide, InSAR satellite measures can support conventional in situ data. This methodology allows studying the spatial pattern and the temporal evolution of ground deformations, improving the spatial coverage and overcoming issues related to installation of ground-based instrumentation and data acquisition in unstable areas. Here we describe the application of the above-mentioned methodology on the test area of Agrigento, Sicily (Italy), affected by hydrogeological risk. The town is located in Southern Sicily, at edge of the Apennine-Maghrebian thrust belt, on the Plio-Pleistocene and Miocene sediments of the Gela Nappe. Ground instabilities affect the urban area and involve the infrastructures of its NW side, such as the Cathedral, the Seminary and many private buildings. An integration between InSAR analyses and conventional field investigations (e.g. structural damages and fractures surveys) was therefore carried out, to support Regional Civil Protection authorities for emergency management and risk mitigation. The results of InSAR analysis highlighted a general stability of the whole urban area between 1992 and 2007. However, very high deformation rates (up to 10-12 mm/y) were identified in 1992-2000 in the W slope of the

  14. MicroRNA changes in advanced radiotherapy techniques and its effect to secondary cancers.

    PubMed

    Sert, Fatma

    2012-09-01

    MicroRNAs (miRNAs) are a kind of RNA, produced copies of endogenous hairpin-shaped, are 21-25 nucleotide length, small, and single chain. Recent studies have revealed that hundreds of miRNAs are found in the human genome and are responsible for diverse cellular processes including the control of developmental timing, cell proliferation, apoptosis and tumorigenesis. miRNAs can activate the initiation of apoptosis, cessation of the cell cycle and aging in case of DNA damage by stimulating the tumor suppressor target gene p53 directly and indirectly. DNA damage is composed by multiple stress factors including ionizing radiation, reactive oxygen species, UV exposure and drugs like doxorubicin and camptothecin. Radiation is used widely in health, academic area, and industry for producing electricity. As a result of using radiation widely in different fields, environmental radiation exposure is increasing as well. Whereas high dose radiation exposure causes DNA damage and gives rise to ionization to molecules of living cells by accelerating malignant tumor formation. Fields receiving high dose radiation are evaluated in terms of adverse effects, therapeutic efficacy and secondary malignancies in radiotherapy applications. Dose distributions are re-created when it is required. On the other hand, fields received low dose and the doses that the patient is exposure in simulation and/or portal imaging are often overlooked. The changes in miRNA levels arising in low dose radiation field and its effect to neoplastic process in cell will be pathfinder in terms of secondary cancers or second primary cancers. It is shown that there are differences between the level changes of miRNA in low dose fields which are overlooked in daily practical applications because of not resulting with acute or chronic side effect and the level changes of miRNA in high dose fields. With the help of verifying so-called differences in low dose fields which are seen in advanced radiation techniques

  15. Analysis of Volatile Compounds by Advanced Analytical Techniques and Multivariate Chemometrics.

    PubMed

    Lubes, Giuseppe; Goodarzi, Mohammad

    2017-03-17

    Smelling is one of the five senses, which plays an important role in our everyday lives. Volatile compounds are, for example, characteristics of food where some of them can be perceivable by humans because of their aroma. They have a great influence on the decision making of consumers when they choose to use a product or not. In the case where a product has an offensive and strong aroma, many consumers might not appreciate it. On the contrary, soft and fresh natural aromas definitely increase the acceptance of a given product. These properties can drastically influence the economy; thus, it has been of great importance to manufacturers that the aroma of their food product is characterized by analytical means to provide a basis for further optimization processes. A lot of research has been devoted to this domain in order to link the quality of, e.g., a food to its aroma. By knowing the aromatic profile of a food, one can understand the nature of a given product leading to developing new products, which are more acceptable by consumers. There are two ways to analyze volatiles: one is to use human senses and/or sensory instruments, and the other is based on advanced analytical techniques. This work focuses on the latter. Although requirements are simple, low-cost technology is an attractive research target in this domain; most of the data are generated with very high-resolution analytical instruments. Such data gathered based on different analytical instruments normally have broad, overlapping sensitivity profiles and require substantial data analysis. In this review, we have addressed not only the question of the application of chemometrics for aroma analysis but also of the use of different analytical instruments in this field, highlighting the research needed for future focus.

  16. Advanced Multivariate Inversion Techniques for High Resolution 3D Geophysical Modeling (Invited)

    NASA Astrophysics Data System (ADS)

    Maceira, M.; Zhang, H.; Rowe, C. A.

    2009-12-01

    We focus on the development and application of advanced multivariate inversion techniques to generate a realistic, comprehensive, and high-resolution 3D model of the seismic structure of the crust and upper mantle that satisfies several independent geophysical datasets. Building on previous efforts of joint invesion using surface wave dispersion measurements, gravity data, and receiver functions, we have added a fourth dataset, seismic body wave P and S travel times, to the simultaneous joint inversion method. We present a 3D seismic velocity model of the crust and upper mantle of northwest China resulting from the simultaneous, joint inversion of these four data types. Surface wave dispersion measurements are primarily sensitive to seismic shear-wave velocities, but at shallow depths it is difficult to obtain high-resolution velocities and to constrain the structure due to the depth-averaging of the more easily-modeled, longer-period surface waves. Gravity inversions have the greatest resolving power at shallow depths, and they provide constraints on rock density variations. Moreover, while surface wave dispersion measurements are primarily sensitive to vertical shear-wave velocity averages, body wave receiver functions are sensitive to shear-wave velocity contrasts and vertical travel-times. Addition of the fourth dataset, consisting of seismic travel-time data, helps to constrain the shear wave velocities both vertically and horizontally in the model cells crossed by the ray paths. Incorporation of both P and S body wave travel times allows us to invert for both P and S velocity structure, capitalizing on empirical relationships between both wave types’ seismic velocities with rock densities, thus eliminating the need for ad hoc assumptions regarding the Poisson ratios. Our new tomography algorithm is a modification of the Maceira and Ammon joint inversion code, in combination with the Zhang and Thurber TomoDD (double-difference tomography) program.

  17. Determination of perfluorinated surfactants in surface water samples by two independent analytical techniques: liquid chromatography/tandem mass spectrometry and 19F NMR.

    PubMed

    Moody, C A; Kwan, W C; Martin, J W; Muir, D C; Mabury, S A

    2001-05-15

    Perfluorinated surfactants are an important class of specialty chemicals that have received recent attention as a result of their persistence in the environment. Two analytical methods for the determination of perfluorinated surfactants in aqueous samples were developed in order to investigate a spill of 22000 L of fire retardant foam containing perfluorinated surfactants into Etobicoke Creek (Toronto, Ontario). With the first method, aliquots of surface water (0.2-200 mL) were preconcentrated using solid-phase extraction. Liquid chromatography/tandem mass spectrometry was employed for identification and quantification of each perfluorinated surfactant. Total perfluorinated surfactant concentrations in surface water samples ranged from 0.011 to 2270 microg/L, and perfluorooctanesulfonate was the predominant surfactant observed. Interestingly, perfluorooctanoate was detected in surface water sampled upstream of the spill. A second method employing 19F NMR was developed for the determination of total perfluorinated surfactant concentrations in aqueous samples (2-100 mL). By 19F NMR, the surface water concentrations ranged from nondetect (method detection limit, 10 microg/L for a 100-mL sample) to 17000 microg/L. These methods permit comprehensive evaluation of aqueous samples for the presence of perfluorinated surfactants and have applicability to other sample matrixes.

  18. Report on the analysis of common beverages spiked with gamma-hydroxybutyric acid (GHB) and gamma-butyrolactone (GBL) using NMR and the PURGE solvent-suppression technique.

    PubMed

    Lesar, Casey T; Decatur, John; Lukasiewicz, Elaan; Champeil, Elise

    2011-10-10

    In forensic evidence, the identification and quantitation of gamma-hydroxybutyric acid (GHB) in "spiked" beverages is challenging. In this report, we present the analysis of common alcoholic beverages found in clubs and bars spiked with gamma-hydroxybutyric acid (GHB) and gamma-butyrolactone (GBL). Our analysis of the spiked beverages consisted of using (1)H NMR with a water suppression method called Presaturation Utilizing Relaxation Gradients and Echoes (PURGE). The following beverages were analyzed: water, 10% ethanol in water, vodka-cranberry juice, rum and coke, gin and tonic, whisky and diet coke, white wine, red wine, and beer. The PURGE method allowed for the direct identification and quantitation of both compounds in all beverages except red and white wine where small interferences prevented accurate quantitation. The NMR method presented in this paper utilizes PURGE water suppression. Thanks to the use of a capillary internal standard, the method is fast, non-destructive, sensitive and requires no sample preparation which could disrupt the equilibrium between GHB and GBL.

  19. The dynamic duo: Combining NMR and small angle scattering in structural biology

    PubMed Central

    Hennig, Janosch; Sattler, Michael

    2014-01-01

    Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods, and computational approaches now enable structural analysis of protein complexes with increasing complexity that more closely represent biologically entities in the cellular environment. Integrated multidisciplinary approaches are required to overcome limitations of individual methods and take advantage of complementary aspects provided by different structural biology techniques. Although X-ray crystallography remains the method of choice for structural analysis of large complexes, crystallization of flexible systems is often difficult and does typically not provide insights into conformational dynamics present in solution. Nuclear magnetic resonance spectroscopy (NMR) is well-suited to study dynamics at picosecond to second time scales, and to map binding interfaces even of large systems at residue resolution but suffers from poor sensitivity with increasing molecular weight. Small angle scattering (SAS) methods provide low resolution information in solution and can characterize dynamics and conformational equilibria complementary to crystallography and NMR. The combination of NMR, crystallography, and SAS is, thus, very useful for analysis of the structure and conformational dynamics of (large) protein complexes in solution. In high molecular weight systems, where NMR data are often sparse, SAS provides additional structural information and can differentiate between NMR-derived models. Scattering data can also validate the solution conformation of a crystal structure and indicate the presence of conformational equilibria. Here, we review current state-of-the-art approaches for combining NMR, crystallography, and SAS data to characterize protein complexes in solution. PMID:24687405

  20. Advanced Sensing and Control Techniques to Facilitate Semi-Autonomous Decommissioning

    SciTech Connect

    Schalkoff, Robert J.

    1999-06-01

    This research is intended to advance the technology of semi-autonomous teleoperated robotics as applied to Decontamination and Decommissioning (D&D) tasks. Specifically, research leading to a prototype dual-manipulator mobile work cell is underway. This cell is supported and enhanced by computer vision, virtual reality and advanced robotics technology.

  1. Applications of Diffusion Ordered Spectroscopy (DOSY-NMR)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Diffusion-ordered NMR (DOSY-NMR) is a powerful, but under-utilized, technique for the investigation of mixtures based on translational diffusion rates. DOSY spectra allow for determination by NMR of components that may differ in molecular weight, geometry or complexation. Typical applications coul...

  2. Application of Spectroscopic Techniques (FT-IR, 13C NMR) to the analysis of humic substances in volcanic soils along an environmental gradient (Tenerife, Canary Islands, Spain)

    NASA Astrophysics Data System (ADS)

    Rodriguez Rodriguez, Antonio; María Armas Herrera, Cecilia; González Pérez, José Antonio; González-Vila, Francisco Javier; Arbelo Rodríguez, Carmen Dolores; Mora Hernández, Juan Luis; Polvillo Polo, Oliva

    2010-05-01

    Andosols and andic soils are considered as efficient C-sinks in terms of C sequestration. These soils are usually developed from volcanic materials, and are characterized by a predominance of short-range ordered minerals like allophanes, imogolite and other Fe and Al oxyhydroxides. Such materials occur commonly associated with organic compounds, thus generating highly stable organo-mineral complexes and leading to the accumulation of a high amount of organic carbon. Spectroscopic methods like FT-IR and 13C NMR are suitable for the analysis of the chemical structure of soil humic substances, and allow identifying distinct functional groups and protein, lipids, lignin, carbohydrate-derived fragments. In this work we study the structural features of four soils developed on Pleistocene basaltic lavae in Tenerife (Canary Island, Spain), distributed along an altitudinal climatic gradient. The soil sequence comprises soils with different degree of geochemical evolution and andic character, including a mineral ‘Hypersalic Solonchak' (Tabaibal de Rasca), a slightly vitric ‘Luvic Phaeozem' (Los Frailes), a degraded and shallow ‘Endoleptic, fulvic, silandic Andosol' (Siete Lomas), and a well-developed and deep ‘Fulvic, silandic, Andosol' (Ravelo). Samples of the raw soil and humic and fulvic acids isolated from the surface horizons were analyzed. The results show a low content of organic carbon in the mineral soil, the inherited humin predominating, and a very high content of humic and fulvic acids in Andosols. The FT-IR and 13C NMR spectra of the raw soil samples show a low resolution, related to interferences from mineral complexes signals, particularly in soils with lower organic carbon content. 13C NMR shows a predominance of O-alkyl carbon (derived of carbohydrates) in andic soils, whereas O-alkyl and aromatic fractions are most evident in the mineral soil. The humic acids spectra are characterized by a dominance of alkyl and aromatic fractions with a high degree

  3. An advanced technique for speciation of organic nitrogen in atmospheric aerosols

    NASA Astrophysics Data System (ADS)

    Samy, S.; Robinson, J.; Hays, M. D.

