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Sample records for volumenselektiver nmr auf

  1. Diffusion effects on volume-selective NMR at small length scales; Diffusionseffekte in volumenselektiver NMR auf kleinen Laengenskalen

    Energy Technology Data Exchange (ETDEWEB)

    Gaedke, Achim

    2009-01-21

    In this thesis, the interplay between diffusion and relaxation effects in spatially selective NMR experiments at short length scales is explored. This is especially relevant in the context of both conventional and mechanically detected MRI at (sub)micron resolution in biological specimens. Recent results on selectively excited very thin slices showed an in-slice-magnetization recovery orders of magnitude faster than the longitudinal relaxation time T1. However, those experiments were run on fully relaxed samples while MRI and especially mechanically detected NMR experiments are typically run in a periodic fashion with repetition times far below T1. The main purpose of this work therefore was to extend the study of the interplay between diffusion and longitudinal relaxation to periodic excitations. In some way, this is inverse phenomenon to the DESIRE (Diffusive Enhancement of SIgnal and REsolution) approach, proposed 1992 by Lauterbur. Experiments on periodically excited thin slices were carried out at a dedicated static field gradient cryomagnet with magnetic field gradients up to 180 T/m. In order to obtain plane slices, an appropriate isosurface of the gradient magnet had to be identified. It was found at a field of 3.8 T with a gradient of 73 T/m. In this field, slices down to a thickness of 3.2 {mu}m could be excited. The detection of the NMR signal was done using FIDs instead of echoes as the excitation bandwidth of those thin slices is sufficiently small to observe FIDs which are usually considered to be elusive to detection in such strong static field gradients. A simulation toolbox based on the full Bloch-Torrey-equation was developed to describe the excitation and the formation of NMR signals under those unusual conditions as well as the interplay of diffusion and magnetization recovery. Both the experiments and the simulations indicate that diffusion effects lead to a strongly enhanced magnetization modulation signal also under periodic excitation

  2. Ein statistisches Modell zum Einfluß der thermischen Bewegung auf NMR-Festkörperspektren

    Science.gov (United States)

    Ploss, W.; Freude, D.; Pfeifer, H.; Schmiedel, H.

    Es wird ein statistisches Modell zum Einfluß der thermischen Bewegung auf die NMR-Linienform vorgestellt, das die Verschmälerung von Festkörper-Spektren bei wachsender Temperatur beschreibt. Das Modell geht von der Annahme aus, daß nach einer Ortsveränderung eines Kerns infolge thermischer Bewegung jede beliebige Kernresonanzfrequenz mit der durch das Festkörperspektrum vorgegebenen Wahrscheinlichkeit angenommen werden kann. Am Beispiel der Festkörper-Gaußlinie wird der Unterschied zu dem bekannten Modell von ANDERSON und WEISS verdeutlicht.Translated AbstractA Statistical Model for the Influence of Thermal Motion on N. M. R. Spectra in SolidsA theory is proposed which allows to describe the narrowing of n. m. r.-line width in the presence of thermal motions of the spins. The model is based on the assumption, that the local resonance frequency of a given spin immediately after the jump is distributed according to the n. m. r.-line shape of the rigid lattice. The difference to the well-known ANDERSON-WEISS-model of spectral narrowing is demonstrated for a gaussian line shape.

  3. NMR

    International Nuclear Information System (INIS)

    Kneeland, J.B.; Lee, B.C.P.; Whalen, J.P.; Knowles, R.J.R.; Cahill, P.T.

    1984-01-01

    Although still quite new, NMR imaging has already emerged as a safe, noninvasive, painless, and effective diagnostic modality requiring no ionizing radiation. Also, NMR appears already to have established itself as the method of choice for the examination of the brain spinal cord (excluding herniated disks). Another area in which NMR excels is in the examination of the pelvis. The use of surface coils offers the promise of visualizing structures with resolution unobtainable by any other means. In addition, NMR, with its superb visualization of vascular structures and potential ability to measure flow, may soon revolutionize the diagnosis of cardiovascular disease. Finally, NMR, through biochemically and physiologically based T/sub 1/ and T/sub 2/ indices or through spectroscopy, may provide a means of monitoring therapeutic response so as to permit tailoring of treatment to the individual patient. In short, NMR is today probably at the same stage as the x-ray was in Roentgen's day