    2011-12-01

    threshold as water-soluble free AA, with an average concentration of 22 ± 9 ng m-3 (N=13). Following microwave-assisted gas phase hydrolysis, the total AA concentration in the forest environment increased significantly (70 ± 35 ng m-3) and additional compounds (methionine, isoleucine) were detected above the reporting threshold. The ability to quantify AA in aerosol samples without derivatization reduces time consuming preparation procedures while providing the advancement of selective mass determination that eliminates potential interferences associated with traditional fluorescence detection. This step forward in precise mass determination with the use of internal standardization, improves the confidence of compound identification. With the increasing focus on WSOC (including ON) characterization in the atmospheric science community, native detection by LC-MS (Q-TOF) will play a central role in determining the most direct approach to quantify an increasing fraction of the co-extracted polar organic compounds. Method application for further characterization of atmospheric ON will be discussed. Reference: Samy, S., Robinson, J., and M.D. Hays. "An Advanced LC-MS (Q-TOF) Technique for the Detection of Amino Acids in Atmospheric Aerosols", Analytical Bioanalytical Chemistry, 2011, DOI: 10.1007/s00216-011-5238-2

  4. NMR studies of multiphase flows II

    SciTech Connect

    Altobelli, S.A.; Caprihan, A.; Fukushima, E.

    1995-12-31

    NMR techniques for measurements of spatial distribution of material phase, velocity and velocity fluctuation are being developed and refined. Versions of these techniques which provide time average liquid fraction and fluid phase velocity have been applied to several concentrated suspension systems which will not be discussed extensively here. Technical developments required to further extend the use of NMR to the multi-phase flow arena and to provide measurements of previously unobtainable parameters are the focus of this report.

  5. Trace Level Detection of Chemical Weapons Convention Compounds by Two-Dimensional C13-NMR Spectroscopy using a Cryogenic Probehead and H1-Detection Techniques

    DTIC Science & Technology

    2009-10-01

    NMR spectroscopy was conducted at 11.75 T with an Avance DRX 500 spectrometer (Bruker Biospin Corp., Billerica, MA), using a 5 mm TCI probehead...exponential window function with a 0.1 Hz line-broadening factor before Fourier transformation (FT) into spectra and manual phase correction into...1.5 1.0 I II NOI. Bill S-CII. IJL (II -— r ^—•—• ’ ’ —i—•—~—’ i ’ ~~— • • • 3.5 3.0 2.5 2.0 1.5 1.0 (II I N-CH; (II S-CII- JUL

  6. Techniques Optimized for Reducing Instabilities in Advanced Nickel-Base Superalloys for Turbine Blades

    NASA Technical Reports Server (NTRS)

    MacKay, Rebecca A.; Locci, Ivan E.; Garg, anita; Ritzert, Frank J.

    2002-01-01

    is a three-phase constituent composed of TCP and stringers of gamma phase in a matrix of gamma prime. An incoherent grain boundary separates the SRZ from the gammagamma prime microstructure of the superalloy. The SRZ is believed to form as a result of local chemistry changes in the superalloy due to the application of the diffusion aluminide bondcoat. Locally high surface stresses also appear to promote the formation of the SRZ. Thus, techniques that change the local alloy chemistry or reduce surface stresses have been examined for their effectiveness in reducing SRZ. These SRZ-reduction steps are performed on the test specimen or the turbine blade before the bondcoat is applied. Stressrelief heat treatments developed at NASA Glenn have been demonstrated to reduce significantly the amount of SRZ that develops during subsequent high-temperature exposures. Stress-relief heat treatments reduce surface stresses by recrystallizing a thin surface layer of the superalloy. However, in alloys with very high propensities to form SRZ, stress relief heat treatments alone do not eliminate SRZ entirely. Thus, techniques that modify the local chemistry under the bondcoat have been emphasized and optimized successfully at Glenn. One such technique is carburization, which changes the local chemistry by forming submicron carbides near the surface of the superalloy. Detailed characterizations have demonstrated that the depth and uniform distribution of these carbides are enhanced when a stress relief treatment and an appropriate surface preparation are employed in advance of the carburization treatment. Even in alloys that have the propensity to develop a continuous SRZ layer beneath the diffusion zone, the SRZ has been completely eliminated or reduced to low, manageable levels when this combination of techniques is utilized. Now that the techniques to mitigate SRZ have been established at Glenn, TCP phase formation is being emphasized in ongoing work under the UEET Program. The

  7. A spectroscopic study of nicotine analogue 2-phenylpyrrolidine (PPD) using resonant two-photon ionization (R2PI), microwave, and 2D NMR techniques.

    PubMed

    Martin, Danielle E; Robertson, Evan G; MacLellan, Jonathan G; Godfrey, Peter D; Thompson, Christopher D; Morrison, Richard J S

    2009-02-25

    Conformational preferences of the nicotine analogue 2-phenylpyrrolidine (PPD) have been studied in both gaseous and solution phases. Theoretical calculations at the MP2 and B3LYP levels point to 5-6 stable conformers which differ in three degrees of conformational freedom; torsion between the two rings, inversion at the pyrrolidine (PY) amine, and PY ring puckering, characterized using the Cremer-Pople definition for pseudorotation. Only one conformer has a trans arrangement between the amino hydrogen and the phenyl substituent. It is 6-8 kJ mol(-1) more stable than the cis conformers, has a perpendicular ring arrangement, and puckers at the nitrogen atom--similar to structures reported for nicotine. Resonant two-photon ionization (R2PI) data, including hole burn spectra, indicate only one conformer is present in the free jet expansion, and band contour analysis suggests assignment to the trans conformer. Confirmation was provided by microwave spectroscopy. Fifty-seven lines measured in the 48-72 GHz region were assigned to 206 b-type transitions and fitted to yield rotational constants within 2 MHz of MP2 values predicted for the trans conformer. The solution-phase conformers of PPD were studied using 1D and 2D (1)H NMR spectroscopy and solvent-based theoretical calculations. In marked contrast to the gas phase, NMR data reveals only cis conformers present in solution. Calculations confirm increased stability for these conformers when placed in simulated chloroform or water environments. Solvent molecules are believed to disrupt a crucial N...H(ortho) stabilizing interaction present within the trans conformer.

  8. Investigation of Advanced Dose Verification Techniques for External Beam Radiation Treatment

    NASA Astrophysics Data System (ADS)

    Asuni, Ganiyu Adeniyi

    Intensity modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT) have been introduced in radiation therapy to achieve highly conformal dose distributions around the tumour while minimizing dose to surrounding normal tissues. These techniques have increased the need for comprehensive quality assurance tests, to verify that customized patient treatment plans are accurately delivered during treatment. in vivo dose verification, performed during treatment delivery, confirms that the actual dose delivered is the same as the prescribed dose, helping to reduce treatment delivery errors. in vivo measurements may be accomplished using entrance or exit detectors. The objective of this project is to investigate a novel entrance detector designed for in vivo dose verification. This thesis is separated into three main investigations, focusing on a prototype entrance transmission detector (TRD) developed by IBA Dosimetry, Germany. First contaminant electrons generated by the TRD in a 6 MV photon beam were investigated using Monte Carlo (MC) simulation. This study demonstrates that modification of the contaminant electron model in the treatment planning system is required for accurate patient dose calculation in buildup regions when using the device. Second, the ability of the TRD to accurately measure dose from IMRT and VMAT was investigated by characterising the spatial resolution of the device. This was accomplished by measuring the point spread function with further validation provided by MC simulation. Comparisons of measured and calculated doses show that the spatial resolution of the TRD allows for measurement of clinical IMRT fields within acceptable tolerance. Finally, a new general research tool was developed to perform MC simulations for VMAT and IMRT treatments, simultaneously tracking dose deposition in both the patient CT geometry and an arbitrary planar detector system, generalized to handle either entrance or exit orientations. It was

  9. NMR reaction monitoring in flow synthesis

    PubMed Central

    Gomez, M Victoria

    2017-01-01

    Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed. PMID:28326137

  10. Advanced imaging techniques II: using a compound microscope for photographing point-mount specimens

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Digital imaging technology has revolutionized the practice photographing insects for scientific study. Herein described are lighting and mounting techniques designed for imaging micro Hymenoptera. Techniques described here are applicable to all small insects, as well as other invertebrates. The ke...

  11. New Advanced Fabrication Technique for Millimeter-Wave Planar Components based on Fluororesin Substrates using Graft Polymerization

    NASA Astrophysics Data System (ADS)

    Ito, Naoki; Mase, Atsushi; Kogi, Yuichiro; Seko, Noriaki; Tamada, Masao; Sakata, Eiji

    2008-06-01

    As the importance of advanced millimeter-wave diagnostics increases, a reliable and accurate fabrication technique for high-performance devices and relevant components is essential. We describe a new improved fabrication technique for millimeter-wave planar components, such as antennas using low-loss fluororesin substrates. A fragile adhesion between the copper foil and fluororesin substrate and the accuracy of the device pattern using conventional fabrication techniques have been prime suspects in the failure of the devices. In order to solve these problems, surface treatment of fluororesin films and a fabrication method using electro-fine-forming (EF2) are proposed. The peel adhesion strength between the metal and fluororesin films and the value of the dielectric constant of the fluororesin films before and after grafting are reported. A prototype antenna using conventional fluororesin substrates and grafted-poly(tetrafluoroethylene) (PTFE) films produced using the EF2 fabrication technique are also introduced.

  12. The investigation of advanced remote sensing, radiative transfer and inversion techniques for the measurement of atmospheric constituents

    NASA Technical Reports Server (NTRS)

    Deepak, Adarsh; Wang, Pi-Huan

    1985-01-01

    The research program is documented for developing space and ground-based remote sensing techniques performed during the period from December 15, 1977 to March 15, 1985. The program involved the application of sophisticated radiative transfer codes and inversion methods to various advanced remote sensing concepts for determining atmospheric constituents, particularly aerosols. It covers detailed discussions of the solar aureole technique for monitoring columnar aerosol size distribution, and the multispectral limb scattered radiance and limb attenuated radiance (solar occultation) techniques, as well as the upwelling scattered solar radiance method for determining the aerosol and gaseous characteristics. In addition, analytical models of aerosol size distribution and simulation studies of the limb solar aureole radiance technique and the variability of ozone at high altitudes during satellite sunrise/sunset events are also described in detail.

  13. The impulse resistance welding: A new technique for joining advanced thermoplastic composite parts

    SciTech Connect

    Arias, M.; Ziegmann, G.

    1996-12-31

    Welding is a joining technique suitable for thermoplastic composites. This paper presents the development of a new, fast joining technique, which is based on the common resistance welding process. Heat is introduced by using electrical power pulses into the heating area and therefore this technique was called the Impulse Resistance Welding (IRW). The new technique will be described and discussed and the application of this technique by joining ribs to the skin of an aerodynamic spoiler part is demonstrated. The potential of an automation of the Impulse resistance welding process will be shown. Carbon fibre /PEEK (APC-2/AS4) has been selected as the material both for the skin and the rib.

  14. Solid state NMR methods for coal science. Progress report, October 1, 1983-December 31, 1984

    SciTech Connect

    Zilm, K.W.

    1984-12-01

    This report covers the progress made on the title project during the last quarter. While a good deal of our time has been spent setting up our new NMR laboratory, we have made several significant advances in solid state NMR techniques development that will have important applications in structure determination of coal, coal products and other fossil fuels. We have developed a CP/MAS probe that is routinely capable of producing decoupling fields in excess of 100 KHz without excessive power consumption and that has a very homogeneous frequency field. This piece of equipment has proven crucial to the success of a number of new techniques we are developing. In addition to increasing our sensitivity, the intensity, and homogeneity of the R.F. field, this probe now makes a number of multiple pulse techniques feasible. One avenue has been pursued this quarter is to use multiple pulse decoupling to make 2-D spectroscopy feasible in solids and this has resulted in the first proton-carbon chemical shift correlation spectrum of coal. The homogeneity of the R.F. field has also been helpful in some relaxation studies of coals aimed at an improved understanding of the quantitative aspects of /sup 13/C CP/MAS of coals, i.e., are all the carbons observed. Other techniques being investigated include high field /sup 2/D NMR and /sup 2/D zero field NMR. 8 figures, 1 table.

  15. NMR-Assisted Molecular Docking Methodologies.

    PubMed

    Sturlese, Mattia; Bellanda, Massimo; Moro, Stefano

    2015-08-01

    Nuclear magnetic resonance (NMR) spectroscopy and molecular docking are regularly being employed as helpful tools of drug discovery research. Molecular docking is an extremely rapid method to evaluate possible binders from a large chemical library in a fast and cheap manner. NMR techniques can directly detect a protein-ligand interaction, can determine the corresponding association constant, and can consistently identify the ligand binding cavity. Consequently, molecular docking and NMR techniques are naturally complementary techniques where the combination of the two has the potential to improve the overall efficiency of drug discovery process. In this review, we would like to summarize the state of the art of docking methods which have been recently bridged to NMR experiments to identify novel and effective therapeutic drug candidates.

  16. NMR analysis of biodiesel

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Biodiesel is usually analyzed by the various methods called for in standards such as ASTM D6751 and EN 14214. Nuclear magnetic resonance (NMR) is not one of these methods. However, NMR, with 1H-NMR commonly applied, can be useful in a variety of applications related to biodiesel. These include monit...