  4. Metallcluster auf dielektrischen Substraten

    OpenAIRE

    Faber, Bernhard

    2011-01-01

    Es wird die Deposition von kleinen Natriumclustern auf einer Ar(001)-Schicht, die auf einer Metallunterlage aufliegt, simuliert. Dabei wird ein hierarchisches Modell aus zeitabhängiger DFT und Molekulardynamik verwendet. Die Valenzelektronen der Natriumatome werden im Kohn-Sham Schema mit Selbstwechselwirkungskorrektur behandelt. Die Wechselwirkung zwischen den Edelgasteilchen und den Natriumionen wird durch Atom-Atom-Potentiale beschrieben und die Ankopplung an die quantenmechanischen Elektr...

  5. Biologische Angriffe auf Mauerwerke

    NARCIS (Netherlands)

    Schober, G.; Kort, H.S.M.; Balen, van K.; Bronswijk, van J.E.M.H.

    1995-01-01

    Zusammenfassung: Biologische Angriffe durch Mauerwerkbewuchs führen zu Schadensbildern, die durch Festigkeitsverlust, Formveränderungen oder Farbveränderungen auf den Oberflächen charakterisiert sind. Allerdings sind nur einige spezialisierte Pflanzen an die extremen Bedingungen dieser Lebensräume

  6. Ein Recht auf Medienkompetenz?

    Directory of Open Access Journals (Sweden)

    Christine Trültzsch-Wijnen

    2017-03-01

    Full Text Available In diesem Beitrag wird ausgehend von der Allgemeinen Erklärung der Menschenrechte bzw. der Universal Declaration of Human Rights (UDHR sowie der UN-Kinderrechtskonvention bzw. der United Nations Convention on the Rights of the Child (UNCRC die Frage nach einem Recht auf Medienkompetenz gestellt. Besonderer Fokus liegt dabei auf der UN-Kinderrechtskonvention, welche die Menschenrechte nicht nur auf die Bedürfnisse Heranwachsender herunterbricht, sondern diesen darüber hinausgehend auch besondere Schutz- und Beteiligungsrechte sowie Rechte auf Entwicklung und Förderung einräumt. Based on the Universal Declaration of Human Rights (UDHR as well as the United Nations Convention on the Rights of the Child (UNCRC this paper questions whether media literacy could be defined as a childrens' right per se. This analysis is particularly focussed on the UNCRC as they transfer the UDHR to the needs of children and adolescents and beyond that acknowledge their special rights of protection, participation and provision.

  7. Views on information literacy / Sichten auf Informationskompetenz

    OpenAIRE

    Hapke, Thomas

    2017-01-01

    Poster (in English and German language) illustrating different views on information literacy. Poster in deutscher und englischer Sprache zur Veranschaulichung verschiedener Sichten auf Informationskompetenz.

  8. Globalisierung der Wirtschaft : Auswirkungen auf lokale Unternehmen

    OpenAIRE

    Greve, Rolf

    2000-01-01

    Inhalt: 1 Globalisierung der Wirtschaft; 1.1 Die Globalisierung als Prozeß; 1.2 Gründe für die fortschreitende Globalisierung; 1.3 Eine wirtschaftswissenschaftliche Interpretation der Globalisierung; 2 Auswirkungen der Globalisierung auf lokale Unternehmen; 2.1 Betroffenheit des Mittelstandes; 2.2 Erfahrungen mit der Globalisierung – Zwei Beispiele; 3 Strategien für den Mittelstand als Antwort auf die Globalisierung; 3.1 Strategie der Hidden Champions; 3.2 Strategie der Kooperation

  9. NMR imaging

    International Nuclear Information System (INIS)

    Andrew, E.R.