  17. [Advancement of colloidal gold chromatographic technique in screening of ochratoxin A].

    PubMed

    Zhou, Wei-lu; Wang, Yu-ting; Kong, Wei-jun; Yang, Mei-hua; Zhao, Ming; Ou-Yang, Zhen

    2015-08-01

    Ochratoxin A (OTA) is a toxic secondary metabolite mainly produced by Aspergillus and Penicillium species, existing in a variety of foodstuffs and Chinese medicines. OTA is difficult to be detected in practice because of the characteristics such as trace amounts, toxicity, existing in complex matrices. In the numerous detection technologies, colloidal gold chromatographic techniques are highly sensitive, specific, cost-effective and user-friendly, and are being used increasingly for OTA screening. Recently, with the development of aptamer technology and its application in chromatographic technique, a newly colloidal gold aptamer chromatographic technique has been developed. This review elaborates the structures and principles of both traditional and newly colloidal gold chromatographic techniques, focuses on newly colloidal gold aptamer chromatographic technique, summarizes and compares their use in rapid detection of OTA. Finally, in order to provide a reference for better research of related work, the development trends of this novel technique are prospected.

  18. Adaptations of advanced safety and reliability techniques to petroleum and other industries

    NASA Technical Reports Server (NTRS)

    Purser, P. E.

    1974-01-01

    The underlying philosophy of the general approach to failure reduction and control is presented. Safety and reliability management techniques developed in the industries which have participated in the U.S. space and defense programs are described along with adaptations to nonaerospace activities. The examples given illustrate the scope of applicability of these techniques. It is indicated that any activity treated as a 'system' is a potential user of aerospace safety and reliability management techniques.

  19. Portable, low-cost NMR with laser-lathe lithography produced microcoils.

    PubMed

    Demas, Vasiliki; Herberg, Julie L; Malba, Vince; Bernhardt, Anthony; Evans, Lee; Harvey, Christopher; Chinn, Sarah C; Maxwell, Robert S; Reimer, Jeffrey

    2007-11-01

    Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or "ex-situ" shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on the use of a 2 kg hand-held permanent magnet, laser-fabricated microcoils, and a compact spectrometer. The main limitations for such a system are the low resolution and sensitivity associated with the low field values and quality of small permanent magnets, as well as the lack of large amounts of sample of interest in most cases. The focus of the paper is on the setting up of this system, initial results, sensitivity measurements, discussion of the limitations and future plans. The results, even though preliminary, are promising and provide the foundation for developing a portable, inexpensive NMR system for chemical analysis. Such a system will be ideal for chemical identification of trace substances on site.

  20. Portable, low-cost NMR with laser-lathe lithography produced microcoils

    NASA Astrophysics Data System (ADS)

    Demas, Vasiliki; Herberg, Julie L.; Malba, Vince; Bernhardt, Anthony; Evans, Lee; Harvey, Christopher; Chinn, Sarah C.; Maxwell, Robert S.; Reimer, Jeffrey

    2007-11-01

    Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5 mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or "ex-situ" shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on the use of a 2 kg hand-held permanent magnet, laser-fabricated microcoils, and a compact spectrometer. The main limitations for such a system are the low resolution and sensitivity associated with the low field values and quality of small permanent magnets, as well as the lack of large amounts of sample of interest in most cases. The focus of the paper is on the setting up of this system, initial results, sensitivity measurements, discussion of the limitations and future plans. The results, even though preliminary, are promising and provide the foundation for developing a portable, inexpensive NMR system for chemical analysis. Such a system will be ideal for chemical identification of trace substances on site.

  1. Challenges and perspectives in quantitative NMR.

    PubMed

    Giraudeau, Patrick

    2017-01-01

    This perspective article summarizes, from the author's point of view at the beginning of 2016, the major challenges and perspectives in the field of quantitative NMR. The key concepts in quantitative NMR are first summarized; then, the most recent evolutions in terms of resolution and sensitivity are discussed, as well as some potential future research directions in this field. A particular focus is made on methodologies capable of boosting the resolution and sensitivity of quantitative NMR, which could open application perspectives in fields where the sample complexity and the analyte concentrations are particularly challenging. These include multi-dimensional quantitative NMR and hyperpolarization techniques such as para-hydrogen-induced polarization or dynamic nuclear polarization. Because quantitative NMR cannot be dissociated from the key concepts of analytical chemistry, i.e. trueness and precision, the methodological developments are systematically described together with their level of analytical performance. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Development of heat transfer enhancement techniques for external cooling of an advanced reactor vessel

    NASA Astrophysics Data System (ADS)

    Yang, Jun

    Nucleate boiling is a well-recognized means for passively removing high heat loads (up to ˜106 W/m2) generated by a molten reactor core under severe accident conditions while maintaining relatively low reactor vessel temperature (<800 °C). With the upgrade and development of advanced power reactors, however, enhancing the nucleate boiling rate and its upper limit, Critical Heat Flux (CHF), becomes the key to the success of external passive cooling of reactor vessel undergoing core disrupture accidents. In the present study, two boiling heat transfer enhancement methods have been proposed, experimentally investigated and theoretically modelled. The first method involves the use of a suitable surface coating to enhance downward-facing boiling rate and CHF limit so as to substantially increase the possibility of reactor vessel surviving high thermal load attack. The second method involves the use of an enhanced vessel/insulation design to facilitate the process of steam venting through the annular channel formed between the reactor vessel and the insulation structure, which in turn would further enhance both the boiling rate and CHF limit. Among the various available surface coating techniques, metallic micro-porous layer surface coating has been identified as an appropriate coating material for use in External Reactor Vessel Cooling (ERVC) based on the overall consideration of enhanced performance, durability, the ease of manufacturing and application. Since no previous research work had explored the feasibility of applying such a metallic micro-porous layer surface coating on a large, downward facing and curved surface such as the bottom head of a reactor vessel, a series of characterization tests and experiments were performed in the present study to determine a suitable coating material composition and application method. Using the optimized metallic micro-porous surface coatings, quenching and steady-state boiling experiments were conducted in the Sub

  3. Application of /sup 13/C NMR, fluorescence, and light-scattering techniques for structural studies of oil-in-water microemulsions

    SciTech Connect

    Tricot, Y.; Kiwi, J.; Niederberger, W.; Graetzel, M.

    1981-04-02

    The nature of the microdroplets present in oil-in-water microemulsions was examined by using the 4-component model system water-hexadecane-sodium hexadecyl sulfate-pentanol. Three compositions were selected corresponding to regions in the pahse diagram where the content of water, cosurfactant, and oil, respectively, approached the tolerable limit to yield clear isotropic solutions. In the water-side microemulsion, the radius of the droplets is 127A as determined from quasi-elastic light-scattering measurements. Fluorescence experiments showed that the core of the microspheres has a microviscosity similar to hexadecane at room temperature. /sup 13/C NMR shift analysis was applied to test the partitioning of cosurfactant between the surface and the interior of the droplet. For all three compositions significant fractions of the cosurfactant are present in the interior. This is corroborated by results obtained from T/sub 1/ relaxation-time analysis at different field strengths. The influence of the field strength on T/sub 1/ is explained in terms of a model based on a distribution of correlation times. In particular, the importance of taking into account slower rotational modes such as the tumbling of the whole microsphere is illustrated.

  4. The monomer-seed interaction mechanism in the formation of the β2-microglobulin amyloid fibril clarified by solution NMR techniques.

    PubMed

    Yanagi, Kotaro; Sakurai, Kazumasa; Yoshimura, Yuichi; Konuma, Tsuyoshi; Lee, Young-Ho; Sugase, Kenji; Ikegami, Takahisa; Naiki, Hironobu; Goto, Yuji

    2012-09-21

    Amyloid fibrils are proteinous aggregates associated with various diseases, including Alzheimer's disease, type II diabetes, and dialysis-related amyloidosis. It is generally thought that, during the progression of these diseases, a precursor peptide or protein assumes a partially denatured structure, which interacts with the fibril seed to change into the final amyloid form. β2-Microglobulin (β2m), associated with dialysis-related amyloidosis, is known to form amyloid fibrils at low pH via a partially structured state. However, the molecular mechanism by which the conformation of β2m changes from the precursor to the final fibril structure is poorly understood. We performed various NMR experiments to characterize acid-denatured β2m. The analysis of the transverse relaxation rates revealed that acid-denatured β2m undergoes a structural exchange with an extensively unfolded form. The results of transferred cross-saturation experiments indicated that residues with a residual structure in the acid-denatured state are associated with the interaction with the fibril seed. Our experimental data suggest the partially structured state to be "activated" to become extensively unfolded, in which state the hydrophobic residues are exposed and associate with the seed. Our results provide general information about the extension of amyloid fibrils.

  5. W-band ELDOR-detected NMR (EDNMR) spectroscopy as a versatile technique for the characterisation of transition metal-ligand interactions

    NASA Astrophysics Data System (ADS)

    Cox, Nicholas; Lubitz, Wolfgang; Savitsky, Anton

    2013-10-01

    ELDOR-detected NMR (EDNMR) spectra for a series of hydrated transition metal complexes: MnII(H2O)6, CuII(H2O)6 and VIVO(H2O)5 are reported. All EDNMR experiments were performed at W-band (94 GHz) employing two independent microwave frequencies. A purpose-built broadband microwave resonator (spectral range 300 MHz) was used, sufficient to detect all single quantum nuclear transitions of the three model systems. The EDNMR spectral lineshape observed is essentially the same as in conventional ENDOR (Electron-Nuclear Double Resonance). EDNMR presents two technical advantages over ENDOR for transition metal complexes: (i) enhanced sensitivity, reducing acquisition times by at least one order of magnitude; and (ii) simultaneous detection of transitions from all magnetic nuclei. This includes ligand (1H, 2H, 17O) and metal centred hyperfine couplings. For the latter, both isotropic couplings in the case of the 55Mn complex and highly anisotropic couplings in the case of 51V and 63,65Cu complexes could be resolved. By monitoring the intensity of the EDNMR lines as function of the amplitude of the pumping microwave pulse, transitions from non-equivalent nuclei can be differentiated. Double quantum transitions are also readily identified. In case of the MnII(H217O)6 complex, spectral lines involving the simultaneous pumping of both the 55Mn and 17O nuclear transitions are observed.

  6. Advanced imaging techniques for the study of plant growth and development

    PubMed Central

    Sozzani, Rosangela; Busch, Wolfgang; Spalding, Edgar P.; Benfey, Philip N.

    2014-01-01

    A variety of imaging methodologies are being used to collect data for quantitative studies of plant growth and development from living plants. Multi-level data, from macroscopic to molecular, and from weeks to seconds, can be acquired. Furthermore, advances in parallelized and automated image acquisition enable the throughput to capture images from large populations of plants under specific growth conditions. Image-processing capabilities allow for 3D or 4D reconstruction of image data and automated quantification of biological features. These advances facilitate the integration of imaging data with genome-wide molecular data to enable systems-level modeling. PMID:24434036

  7. Advanced imaging techniques for the study of plant growth and development.

    PubMed

    Sozzani, Rosangela; Busch, Wolfgang; Spalding, Edgar P; Benfey, Philip N

    2014-05-01

    A variety of imaging methodologies are being used to collect data for quantitative studies of plant growth and development from living plants. Multi-level data, from macroscopic to molecular, and from weeks to seconds, can be acquired. Furthermore, advances in parallelized and automated image acquisition enable the throughput to capture images from large populations of plants under specific growth conditions. Image-processing capabilities allow for 3D or 4D reconstruction of image data and automated quantification of biological features. These advances facilitate the integration of imaging data with genome-wide molecular data to enable systems-level modeling.

  8. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concern how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. During the last quarter the authors have concentrated on improvements in cross polarization (CP) sequences with a goal of making the CP process insensitive to experimental conditions such as the magic angle spinning (MAS) rate. In order to be able to use fields the order of 7.0 T or higher, CP efficiency must be maintained at MAS rates of over 10 kHz. The standard sequences have severe limitations at these rates which lead to intensity distortions in {sup 13}C CPMAS spectra. Thus in order to be able to take advantage of the increases in sensitivity and resolution that accompany high field operation, improvements in the NMR methods are required. The new sequences the authors are developing will be especially important for quantitative analysis of coal structure by {sup 13}C solid state NMR at high field strengths. 13 refs., 7 figs., 2 tabs.

  9. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1992-05-27

    This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed a delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

  10. Advances in CIS devices fabricated by a non-vacuum technique

    SciTech Connect

    Leidholm, C.R.; Norsworthy, G.A.; Roe, R.; Halani, A.; Basol, B.M.; Kapur, V.K.

    1999-03-01

    A novel, non-vacuum technique based on nano-particle deposition has been developed for the formation of CIS-type solar cell absorbers. Solar cells with {gt}12{percent} efficiency were previously demonstrated using this technique. Improvements in module integration processes have recently yielded 8{percent} minimodules of 75 cm{sup 2} area. {copyright} {ital 1999 American Institute of Physics.}

  11. Advanced techniques for the measurement of multiple recombination parameters in solar cells

    NASA Technical Reports Server (NTRS)

    Newhouse, M.; Wolf, M.

    1985-01-01

    A survey of bulk recombination measurement techniques was presented. Classical methods were reviewed along with their limiting assumptions and simplifications. A modulated light measurement system was built and showed the large effects of junction capacitance. Techniques for extension of classical methods for measurement of multiparameter multiregression measurements were identified and analyzed.

  12. Advances in understanding the mechanisms of mercury toxicity in wild golden grey mullet (Liza aurata) by (1)H NMR-based metabolomics.

    PubMed

    Cappello, Tiziana; Pereira, Patrícia; Maisano, Maria; Mauceri, Angela; Pacheco, Mário; Fasulo, Salvatore

    2016-12-01

    Mercury (Hg) is recognized as a dangerous contaminant due to its bioaccumulation and biomagnification within trophic levels, leading to serious health risks to aquatic biota. Therefore, there is an urgent need to unravel the mechanisms underlying the toxicity of Hg. To this aim, a metabolomics approach based on protonic nuclear magnetic resonance ((1)H NMR), coupled with chemometrics, was performed on the gills of wild golden grey mullets L. aurata living in an Hg-polluted area in Ria de Aveiro (Portugal). Gills were selected as target organ due to their direct and continuous interaction with the surrounding environment. As a consequence of accumulated inorganic Hg and methylmercury, severe changes in the gill metabolome were observed, indicating a compromised health status of mullets. Numerous metabolites, i.e. amino acids, osmolytes, carbohydrates, and nucleotides, were identified as potential biomarkers of Hg toxicity in fish gills. Specifically, decrease of taurine and glycerophosphocholine, along with increased creatine level, suggested Hg interference with the ion-osmoregulatory processes. The rise of lactate indicated anaerobic metabolism enhancement. Moreover, the increased levels of amino acids suggested the occurrence of protein catabolism, further supported by the augmented alanine, involved in nitrogenous waste excretion. Increased level of isobutyrate, a marker of anoxia, was suggestive of onset of hypoxic stress at the Hg contaminated site. Moreover, the concomitant reduction in glycerophosphocholine and phosphocholine reflected the occurrence of membrane repair processes. Finally, perturbation in antioxidant defence system was revealed by the depletion in glutathione and its constituent amino acids. All these data were also compared to the differential Hg-induced metabolic responses previously observed in liver of the same mullets (Brandão et al., 2015). Overall, the environmental metabolomics approach demonstrated its effectiveness in the

  13. Synthesis, structural, and spectroscopic (FT-IR, NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1 H-benzo[ d]imidazole by experimental techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Özdemir, Namık; Dayan, Osman; Demirmen, Selin

    2016-05-01

    The title compound ( II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1 H-benzo[ d]imidazole (C19H21N3), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1 H-benzo[ d]imidazole ( I). Both compounds I and II were characterized by IR, NMR and UV-vis spectroscopy. Solid-state structure of compound II was determined by single-crystal X-ray diffraction technique. Furthermore, quantum chemical calculations employing density functional theory (DFT/B3LYP) method with the 6-311++ G( d, p) basis set were performed for the theoretical characterization of the molecular and spectroscopic features of the compounds. Using the TD-DFT method, electronic absorption spectra of the compounds have been predicted at same level. When the obtained results were compared with the experimental findings, it is seen that theoretical results support the experimental data and a good agreement exists between them.

  14. Advance Appropriations: A Needless and Confusing Education Budget Technique. Federal Education Budget Project

    ERIC Educational Resources Information Center

    Delisle, Jason

    2007-01-01

    This report argues that advance appropriations serve no functional purpose for schools, but they create a loss of transparency, comparability, and simplicity in federal education budgeting. It allocates spending before future budgets have been established. The approach was originally used to skirt spending limits and budget procedures in place…

  15. The Advance Organizer: A Review of Research Using Glass's Technique of Meta-Analysis.

    ERIC Educational Resources Information Center

    Luiten, John; And Others

    Using Glass's meta-analysis, of which "effect size" is the fundamental measure, 135 research studies on Ausubel's advance organizer theory were reviewed to determine its effect on learning and retention. Variables, such as grade level, subject area, organizer presentation mode, and ability level were also examined. In most of these…

  16. Advanced karst hydrological and contaminant monitoring techniques for real-time and high resolution applications

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In telogenetic and soil-mantled karst aquifers, the movement of autogenic recharge through the epikarstic zone and into the regional aquifer can be a complex process and have implications for flooding, groundwater contamination, and other difficult to capture processes. Recent advances in instrument...

  17. NMR-Profiles of Protein Solutions

    PubMed Central

    Pedrini, Bill; Serrano, Pedro; Mohanty, Biswaranjan; Geralt, Michael; Wüthrich, Kurt

    2014-01-01

    NMR-Profiles are quantitative one-dimensional presentations of two-dimensional [15N,1H]-correlation spectra used to monitor the quality of protein solutions prior to and during NMR structure determinations and functional studies. In our current use in structural genomics projects, a NMR-Profile is recorded at the outset of a structure determination, using a uniformly 15N-labeled micro-scale sample of the protein. We thus assess the extent to which polypeptide backbone resonance assignments can be achieved with given NMR techniques, for example, conventional triple resonance experiments or APSY-NMR. With the availability of sequence-specific polypeptide backbone resonance assignments in the course of the structure determination, an “Assigned NMR-Profile” is generated, which visualizes the variation of the 15N–1H correlation cross peak intensities along the sequence and thus maps the sequence locations of polypeptide segments for which the NMR line shapes are affected by conformational exchange or other processes. The Assigned NMR-Profile provides a guiding reference during later stages of the structure determination, and is of special interest for monitoring the protein during functional studies, where dynamic features may be modulated during physiological functions. PMID:23839514

  18. Recent advances in electronic nose techniques for monitoring of fermentation process.

    PubMed

    Jiang, Hui; Zhang, Hang; Chen, Quansheng; Mei, Congli; Liu, Guohai

    2015-12-01

    Microbial fermentation process is often sensitive to even slight changes of conditions that may result in unacceptable end-product quality. Thus, the monitoring of the process is critical for discovering unfavorable deviations as early as possible and taking the appropriate measures. However, the use of traditional analytical techniques is often time-consuming and labor-intensive. In this sense, the most effective way of developing rapid, accurate and relatively economical method for quality assurance in microbial fermentation process is the use of novel chemical sensor systems. Electronic nose techniques have particular advantages in non-invasive monitoring of microbial fermentation process. Therefore, in this review, we present an overview of the most important contributions dealing with the quality control in microbial fermentation process using the electronic nose techniques. After a brief description of the fundamentals of the sensor techniques, some examples of potential applications of electronic nose techniques monitoring are provided, including the implementation of control strategies and the combination with other monitoring tools (i.e. sensor fusion). Finally, on the basis of the review, the electronic nose techniques are critically commented, and its strengths and weaknesses being highlighted. In addition, on the basis of the observed trends, we also propose the technical challenges and future outlook for the electronic nose techniques.

  19. Photo-CIDNP NMR spectroscopy of amino acids and proteins.

    PubMed

    Kuhn, Lars T

    2013-01-01

    Photo-chemically induced dynamic nuclear polarization (CIDNP) is a nuclear magnetic resonance (NMR) phenomenon which, among other things, is exploited to extract information on biomolecular structure via probing solvent-accessibilities of tryptophan (Trp), tyrosine (Tyr), and histidine (His) amino acid side chains both in polypeptides and proteins in solution. The effect, normally triggered by a (laser) light-induced photochemical reaction in situ, yields both positive and/or negative signal enhancements in the resulting NMR spectra which reflect the solvent exposure of these residues both in equilibrium and during structural transformations in "real time". As such, the method can offer - qualitatively and, to a certain extent, quantitatively - residue-specific structural and kinetic information on both the native and, in particular, the non-native states of proteins which, often, is not readily available from more routine NMR techniques. In this review, basic experimental procedures of the photo-CIDNP technique as applied to amino acids and proteins are discussed, recent improvements to the method highlighted, and future perspectives presented. First, the basic principles of the phenomenon based on the theory of the radical pair mechanism (RPM) are outlined. Second, a description of standard photo-CIDNP applications is given and it is shown how the effect can be exploited to extract residue-specific structural information on the conformational space sampled by unfolded or partially folded proteins on their "path" to the natively folded form. Last, recent methodological advances in the field are highlighted, modern applications of photo-CIDNP in the context of biological NMR evaluated, and an outlook into future perspectives of the method is given.

  20. Time-frequency and advanced frequency estimation techniques for the investigation of bat echolocation calls.

    PubMed

    Kopsinis, Yannis; Aboutanios, Elias; Waters, Dean A; McLaughlin, Steve

    2010-02-01

    In this paper, techniques for time-frequency analysis and investigation of bat echolocation calls are studied. Particularly, enhanced resolution techniques are developed and/or used in this specific context for the first time. When compared to traditional time-frequency representation methods, the proposed techniques are more capable of showing previously unseen features in the structure of bat echolocation calls. It should be emphasized that although the study is focused on bat echolocation recordings, the results are more general and applicable to many other types of signal.

  1. Tautomeric states of the active-site histidines of phosphorylated and unphosphorylated IIIGlc, a signal-transducing protein from Escherichia coli, using two-dimensional heteronuclear NMR techniques.

    PubMed Central

    Pelton, J. G.; Torchia, D. A.; Meadow, N. D.; Roseman, S.

    1993-01-01

    IIIGlc is an 18.1-kDa signal-transducing phosphocarrier protein of the phosphoenolpyruvate:glycose phosphotransferase system from Escherichia coli. The 1H, 15N, and 13C histidine ring NMR signals of both the phosphorylated and unphosphorylated forms of IIIGlc have been assigned using two-dimensional 1H-15N and 1H-13C heteronuclear multiple-quantum coherence (HMQC) experiments and a two-dimensional 13C-13C-1H correlation spectroscopy via JCC coupling experiment. The data were acquired on uniformly 15N-labeled and uniformly 15N/13C-labeled protein samples. The experiments rely on one-bond and two-bond J couplings that allowed for assignment of the signals without the need for the analysis of through-space (nuclear Overhauser effect spectroscopy) correlations. The 15N and 13C chemical shifts were used to determine that His-75 exists predominantly in the N epsilon 2-H tautomeric state in both the phosphorylated and unphosphorylated forms of IIIGlc, and that His-90 exists primarily in the N delta 1-H state in the unphosphorylated protein. Upon phosphorylation of the N epsilon 2 nitrogen of His-90, the N delta 1 nitrogen remains protonated, resulting in the formation of a charged phospho-His-90 moiety. The 1H, 15N, and 13C signals of the phosphorylated and unphosphorylated proteins showed only minor shifts in the pH range from 6.0 to 9.0. These data indicate that the pK alpha values for both His-75 and His-90 in IIIGlc and His-75 in phospho-IIIGlc are less than 5.0, and that the pK alpha value for phospho-His-90 is greater than 10. The results are presented in relation to previously obtained structural data on IIIGlc, and implications for proposed mechanisms of phosphoryl transfer are discussed. PMID:8518729

  2. Extending the scope of NMR spectroscopy with microcoil probes.

    PubMed

    Schroeder, Frank C; Gronquist, Matthew

    2006-11-06

    Capillary NMR (CapNMR) spectroscopy has emerged as a major breakthrough for increasing the mass-sensitivity of NMR spectroscopic analysis and enabling the combination of NMR spectroscopy with other analytical techniques. Not only is the acquisition of high-sensitivity spectra getting easier but the quality of CapNMR spectra obtained in many small-molecule applications exceeds what can be accomplished with conventional designs. This Minireview discusses current CapNMR technology and its applications for the characterization of mass-limited, small-molecule and protein samples, the rapid screening of small-molecule or protein libraries, as well as hyphenated techniques that combine CapNMR with other analytical methods.

  3. Two-dimensional NMR spectrometry

    SciTech Connect

    Farrar, T.C.

    1987-06-01

    This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t/sub 0/; an evolution period, t/sub 1/; and a detection period, t/sub 2/.

  4. The use of solid-state NMR techniques for the analysis of water in coal and the effect of different coal drying techniques on the structure and reactivity of coal. Quarterly report, March 1, 1994--May 31, 1994

    SciTech Connect

    Netzel, D.A.

    1994-08-01

    One area for improvement in the economics of coal liquefaction is coal drying, particularly for the lower rank coals. However, there is considerable evidence to show that drying has a detrimental effect on the liquefaction behavior of coals. Regarding the liquefaction of coal, there does not appear to have been any systematic study of the methods of coal drying on coal structure and the role water plays in enhancing or lessening coal reactivity toward liquefaction. For the research program reported here, different methods of drying are being investigated to determine if drying can be accomplished without destroying coal reactivity toward liquefaction. In an effort to understand the mechanism of water for enhancing coal liquefaction yield, the reactions of D{sub 2}O with the molecular constituents of coal during coal liquefaction are being investigated. This study involves the use of solution-state deuterium NMR, as well as, conventional solution-state {sup 1}H and {sup 13}C NMR analyses of the coal, and the coal liquids and residue from a coal liquefaction process. These D{sub 2}O transfer reactions will be conducted on coals which have been dried by various methods and rehydrated using D{sub 2}O and by successive exchange of H{sub 2}O associated with the coals with D{sub 2}O. The drying methods include thermal, microwave, and chemical dehydration of the coal.

  5. An overview on in situ micronization technique – An emerging novel concept in advanced drug delivery

    PubMed Central

    Vandana, K.R.; Prasanna Raju, Y.; Harini Chowdary, V.; Sushma, M.; Vijay Kumar, N.

    2013-01-01

    The use of drug powders containing micronized drug particles has been increasing in several pharmaceutical dosage forms to overcome the dissolution and bioavailability problems. Most of the newly developed drugs are poorly water soluble which limits dissolution rate and bioavailability. The dissolution rate can be enhanced by micronization of the drug particles. The properties of the micronized drug substance such as particle size, size distribution, shape, surface properties, and agglomeration behaviour and powder flow are affected by the type of micronization technique used. Mechanical communition, spray drying and supercritical fluid (SCF) technology are the most commonly employed techniques for production of micronized drug particles but the characteristics of the resulting drug product cannot be controlled using these techniques. Hence, a newer technique called in situ micronization is developed in order to overcome the limitations associated with the other techniques. This review summarizes the existing knowledge on in situ micronization techniques. The properties of the resulting drug substance obtained by in situ micronization were also compared. PMID:25161371

  6. Assessment of recent advances in measurement techniques for atmospheric carbon dioxide and methane observations

    NASA Astrophysics Data System (ADS)

    Zellweger, Christoph; Emmenegger, Lukas; Firdaus, Mohd; Hatakka, Juha; Heimann, Martin; Kozlova, Elena; Spain, T. Gerard; Steinbacher, Martin; van der Schoot, Marcel V.; Buchmann, Brigitte

    2016-09-01

    Until recently, atmospheric carbon dioxide (CO2) and methane (CH4) measurements were made almost exclusively using nondispersive infrared (NDIR) absorption and gas chromatography with flame ionisation detection (GC/FID) techniques, respectively. Recently, commercially available instruments based on spectroscopic techniques such as cavity ring-down spectroscopy (CRDS), off-axis integrated cavity output spectroscopy (OA-ICOS) and Fourier transform infrared (FTIR) spectroscopy have become more widely available and affordable. This resulted in a widespread use of these techniques at many measurement stations. This paper is focused on the comparison between a CRDS "travelling instrument" that has been used during performance audits within the Global Atmosphere Watch (GAW) programme of the World Meteorological Organization (WMO) with instruments incorporating other, more traditional techniques for measuring CO2 and CH4 (NDIR and GC/FID). We demonstrate that CRDS instruments and likely other spectroscopic techniques are suitable for WMO/GAW stations and allow a smooth continuation of historic CO2 and CH4 time series. Moreover, the analysis of the audit results indicates that the spectroscopic techniques have a number of advantages over the traditional methods which will lead to the improved accuracy of atmospheric CO2 and CH4 measurements.

  7. Advances in atmospheric light scattering theory and remote-sensing techniques

    NASA Astrophysics Data System (ADS)

    Videen, Gorden; Sun, Wenbo; Gong, Wei

    2017-02-01

    This issue focuses especially on characterizing particles in the Earth-atmosphere system. The significant role of aerosol particles in this system was recognized in the mid-1970s [1]. Since that time, our appreciation for the role they play has only increased. It has been and continues to be one of the greatest unknown factors in the Earth-atmosphere system as evidenced by the most recent Intergovernmental Panel on Climate Change (IPCC) assessments [2]. With increased computational capabilities, in terms of both advanced algorithms and in brute-force computational power, more researchers have the tools available to address different aspects of the role of aerosols in the atmosphere. In this issue, we focus on recent advances in this topical area, especially the role of light scattering and remote sensing. This issue follows on the heels of four previous topical issues on this subject matter that have graced the pages of this journal [3-6].

  8. External Magnetic Field Reduction Techniques for the Advanced Stirling Radioisotope Generator

    NASA Technical Reports Server (NTRS)

    Niedra, Janis M.; Geng, Steven M.

    2013-01-01

    Linear alternators coupled to high efficiency Stirling engines are strong candidates for thermal-to-electric power conversion in space. However, the magnetic field emissions, both AC and DC, of these permanent magnet excited alternators can interfere with sensitive instrumentation onboard a spacecraft. Effective methods to mitigate the AC and DC electromagnetic interference (EMI) from solenoidal type linear alternators (like that used in the Advanced Stirling Convertor) have been developed for potential use in the Advanced Stirling Radioisotope Generator. The methods developed avoid the complexity and extra mass inherent in data extraction from multiple sensors or the use of shielding. This paper discusses these methods, and also provides experimental data obtained during breadboard testing of both AC and DC external magnetic field devices.

  9. Advanced techniques for the storage and use of very large, heterogeneous spatial databases

    NASA Technical Reports Server (NTRS)

    Peuquet, Donna J.

    1987-01-01

    Progress is reported in the development of a prototype knowledge-based geographic information system. The overall purpose of this project is to investigate and demonstrate the use of advanced methods in order to greatly improve the capabilities of geographic information system technology in the handling of large, multi-source collections of spatial data in an efficient manner, and to make these collections of data more accessible and usable for the Earth scientist.

  10. A nanoliter volume nuclear magnetic resonance (NMR) system using tunneling magneto-resistive (TMR) sensors to recognize biomolecules

    NASA Astrophysics Data System (ADS)

    Gomez, Pablo

    The need to incorporate advanced engineering tools in biology, biochemistry and medicine is in great demand. Many of the existing instruments and tools are usually expensive and require special facilities. With the advent of nanotechnology in the past decade, new approaches to develop devices and tools have been generated by academia and industry. One such technology, NMR spectroscopy, has been used by biochemists for more than 2 decades to study the molecular structure of chemical compounds. However, NMR spectrometers are very expensive and require special laboratory rooms for their proper operation. High magnetic fields with strengths in the order of several Tesla make these instruments unaffordable to most research groups. This doctoral research proposes a new technology to develop NMR spectrometers that can operate at field strengths of less than 0.5 Tesla using an inexpensive permanent magnet and spin dependent nanoscale magnetic devices. This portable NMR system is intended to analyze samples as small as a few nanoliters. The main problem to resolve when downscaling the variables is to obtain an NMR signal with high Signal-To-Noise-Ratio (SNR). A special Tunneling Magneto-Resistive (TMR) sensor design was developed to achieve this goal. The minimum specifications for each component of the proposed NMR system were established. A complete NMR system was designed based on these minimum requirements. The goat was always to find cost effective realistic components. The novel design of the NMR system uses technologies such as Direct Digital Synthesis (DDS), Digital Signal Processing (DSP) and a special Backpropagation Neural Network that finds the best match of the NMR spectrum. The system was designed, calculated and simulated with excellent results. In addition, a general method to design TMR Sensors was developed. The technique was automated and a computer program was written to help the designer perform this task interactively.

  11. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity.

  12. NMR Methods to Study Dynamic Allostery

    PubMed Central

    Grutsch, Sarina; Brüschweiler, Sven; Tollinger, Martin

    2016-01-01

    Nuclear magnetic resonance (NMR) spectroscopy provides a unique toolbox of experimental probes for studying dynamic processes on a wide range of timescales, ranging from picoseconds to milliseconds and beyond. Along with NMR hardware developments, recent methodological advancements have enabled the characterization of allosteric proteins at unprecedented detail, revealing intriguing aspects of allosteric mechanisms and increasing the proportion of the conformational ensemble that can be observed by experiment. Here, we present an overview of NMR spectroscopic methods for characterizing equilibrium fluctuations in free and bound states of allosteric proteins that have been most influential in the field. By combining NMR experimental approaches with molecular simulations, atomistic-level descriptions of the mechanisms by which allosteric phenomena take place are now within reach. PMID:26964042

  13. Phosporus-31 Solid-State NMR in High-Field Gradients: Prospects for Imaging Bone Using the Long Echo-Train Summation Technique (LETS)

    NASA Astrophysics Data System (ADS)

    Gillies, D. G.; Newling, B.; Randall, E. W.

    2001-08-01

    Stray-field techniques are reported for 31P studies of solids for a variety of compounds including bone, bone meal and calcium hydroxyapatite. Long Hahn echo trains produced by the application of many pulses were used as in the long echo-train summation technique. Double-resonance enhancements of 31P by use of both direct and indirect experiments were attempted on a sample of NH4PF6:31P{19F} double resonance produced, at most, a 26% increase in the initial level of the 31P echo signal.

  14. Advanced Endovascular Approaches in the Management of Challenging Proximal Aortic Neck Anatomy: Traditional Endografts and the Snorkel Technique

    PubMed Central

    Quatromoni, Jon G.; Orlova, Ksenia; Foley, Paul J.

    2015-01-01

    Advances in endovascular technology, and access to this technology, have significantly changed the field of vascular surgery. Nowhere is this more apparent than in the treatment of abdominal aortic aneurysms (AAAs), in which endovascular aneurysm repair (EVAR) has replaced the traditional open surgical approach in patients with suitable anatomy. However, approximately one-third of patients presenting with AAAs are deemed ineligible for standard EVAR because of anatomic constraints, the majority of which involve the proximal aneurysmal neck. To overcome these challenges, a bevy of endovascular approaches have been developed to either enhance stent graft fixation at the proximal neck or extend the proximal landing zone to allow adequate apposition to the aortic wall and thus aneurysm exclusion. This article is composed of two sections that together address new endovascular approaches for treating aortic aneurysms with difficult proximal neck anatomy. The first section will explore advancements in the traditional EVAR approach for hostile neck anatomy that maximize the use of the native proximal landing zone; the second section will discuss a technique that was developed to extend the native proximal landing zone and maintain perfusion to vital aortic branches using common, off-the-shelf components: the snorkel technique. While the techniques presented differ in terms of approach, the available clinical data, albeit limited, support the notion that they may both have roles in the treatment algorithm for patients with challenging proximal neck anatomy. PMID:26327748

  15. Comparison of advanced optical imaging techniques with current otolaryngology diagnostics for improved middle ear assessment (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Nolan, Ryan M.; Shelton, Ryan L.; Monroy, Guillermo L.; Spillman, Darold R.; Novak, Michael A.; Boppart, Stephen A.

    2016-02-01

    Otolaryngologists utilize a variety of diagnostic techniques to assess middle ear health. Tympanometry, audiometry, and otoacoustic emissions examine the mobility of the tympanic membrane (eardrum) and ossicles using ear canal pressure and auditory tone delivery and detection. Laser Doppler vibrometry provides non-contact vibrational measurement, and acoustic reflectometry is used to assess middle ear effusion using sonar. These technologies and techniques have advanced the field beyond the use of the standard otoscope, a simple tissue magnifier, yet the need for direct visualization of middle ear disease for superior detection, assessment, and management remains. In this study, we evaluated the use of portable optical coherence tomography (OCT) and pneumatic low-coherence interferometry (LCI) systems with handheld probe delivery to standard tympanometry, audiometry, otoacoustic emissions, laser Doppler vibrometry, and acoustic reflectometry. Comparison of these advanced optical imaging techniques and current diagnostics was conducted with a case study subject with a history of unilateral eardrum trauma. OCT and pneumatic LCI provide novel dynamic spatiotemporal structural data of the middle ear, such as the thickness of the eardrum and quantitative detection of underlying disease pathology, which could allow for more accurate diagnosis and more appropriate management than currently possible.

  16. Mobile NMR: An essential tool for protecting our cultural heritage.

    PubMed

    Baias, Maria

    2017-01-01

    What is 'cultural heritage'? Is it simply our legacy of physical artifacts - or is it our collective legacy as human societies - how we want to be remembered by future generations? With time, negligence, and even military conflict working to erase the past, we must ask: Can a better understanding of our shared heritage assists us in addressing cultural differences in the present day? And how can science both help us understand the historic record and work to preserve it? In this perspective article, we examine an emerging scientific method, mobile nuclear magnetic resonance (NMR), which can help us examine in a non-invasive way important objects and sites of our cultural heritage. Following these investigations, one can envisage ways for protecting our global heritage for future generations. For this purpose, we examine how this method can be used to non-destructively explore historical artifacts, which can lead to understanding the science behind the creation of these treasured items - paintings, frescoes, parchments, historical buildings, musical instruments, ancient mummies, and other artifacts. This perspective article follows few relevant examples from the scientific literature where mobile NMR has been applied in a non-invasive way to analyze objects of cultural heritage. One can envision possible future advancements of this technique and further applications where portable NMR can be used for conservation of cultural heritage. Copyright © 2016 John Wiley & Sons, Ltd.

  17. POC-SCALE TESTING OF AN ADVANCED FINE COAL DEWATERING EQUIPMENT/TECHNIQUE

    SciTech Connect

    X.H. Wang; J. Wiseman; D.J. Sung; D. McLean; William Peters; Jim Mullins; John Hugh; G. Evans; Vince Hamilton; Kenneth Robinette; Tim Krim; Michael Fleet

    1999-08-01

    Dewatering of ultra-fine (minus 150 {micro}m) coal slurry to less than 20% moisture is difficult using the conventional dewatering techniques. The main objective of the project was to evaluate a novel surface modification technique, which utilizes the synergistic effect of metal ions and surfactants in combination for the dewatering of ultra-fine clean-coal slurries using various dewatering techniques on a proof-of-concept (POC) scale of 0.5 to 2 tons per hour. The addition of conventional reagents and the application of coal surface modification technique were evaluated using vacuum filtration, hyperbaric (pressure) filtration, ceramic plate filtration and screen-bowl centrifuge techniques. The laboratory and pilot-scale dewatering studies were conducted using the fine-size, clean-coal slurry produced in the column flotation circuit at the Powell Mountain Coal Company, St. Charles, VA. The pilot-scale studies were conducted at the Mayflower preparation plant in St. Charles, VA. The program consisted of nine tasks, namely, Task 1--Project Work Planning, Task 2--Laboratory Testing, Task 3--Engineering Design, Task 4--Procurement and Fabrication, Task 5--Installation and Shakedown, Task 6--System Operation, Task 7--Process Evaluation, Task 8--Equipment Removal, and Task 9--Reporting.

  18. Lithium Polymer Electrolytes and Solid State NMR

    NASA Technical Reports Server (NTRS)

    Berkeley, Emily R.

    2004-01-01

    Research is being done at the Glenn Research Center (GRC) developing new kinds of batteries that do not depend on a solution. Currently, batteries use liquid electrolytes containing lithium. Problems with the liquid electrolyte are (1) solvents used can leak out of the battery, so larger, more restrictive, packages have to be made, inhibiting the diversity of application and decreasing the power density; (2) the liquid is incompatible with the lithium metal anode, so alternative, less efficient, anodes are required. The Materials Department at GRC has been working to synthesize polymer electrolytes that can replace the liquid electrolytes. The advantages are that polymer electrolytes do not have the potential to leak so they can be used for a variety of tasks, small or large, including in the space rover or in space suits. The polymers generated by Dr. Mary Ann Meador's group are in the form of rod -coil structures. The rod aspect gives the polymer structural integrity, while the coil makes it flexible. Lithium ions are used in these polymers because of their high mobility. The coils have repeating units of oxygen which stabilize the positive lithium by donating electron density. This aids in the movement of the lithium within the polymer, which contributes to higher conductivity. In addition to conductivity testing, these polymers are characterized using DSC, TGA, FTIR, and solid state NMR. Solid state NMR is used in classifying materials that are not soluble in solvents, such as polymers. The NMR spins the sample at a magic angle (54.7') allowing the significant peaks to emerge. Although solid state NMR is a helpful technique in determining bonding, the process of preparing the sample and tuning it properly are intricate jobs that require patience; especially since each run takes about six hours. The NMR allows for the advancement of polymer synthesis by showing if the expected results were achieved. Using the NMR, in addition to looking at polymers, allows for

  19. Visualization of delamination in composite materials utilizing advanced X-ray imaging techniques

    NASA Astrophysics Data System (ADS)

    Vavrik, D.; Jakubek, J.; Jandejsek, I.; Krejci, F.; Kumpova, I.; Zemlicka, J.

    2015-04-01

    This work is focused on the development of instrumental radiographic methods for detection of delaminations in layered carbon fibre reinforced plastic composites used in the aerospace industry. The main limitation of current visualisation techniques is a very limited possibility to image so-called closed delaminations in which delaminated layers are in contact practically with no physical gap. In this contribution we report the development of innovative methods for closed delamination detection using an X-ray phase contrast technique for which the distance between delamination surfaces is not relevant. The approach is based on the energetic sensitivity of phase-enhanced radiography. Based on the applied methodology, we can distinguish both closed and open delamination. Further we have demonstrated the possibility to visualise open delaminations characterised by a physical gap between delaminated layers. This delamination type was successfully identified and visualized utilizing a high resolution and computed tomography table-top technique based on proper beam-hardening effect correction.

  20. Advanced analysis technique for the evaluation of linear alternators and linear motors

    NASA Technical Reports Server (NTRS)

    Holliday, Jeffrey C.

    1995-01-01

    A method for the mathematical analysis of linear alternator and linear motor devices and designs is described, and an example of its use is included. The technique seeks to surpass other methods of analysis by including more rigorous treatment of phenomena normally omitted or coarsely approximated such as eddy braking, non-linear material properties, and power losses generated within structures surrounding the device. The technique is broadly applicable to linear alternators and linear motors involving iron yoke structures and moving permanent magnets. The technique involves the application of Amperian current equivalents to the modeling of the moving permanent magnet components within a finite element formulation. The resulting steady state and transient mode field solutions can simultaneously account for the moving and static field sources within and around the device.

  1. Advanced Analytical Techniques for the Measurement of Nanomaterials in Food and Agricultural Samples: A Review

    PubMed Central

    Bandyopadhyay, Susmita; Peralta-Videa, Jose R.; Gardea-Torresdey, Jorge L.

    2013-01-01

    Abstract Nanotechnology offers substantial prospects for the development of state-of-the-art products and applications for agriculture, water treatment, and food industry. Profuse use of nanoproducts will bring potential benefits to farmers, the food industry, and consumers, equally. However, after end-user applications, these products and residues will find their way into the environment. Therefore, discharged nanomaterials (NMs) need to be identified and quantified to determine their ecotoxicity and the levels of exposure. Detection and characterization of NMs and their residues in the environment, particularly in food and agricultural products, have been limited, as no single technique or method is suitable to identify and quantify NMs. In this review, we have discussed the available literature concerning detection, characterization, and measurement techniques for NMs in food and agricultural matrices, which include chromatography, flow field fractionation, electron microscopy, light scattering, and autofluorescence techniques, among others. PMID:23483065

  2. Fault Detection of Gearbox from Inverter Signals Using Advanced Signal Processing Techniques

    NASA Astrophysics Data System (ADS)

    Pislaru, C.; Lane, M.; Ball, A. D.; Gu, F.

    2012-05-01

    The gear faults are time-localized transient events so time-frequency analysis techniques (such as the Short-Time Fourier Transform, Wavelet Transform, motor current signature analysis) are widely used to deal with non-stationary and nonlinear signals. Newly developed signal processing techniques (such as empirical mode decomposition and Teager Kaiser Energy Operator) enabled the recognition of the vibration modes that coexist in the system, and to have a better understanding of the nature of the fault information contained in the vibration signal. However these methods require a lot of computational power so this paper presents a novel approach of gearbox fault detection using the inverter signals to monitor the load, rather than the motor current. The proposed technique could be used for continuous monitoring as well as on-line damage detection systems for gearbox maintenance.

  3. Advanced atomic force microscopy techniques for characterizing the properties of cellulosic nanomaterials

    NASA Astrophysics Data System (ADS)

    Wagner, Ryan Bradley

    The measurement of nanomechanical properties is of great interest to science and industry. Key to progress in this area is the development of new techniques and analysis methods to identify, measure, and quantify these properties. In this dissertation, new data analysis methods and experimental techniques for measuring nanomechanical properties with the atomic force microscope (AFM) are considered. These techniques are then applied to the study of cellulose nanoparticles, an abundant, plant derived nanomaterial. Quantifying uncertainty is a prerequisite for the manufacture of reliable nano-engineered materials and products. However, rigorous uncertainty quantification is rarely applied for material property measurements with the AFM. A framework is presented to ascribe uncertainty to local nanomechanical properties of any nanoparticle or surface measured with the AFM by taking into account the main uncertainty sources inherent in such measurements. This method is demonstrated by quantifying uncertainty in force displacement AFM based measurements of the transverse elastic modulus of tunicate cellulose nanocrystals. Next, a more comprehensive study of different types of cellulose nanoparticles is undertaken with contact resonance (CR) AFM. CR-AFM is a dynamic AFM technique that exploits the resonance frequency of the AFM cantilever while it is permanent contact with the sample surface to predict nanomechanical properties. This technique offers improved measurement sensitivity over static AFM methods for some material systems. The effects of cellulose source material and processing technique on the properties of cellulose nanoparticles are compared. Finally, dynamic AFM cantilever vibration shapes are studied. Many AFM modes exploit the dynamic response of a cantilever in permanent contact with a sample to extract local material properties. A common challenge to these modes is that they assume a certain shape of cantilever vibration, which is not accessible in

  4. Advanced statistics: applying statistical process control techniques to emergency medicine: a primer for providers.

    PubMed

    Callahan, Charles D; Griffen, David L

    2003-08-01

    Emergency medicine faces unique challenges in the effort to improve efficiency and effectiveness. Increased patient volumes, decreased emergency department (ED) supply, and an increased emphasis on the ED as a diagnostic center have contributed to poor customer satisfaction and process failures such as diversion/bypass. Statistical process control (SPC) techniques developed in industry offer an empirically based means to understand our work processes and manage by fact. Emphasizing that meaningful quality improvement can occur only when it is exercised by "front-line" providers, this primer presents robust yet accessible SPC concepts and techniques for use in today's ED.

  5. Image enhancement and advanced information extraction techniques for ERTS-1 data

    NASA Technical Reports Server (NTRS)

    Malila, W. A. (Principal Investigator); Nalepka, R. F.; Sarno, J. E.

    1975-01-01

    The author has identified the following significant results. It was demonstrated and concluded that: (1) the atmosphere has significant effects on ERTS MSS data which can seriously degrade recognition performance; (2) the application of selected signature extension techniques serve to reduce the deleterious effects of both the atmosphere and changing ground conditions on recognition performance; and (3) a proportion estimation algorithm for overcoming problems in acreage estimation accuracy resulting from the coarse spatial resolution of the ERTS MSS, was able to significantly improve acreage estimation accuracy over that achievable by conventional techniques, especially for high contrast targets such as lakes and ponds.

  6. Advances in Surgical Reconstructive Techniques in the Management of Penile, Urethral, and Scrotal Cancer.

    PubMed

    Bickell, Michael; Beilan, Jonathan; Wallen, Jared; Wiegand, Lucas; Carrion, Rafael

    2016-11-01

    This article reviews the most up-to-date surgical treatment options for the reconstructive management of patients with penile, urethral, and scrotal cancer. Each organ system is examined individually. Techniques and discussion for penile cancer reconstruction include Mohs surgery, glans resurfacing, partial and total glansectomy, and phalloplasty. Included in the penile cancer reconstruction section is the use of penile prosthesis in phalloplasty patients after penectomy, tissue engineering in phallic regeneration, and penile transplantation. Reconstruction following treatment of primary urethral carcinoma and current techniques for scrotal cancer reconstruction using split-thickness skin grafts and flaps are described.

  7. Optical diagnostics of gas-dynamic flows using advanced laser measurement techniques

    NASA Technical Reports Server (NTRS)

    Gross, K. P.

    1985-01-01

    Using laser-induced fluorescence to probe nitrogen flows seeded with small amounts of nitric oxide, simultaneous measurements of all three thermodynamic scalar quantities temperature, density, and pressure, were demonstrated in a supersonic turbulent boundary layer. Instrumental uncertainty is 1% for temperature and 2% for density and pressure, making the techniques suitable for measurements of turbulent fluctuations. This technology is currently being transferred to an experimental program designed to use these optical techniques in conjunction with traditional methods to make measurements in turbulent flowfields that were not possible before. A detailed descritpion of the research progress and pertinent results are presented.

  8. Advanced techniques for detection and identification of microbial agents of gastroenteritis.

    PubMed

    Dunbar, Sherry A; Zhang, Hongwei; Tang, Yi-Wei

    2013-09-01

    Gastroenteritis persists as a worldwide problem, responsible for approximately 2 million deaths annually. Traditional diagnostic methods used in the clinical microbiology laboratory include a myriad of tests, such as culture, microscopy, and immunodiagnostics, which can be labor intensive and suffer from long turnaround times and, in some cases, poor sensitivity. [corrected]. This article reviews recent advances in genomic and proteomic technologies that have been applied to the detection and identification of gastrointestinal pathogens. These methods simplify and speed up the detection of pathogenic microorganisms, and their implementation in the clinical microbiology laboratory has potential to revolutionize the diagnosis of gastroenteritis.

  9. Principles and techniques in the design of ADMS+. [advanced data-base management system

    NASA Technical Reports Server (NTRS)

    Roussopoulos, Nick; Kang, Hyunchul

    1986-01-01

    'ADMS+/-' is an advanced data base management system whose architecture integrates the ADSM+ mainframe data base system with a large number of work station data base systems, designated ADMS-; no communications exist between these work stations. The use of this system radically decreases the response time of locally processed queries, since the work station runs in a single-user mode, and no dynamic security checking is required for the downloaded portion of the data base. The deferred update strategy used reduces overhead due to update synchronization in message traffic.

  10. Advanced computer techniques for inverse modeling of electric current in cardiac tissue

    SciTech Connect

    Hutchinson, S.A.; Romero, L.A.; Diegert, C.F.

    1996-08-01

    For many years, ECG`s and vector cardiograms have been the tools of choice for non-invasive diagnosis of cardiac conduction problems, such as found in reentrant tachycardia or Wolff-Parkinson-White (WPW) syndrome. Through skillful analysis of these skin-surface measurements of cardiac generated electric currents, a physician can deduce the general location of heart conduction irregularities. Using a combination of high-fidelity geometry modeling, advanced mathematical algorithms and massively parallel computing, Sandia`s approach would provide much more accurate information and thus allow the physician to pinpoint the source of an arrhythmia or abnormal conduction pathway.

  11. Precision bone and muscle loss measurements by advanced, multiple projection DEXA (AMPDXA) techniques for spaceflight applications

    NASA Technical Reports Server (NTRS)

    Charles, H. K. Jr; Beck, T. J.; Feldmesser, H. S.; Magee, T. C.; Spisz, T. S.; Pisacane, V. L.

    2001-01-01

    An advanced, multiple projection, dual energy x-ray absorptiometry (AMPDXA) scanner system is under development. The AMPDXA is designed to make precision bone and muscle loss measurements necessary to determine the deleterious effects of microgravity on astronauts as well as develop countermeasures to stem their bone and muscle loss. To date, a full size test system has been developed to verify principles and the results of computer simulations. Results indicate that accurate predictions of bone mechanical properties can be determined from as few as three projections, while more projections are needed for a complete, three-dimensional reconstruction. c 2001. Elsevier Science Ltd. All rights reserved.

  12. Recent Advances in Nanobiotechnology and High-Throughput Molecular Techniques for Systems Biomedicine

    PubMed Central

    Kim, Eung-Sam; Ahn, Eun Hyun; Chung, Euiheon; Kim, Deok-Ho

    2013-01-01

    Nanotechnology-based tools are beginning to emerge as promising platforms for quantitative high-throughput analysis of live cells and tissues. Despite unprecedented progress made over the last decade, a challenge still lies in integrating emerging nanotechnology-based tools into macroscopic biomedical apparatuses for practical purposes in biomedical sciences. In this review, we discuss the recent advances and limitations in the analysis and control of mechanical, biochemical, fluidic, and optical interactions in the interface areas of nanotechnology-based materials and living cells in both in vitro and in vivo settings. PMID:24258011

  13. Fiber Optic Surface Plasmon Resonance-Based Biosensor Technique: Fabrication, Advancement, and Application.

    PubMed

    Liang, Gaoling; Luo, Zewei; Liu, Kunping; Wang, Yimin; Dai, Jianxiong; Duan, Yixiang

    2016-05-03

    Fiber optic-based biosensors with surface plasmon resonance (SPR) technology are advanced label-free optical biosensing methods. They have brought tremendous progress in the sensing of various chemical and biological species. This review summarizes four sensing configurations (prism, grating, waveguide, and fiber optic) with two ways, attenuated total reflection (ATR) and diffraction, to excite the surface plasmons. Meanwhile, the designs of different probes (U-bent, tapered, and other probes) are also described. Finally, four major types of biosensors, immunosensor, DNA biosensor, enzyme biosensor, and living cell biosensor, are discussed in detail for their sensing principles and applications. Future prospects of fiber optic-based SPR sensor technology are discussed.

  14. Joint IAMAS/IAHS Symposium J1 on Global Monitoring and Advanced Observing Techniques in the Atmosphere and Hydrosphere

    NASA Technical Reports Server (NTRS)

    Ohring, G.; Aoki, T.; Halpern D.; Henderson-Sellers, A.; Charlock, T.; Joseph, J.; Labitzke, K.; Raschke, E.; Smith, W.

    1994-01-01

    Seventy papers were presented at the two-and-a-half-day Symposium on Global Monitoring and Advanced Observing Techniques in the Atmosphere and Hydrosphere. The symposium was jointly organized by the International Association of Meteorology and Atmospheric Sciences (IAMAS) and the International Association of Hydrological Sciences (IAHS). Global observing systems are receiving increased attention in connection with such problems as monitoring global climate change. The symposium included papers on observational requirements; measurement methodologies; descriptions of available datasets; results of analysis of observational data; plans for future observing systems, including the Global Climate Observing System (GCOS) and the Global Ocean Observing System (GOOS); and the programs and plans of the space agencies.

  15. Management of a coronally advanced lingual flap in regenerative osseous surgery: a case series introducing a novel technique.

    PubMed

    Ronda, Marco; Stacchi, Claudio

    2011-01-01

    One of the crucial factors in the success of guided bone regeneration procedures is the correct management of the soft tissues. This allows for stable primary wound closure without tension, which can result in premature exposure of the augmentation area, jeopardizing the final outcome. The use of vertical and periosteal incisions to passivate buccal and lingual flaps in the posterior mandible is often limited by anatomical factors. This paper reports on a series of 69 consecutive cases introducing a novel surgical technique to release and advance the lingual flap coronally in a safe and predictable manner.

  16. Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

    2014-01-01

    The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

  17. An Introduction to Biological NMR Spectroscopy*

    PubMed Central

    Marion, Dominique

    2013-01-01

    NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP). PMID:23831612

  18. An introduction to biological NMR spectroscopy.

    PubMed

    Marion, Dominique

    2013-11-01

    NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP).

  19. The use of NMR techniques for the analysis of water in coal and the effect of different coal drying techniques on the structure and reactivity of coal. Final report

    SciTech Connect

    Netzel, D.A.; Miknis, F.P.; Wallace, J.C. Jr.; Butcher, C.H.; Mitzel, J.M.; Turner, T.F.; Hurtubise, R.J.

    1995-02-01

    Western Research Institute has conducted a study of different methods of coal drying as pretreatment steps before liquefaction. The objectives of this study were to develop a combined chemical dehydration/nuclear magnetic resonance (NMR) method for measuring the moisture content of coal, to measure the changes in coal structure that occur during drying, and to determine the effects of different drying methods on liquefaction reactivity of coals. Different methods of drying were investigated to determine whether coal drying can be accomplished without reducing the reactivity of coals toward liquefaction. Drying methods included thermal, microwave, and chemical dehydration. Coals of rank lignite to high volatile bituminous were studied. Coals that were dried or partially dried thermally and with microwaves had lower liquefaction conversions than coals containing equilibrium moisture contents. However, chemically dried coals had conversions equal to or greater than the premoisturized coals. The conversion behavior is consistent with changes in the physical structure and cross linking reactions because of drying. Thermal and microwave drying appear to cause a collapse in the pore structure, thus preventing donor solvents such as tetralin from contacting reactive sites inside the coals. Chemical dehydration does not appear to collapse the pore structure. These results are supported by the solvent swelling measurements in which the swelling ratios of thermally dried and microwave-dried coals were lower than those of premoisturized coals, indicating a greater degree of cross linking in the dried coals. The swelling ratios of the chemically dried coals were greater than those of the premoisturized coals because the pore structure remaining unchanged or increased when water was removed. These results are consistent with the NMR results, which did not show significant changes in coal chemical structure.

  20. An advanced test technique to quantify thermomechanical fatigue damage accumulation in composite materials

    NASA Technical Reports Server (NTRS)

    Castelli, Michael G.

    1993-01-01

    A mechanical test technique was developed to assist in quantifying the accumulation of damage in composite materials during thermomechanical fatigue (TMF) cycling. This was accomplished by incorporating definitive elastic mechanical property measurements into an ongoing load-controlled TMF test without disturbing the test specimen or significantly altering the test conditions. The technique allows two fundamental composite properties consisting of the isothermal elastic static moduli and the macroscopic coefficient of thermal expansion (CTE) to be measured and collected as functions of the TMF cycles. The specific implementation was incorporated into the commonly employed idealized in-phase and out-of-phase TMF cycles. However, the techniques discussed could be easily implemented into any form of load-controlled TMF mission cycle. By quantifying the degradations of these properties, tremendous insights are gained concerning the progression of macroscopic composite damage and often times the progression of damage within a given constituent. This information should also be useful for the characterization and essential for the verification of analytical damage modeling methodologies. Several examples utilizing this test technique are given for three different fiber lay-ups of titanium metal matrix composites.

  1. Advanced Techniques for Reservoir Simulation and Modeling of Non-Conventional Wells

    SciTech Connect

    Durlofsky, Louis J.; Aziz, Khalid

    2001-08-23

    Research results for the second year of this project on the development of improved modeling techniques for non-conventional (e.g., horizontal, deviated or multilateral) wells were presented. The overall program entails the development of enhanced well modeling and general simulation capabilities. A general formulation for black-oil and compositional reservoir simulation was presented.

  2. Advanced SuperDARN meteor wind observations based on raw time series analysis technique

    NASA Astrophysics Data System (ADS)

    Tsutsumi, M.; Yukimatu, A. S.; Holdsworth, D. A.; Lester, M.

    2009-04-01

    The meteor observation technique based on SuperDARN raw time series analysis has been upgraded. This technique extracts meteor information as biproducts and does not degrade the quality of normal SuperDARN operations. In the upgrade the radar operating system (RADOPS) has been modified so that it can oversample every 15 km during the normal operations, which have a range resolution of 45 km. As an alternative method for better range determination a frequency domain interferometry (FDI) capability was also coded in RADOPS, where the operating radio frequency can be changed every pulse sequence. Test observations were conducted using the CUTLASS Iceland East and Finland radars, where oversampling and FDI operation (two frequencies separated by 3 kHz) were simultaneously carried out. Meteor ranges obtained in both ranging techniques agreed very well. The ranges were then combined with the interferometer data to estimate meteor echo reflection heights. Although there were still some ambiguities in the arrival angles of echoes because of the rather long antenna spacing of the interferometers, the heights and arrival angles of most of meteor echoes were more accurately determined than previously. Wind velocities were successfully estimated over the height range of 84 to 110 km. The FDI technique developed here can be further applied to the common SuperDARN operation, and study of fine horizontal structures of F region plasma irregularities is expected in the future.

  3. Advance development of a technique for characterizing the thermomechanical properties of thermally stable polymers

    NASA Technical Reports Server (NTRS)

    Gillham, J. K.; Stadnicki, S. J.; Hazony, Y.

    1974-01-01

    The torsional braid experiment has been interfaced with a centralized hierarchical computing system for data acquisition and data processing. Such a system, when matched by the appropriate upgrading of the monitoring techniques, provides high resolution thermomechanical spectra of rigidity and damping, and their derivatives with respect to temperature.

  4. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coal models. Along the same lines the author are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. During the last quarter the authors has concentrated on improvements in cross polarization (CP) sequences with a goal of making the CP process insensitive to experimental conditions such as the Hartmann-Hahn mismatch. It has been found that the usual theories of CP are incorrect, and that the CP process is very heterogeneous in nature. This has significant implications on methods typically used in quantifying {sup 13}C CPMAS spectra of coals. 19 refs., 11 figs.

  5. Carbon dioxide capture and separation techniques for advanced power generation point sources

    SciTech Connect

    Pennline, H.W.; Luebke, D.R.; Morsi, B.I.; Heintz, Y.J.; Jones, K.L.; Ilconich, J.B.

    2006-09-01

    The capture/separation step for carbon dioxide (CO2) from large-point sources is a critical one with respect to the technical feasibility and cost of the overall carbon sequestration scenario. For large-point sources, such as those found in power generation, the carbon dioxide capture techniques being investigated by the in-house research area of the National Energy Technology Laboratory possess the potential for improved efficiency and costs as compared to more conventional technologies. The investigated techniques can have wide applications, but the research has focused on capture/separation of carbon dioxide from flue gas (postcombustion from fossil fuel-fired combustors) and from fuel gas (precombustion, such as integrated gasification combined cycle – IGCC). With respect to fuel gas applications, novel concepts are being developed in wet scrubbing with physical absorption; chemical absorption with solid sorbents; and separation by membranes. In one concept, a wet scrubbing technique is being investigated that uses a physical solvent process to remove CO2 from fuel gas of an IGCC system at elevated temperature and pressure. The need to define an ideal solvent has led to the study of the solubility and mass transfer properties of various solvents. Fabrication techniques and mechanistic studies for hybrid membranes separating CO2 from the fuel gas produced by coal gasification are also being performed. Membranes that consist of CO2-philic silanes incorporated into an alumina support or ionic liquids encapsulated into a polymeric substrate have been investigated for permeability and selectivity. An overview of two novel techniques is presented along with a research progress status of each technology.

  6. Advanced Techniques for Deploying Reliable and Efficient Access Control: Application to E-healthcare.

    PubMed

    Jaïdi, Faouzi; Labbene-Ayachi, Faten; Bouhoula, Adel

    2016-12-01

    Nowadays, e-healthcare is a main advancement and upcoming technology in healthcare industry that contributes to setting up automated and efficient healthcare infrastructures. Unfortunately, several security aspects remain as main challenges towards secure and privacy-preserving e-healthcare systems. From the access control perspective, e-healthcare systems face several issues due to the necessity of defining (at the same time) rigorous and flexible access control solutions. This delicate and irregular balance between flexibility and robustness has an immediate impact on the compliance of the deployed access control policy. To address this issue, the paper defines a general framework to organize thinking about verifying, validating and monitoring the compliance of access control policies in the context of e-healthcare databases. We study the problem of the conformity of low level policies within relational databases and we particularly focus on the case of a medical-records management database defined in the context of a Medical Information System. We propose an advanced solution for deploying reliable and efficient access control policies. Our solution extends the traditional lifecycle of an access control policy and allows mainly managing the compliance of the policy. We refer to an example to illustrate the relevance of our proposal.

  7. Advanced model-based FDIR techniques for aerospace systems: Today challenges and opportunities

    NASA Astrophysics Data System (ADS)

    Zolghadri, Ali

    2012-08-01

    This paper discusses some trends and recent advances in model-based Fault Detection, Isolation and Recovery (FDIR) for aerospace systems. The FDIR challenges range from pre-design and design stages for upcoming and new programs, to improvement of the performance of in-service flying systems. For space missions, optimization of flight conditions and safe operation is intrinsically related to GNC (Guidance, Navigation & Control) system of the spacecraft and includes sensors and actuators monitoring. Many future space missions will require autonomous proximity operations including fault diagnosis and the subsequent control and guidance recovery actions. For upcoming and future aircraft, one of the main issues is how early and robust diagnosis of some small and subtle faults could contribute to the overall optimization of aircraft design. This issue would be an important factor for anticipating the more and more stringent requirements which would come in force for future environmentally-friendlier programs. The paper underlines the reasons for a widening gap between the advanced scientific FDIR methods being developed by the academic community and technological solutions demanded by the aerospace industry.

  8. Development of a real-time aeroperformance analysis technique for the X-29A advanced technology demonstrator

    NASA Technical Reports Server (NTRS)

    Ray, R. J.; Hicks, J. W.; Alexander, R. I.

    1988-01-01

    The X-29A advanced technology demonstrator has shown the practicality and advantages of the capability to compute and display, in real time, aeroperformance flight results. This capability includes the calculation of the in-flight measured drag polar, lift curve, and aircraft specific excess power. From these elements many other types of aeroperformance measurements can be computed and analyzed. The technique can be used to give an immediate postmaneuver assessment of data quality and maneuver technique, thus increasing the productivity of a flight program. A key element of this new method was the concurrent development of a real-time in-flight net thrust algorithm, based on the simplified gross thrust method. This net thrust algorithm allows for the direct calculation of total aircraft drag.

  9. Analysis of leading edge and trailing edge cover glass samples before and after treatment with advanced satellite contamination removal techniques

    NASA Technical Reports Server (NTRS)

    Hotaling, S. P.

    1993-01-01

    Two samples from Long Duration Exposure Facility (LDEF) experiment M0003-4 were analyzed for molecular and particulate contamination prior to and following treatment with advanced satellite contamination removal techniques (CO2 gas/solid jet spray and oxygen ion beam). The pre- and post-cleaning measurements and analyses are presented. The jet spray removed particulates in seconds. The low energy reactive oxygen ion beam removed 5,000 A of photo polymerized organic hydrocarbon contamination in less than 1 hour. Spectroscopic analytical techniques were applied to the analysis of cleaning efficiency including: Fourier transform infrared, Auger, x ray photoemissions, energy dispersive x ray, and ultraviolet/visible. The results of this work suggest that the contamination studied here was due to spacecraft self-contamination enhanced by atomic oxygen plasma dynamics and solar UV radiation. These results also suggest the efficacy for the jet spray and ion beam contamination control technologies for spacecraft optical surfaces.

  10. Development of a real-time aeroperformance analysis technique for the X-29A advanced technology demonstrator

    NASA Technical Reports Server (NTRS)

    Ray, R. J.; Hicks, J. W.; Alexander, R. I.

    1988-01-01

    The X-29A advanced technology demonstrator has shown the practicality and advantages of the capability to compute and display, in real time, aeroperformance flight results. This capability includes the calculation of the in flight measured drag polar, lift curve, and aircraft specific excess power. From these elements, many other types of aeroperformance measurements can be computed and analyzed. The technique can be used to give an immediate postmaneuver assessment of data quality and maneuver technique, thus increasing the productivity of a flight program. A key element of this new method was the concurrent development of a real-time in flight net thrust algorithm, based on the simplified gross thrust method. This net thrust algorithm allows for the direct calculation of total aircraft drag.

  11. Advanced Materials and Fabrication Techniques for the Orion Attitude Control Motor

    NASA Technical Reports Server (NTRS)

    Gorti, Sridhar; Holmes, Richard; O'Dell, John; McKechnie, Timothy; Shchetkovskiy, Anatoliy

    2013-01-01

    Rhenium, with its high melting temperature, excellent elevated temperature properties, and lack of a ductile-to-brittle transition temperature (DBTT), is ideally suited for the hot gas components of the ACM (Attitude Control Motor), and other high-temperature applications. However, the high cost of rhenium makes fabricating these components using conventional fabrication techniques prohibitive. Therefore, near-net-shape forming techniques were investigated for producing cost-effective rhenium and rhenium alloy components for the ACM and other propulsion applications. During this investigation, electrochemical forming (EL-Form ) techniques were evaluated for producing the hot gas components. The investigation focused on demonstrating that EL-Form processing techniques could be used to produce the ACM flow distributor. Once the EL-Form processing techniques were established, a representative rhenium flow distributor was fabricated, and samples were harvested for material properties testing at both room and elevated temperatures. As a lower cost and lighter weight alternative to an all-rhenium component, rhenium- coated graphite and carbon-carbon were also evaluated. The rhenium-coated components were thermal-cycle tested to verify that they could withstand the expected thermal loads during service. High-temperature electroforming is based on electrochemical deposition of compact layers of metals onto a mandrel of the desired shape. Mandrels used for electro-deposition of near-net shaped parts are generally fabricated from high-density graphite. The graphite mandrel is easily machined and does not react with the molten electrolyte. For near-net shape components, the inner surface of the electroformed part replicates the polished graphite mandrel. During processing, the mandrel itself becomes the cathode, and scrap or refined refractory metal is the anode. Refractory metal atoms from the anode material are ionized in the molten electrolytic solution, and are deposited

  12. Development of nanomaterial-enabled advanced oxidation techniques for treatment of organic micropollutants

    NASA Astrophysics Data System (ADS)

    Oulton, Rebekah Lynn

    Increasing demand for limited fresh water resources necessitates that alternative water sources be developed. Nonpotable reuse of treated wastewater represents one such alternative. However, the ubiquitous presence of organic micropollutants such as pharmaceuticals and personal care products (PPCPs) in wastewater effluents limits use of this resource. Numerous investigations have examined PPCP fate during wastewater treatment, focusing on their removal during conventional and advanced treatment processes. Analysis of influent and effluent data from published studies reveals that at best 1-log10 concentration unit of PPCP removal can generally be achieved with conventional treatment. In contrast, plants employing advanced treatment methods, particularly ozonation and/or membranes, remove most PPCPs often to levels below analytical detection limits. However, membrane treatment is cost prohibitive for many facilities, and ozone treatment can be very selective. Ozone-recalcitrant compounds require the use of Advanced Oxidation Processes (AOPs), which utilize highly reactive hydroxyl radicals (*OH) to target resistant pollutants. Due to cost and energy use concerns associated with current AOPs, alternatives such as catalytic ozonation are under investigation. Catalytic ozonation uses substrates such as activated carbon to promote *OH formation during ozonation. Here, we show that multi-walled carbon nanotubes (MWCNTs) represent another viable substrate, promoting *OH formation during ozonation to levels exceeding activated carbon and equivalent to conventional ozone-based AOPs. Via a series of batch reactions, we observ a strong correlation between *OH formation and MWCNT surface oxygen concentrations. Results suggest that deprotonated carboxyl groups on the CNT surface are integral to their reactivity toward ozone and corresponding *OH formation. From a practical standpoint, we show that industrial grade MWCNTs exhibit similar *OH production as their research

  13. Characterization of failure modes in deep UV and deep green LEDs utilizing advanced semiconductor localization techniques.

    SciTech Connect

    Tangyunyong, Paiboon; Miller, Mary A.; Cole, Edward Isaac, Jr.

    2012-03-01

    We present the results of a two-year early career LDRD that focused on defect localization in deep green and deep ultraviolet (UV) light-emitting diodes (LEDs). We describe the laser-based techniques (TIVA/LIVA) used to localize the defects and interpret data acquired. We also describe a defect screening method based on a quick electrical measurement to determine whether defects should be present in the LEDs. We then describe the stress conditions that caused the devices to fail and how the TIVA/LIVA techniques were used to monitor the defect signals as the devices degraded and failed. We also describe the correlation between the initial defects and final degraded or failed state of the devices. Finally we show characterization results of the devices in the failed conditions and present preliminary theories as to why the devices failed for both the InGaN (green) and AlGaN (UV) LEDs.

  14. Recent advances in sample preparation techniques and methods of sulfonamides detection - A review.

    PubMed

    Dmitrienko, Stanislava G; Kochuk, Elena V; Apyari, Vladimir V; Tolmacheva, Veronika V; Zolotov, Yury A

    2014-11-19

    Sulfonamides (SAs) have been the most widely used antimicrobial drugs for more than 70 years, and their residues in foodstuffs and environmental samples pose serious health hazards. For this reason, sensitive and specific methods for the quantification of these compounds in numerous matrices have been developed. This review intends to provide an updated overview of the recent trends over the past five years in sample preparation techniques and methods for detecting SAs. Examples of the sample preparation techniques, including liquid-liquid and solid-phase extraction, dispersive liquid-liquid microextraction and QuEChERS, are given. Different methods of detecting the SAs present in food and feed and in environmental, pharmaceutical and biological samples are discussed.

  15. POC-SCALE TESTING OF AN ADVANCED FINE COAL DEWATERING EQUIPMENT/TECHNIQUE

    SciTech Connect

    B.K. PAREKH; D. TAO; J.G. GROPPO

    1998-02-03

    The main objective of the proposed program is to evaluate a novel surface modification technique, which utilizes the synergistic effect of metal ions-surfactant combination, for dewatering of ultra-fine clean coal on a proof-of-concept scale of 1 to 2 tph. The novel surface modification technique developed at the UKCAER will be evaluated using vacuum, centrifuge, and hyperbaric filtration equipment. Dewatering tests will be conducted using the fine clean-coal froth produced by the column flotation units at the Powell Mountain Coal Company, Mayflower Preparation Plant in St. Charles, Virginia. The POC-scale studies will be conducted on two different types of clean coal, namely, high-sulfur and low-sulfur clean coal. The Mayflower Plant processes coals from five different seams, thus the dewatering studies results could be generalized for most of the bituminous coals.

  16. Head up and head mounted display performance improvements through advanced techniques in the manipulation of light

    NASA Astrophysics Data System (ADS)

    Wisely, Paul L.

    2009-05-01

    Since their introduction a number of years ago, head up and helmet mounted displays have undergone continuous and intensive development in aerospace applications. To date, the designs have been performed using geometric optic design techniques and have progressed to the point where very little further improvement in their characteristics is possible. This paper describes a display realised by the use of new optical design techniques based on wave-guiding principles that have enabled substantial further significant improvements to be made. These improvements are not only in respect of size, weight and volume for a given optical performance, but also in the optical characteristics that currently limit the usability of such displays in many applications. Displays that have been realised and tested through these methods are described and their performance in laboratory and flight trials discussed, together with considerations for further progress in their development.

  17. Temperature and pressure measurement techniques for an advanced turbine test facility

    NASA Technical Reports Server (NTRS)

    Pollack, F. G.; Cochran, R. P.

    1980-01-01

    A high pressure, high-temperature turbine test facility constructed for use in turbine cooling research is described. Several recently developed temperature and pressure measuring techniques are used in this facility. The measurement techniques, their status, previous applications and some results are discussed. Noncontact surface temperature measurements are made by optical methods. Radiation pyrometry principles combined with photoelectric scanning are used for rotating components and infrared photography for stationary components. Contact (direct) temperature and pressure measurements on rotating components are expected to be handled with an 80 channel rotary data package which mounts on and rotates with the turbine shaft at speeds up to 17,500 rpm. The data channels are time-division multiplexed and converted to digital words in the data package. A rotary transformer couples power and digital data to and from the shaft.

  18. Carrier detection and prenatal diagnosis of hemophilia B with more advanced techniques.

    PubMed

    Caprino, D; Acquila, M; Mori, P G

    1993-12-01

    We used the PCR to amplify three polymorphic regions of Factor IX gene on 35 Italian families: DdeI intron 1, Mn1I exon f, and the polymorphism HhaI located 8 kb at the 3' end of FIX gene. We analyzed the Mn1I and HhaI markers on DGGE and DdeI polymorphism on agarose gel. We reached an informativity of 78% and we found one mutation at codon 145 (exon f) during the screening for Mn1I polymorphism. Furthermore, we performed 16 prenatal diagnoses on chorionic villus samples; five were female and 11 male. Four were uninformative three healthy and one affected male fetus were recognized by PCR techniques, two healthy and one affected fetus by Southern analysis. In three pregnant women examined for the first time during pregnancy, the PCR technique allowed us to perform a rapid diagnosis of noncarrier status, avoiding the fetal sampling procedures.

  19. Advanced techniques for free-space optical quantum cryptography over water

    NASA Astrophysics Data System (ADS)

    Hill, Alexander D.; Christensen, Bradley; Kwiat, Paul G.

    2016-03-01

    Free-space quantum key distribution (QKD) over water (e.g., ship to ship) may be limited by ship motion and atmospheric effects, such as mode distortion and beam wander due to turbulence. We report on a technique which reduces noise by excluding spatial modes which are less likely to contain QKD signal photons and experimentally demonstrate an improvement in QKD key generation rates in various noise and turbulence regimes.

  20. Exploring the theoretical basis of nursing using advanced techniques of concept analysis.

    PubMed

    Morse, J M

    1995-03-01

    In this article, the traditional methods of concept development are critiqued, and alternative methods that use qualitative methods of inquiry are presented. Variations of concept development techniques appropriate to the maturity of the concept being explored are then described, including methods for concept delineation, concept comparison, concept clarification, concept correction, and concept identification. To illustrate the application of concept development methods to nursing theory, a research program to delineate the construct of comfort is described.