    1983-01-01

    Since hydrogen is the most abundant element in all living organisms, proton NMR lends itself well as a method of investigation in biology and medicine. NMR imaging has some special advantages as a diagnostic tool: no ionizing radiation is used, it is noninvasive; it provides a safer means of imaging than the use of x-rays, gamma rays, positrons, or heavy ions. In contrast with ultrasound, the radiation penetrates the bony structures without attenuation. In additional to morphological information, NMR imaging provides additional diagnostic insights through relaxation parameters, which are not available from other imaging methods. In the decade since the first primitive NMR images were obtained, the quality of images now obtained approaches those from CT x-ray scanners. Prototype instruments are being constructed for clinical evaluation and the first whole-body scanners are beginning to appear on the market at costs comparable to CT scanners. Primary differences in equipment for conventional NMR and NMR imaging are the much larger aperture magnets that are required for the examination of human subjects and the addition of coils to generate field gradients and facilities for manipulating the gradients. Early results from clinical trials in many parts of the world are encouraging, and in a few years, the usefuleness of this modality of medical imaging to the medical profession in diagnosis and treatment of disease will be defined. 10 figures

  10. Historismus in der Erwachsenenbildung und auf Reisen

    OpenAIRE

    Glaubitz, Gerald

    2008-01-01

    Historismus in der Erwachsenenbildung und auf Reisen This article deals with the area of adult education in connection with educational trips, a topic painfully neglected by the didactics of history so far. After outlining the latest developments in research and the relevance of the object of research, the dimension of the concept of 'histourism' will be examined more closely. A short but clear distinction from other academic disciplines such as tourism research or pedagogy of travelling w...

  11. Compact NMR

    Energy Technology Data Exchange (ETDEWEB)

    Bluemich, Bernhard; Haber-Pohlmeier, Sabina; Zia, Wasif [RWTH Aachen Univ. (Germany). Inst. fuer Technische und Makromolekulare Chemie (ITMC)

    2014-06-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  12. Macht auf das Tor! - Opens the gate!

    Directory of Open Access Journals (Sweden)

    Claudemir de Quadros

    2011-09-01

    Full Text Available Macht auf das Tor! (Abra o portão foi publicado, possivelmente, na primeira metade do século 20. Editado por Max Dirkschneider, Raimund Heuler e Felix Oberborbeck, apresenta músicas, rimas, piadas, jogos e canções.A edição apresentada nesse espaço é de um livro que pertence à família de Carolina Drebes, estudante do curso de Pedagogia do Centro Universitário Franciscano, Santa Maria/RS.

  13. Auf dem Weg zur Digitalen Bibliothek

    OpenAIRE

    Degkwitz, Andreas; Frank, Nina; Hendrix, Imma; Pfeifenberger, Regina; Tollkühn, Katharina

    2013-01-01

    Nichts hat den Lebensalltag in den vergangenen zwanzig Jahren mehr verändert als das Internet, das uns mit Handys, Laptops, Net- und Notebooks, Smartphones und Tablet-PCs allgegenwärtig begleitet. Das iPhone bietet den permanenten Zugang zu weltweit verfügbarer Information in der Westentasche und hat damit einen völlig neuen Umgang mit Interaktion und Informationsrecherche herbeigeführt. Der tief greifende Wandel hat sich massiv auf die Weiterentwicklung der Serviceprofile wissenschaftl...

  14. NMR imaging

    International Nuclear Information System (INIS)

    Ouchi, Toshihiro; Steiner, R.E.

    1984-01-01

    Three epidermoid and two dermoid tumours, pathologically proven, were examined by NMR and CT scans. Although most brain tumours have a low signal with a long T 1 , a dermoid cyst and one of the two components of the other dermoid tumour had a high signal and therefore a short T 1 . All three epidermoid tumours had a low signal and a long T 1 . Because of the high level contrast between some of the tumours and cerebrospinal fluid, NMR is helpful to detect the lesion. Neither of the liquid fluid levels in the tumour cysts or floating fat in the subarachnoid space was recognized in one patients, but the fine leakage of the content from the epidermoid cyst into the lateral ventricle was detected on a saturation recovery 1000 image in one case. (author)

  15. Wirksamkeit der Hypnose auf Schmerzen bei Erwachsenen: systematische Literaturreview

    OpenAIRE

    Pfaffen, Céline; Z`Brun-Schnyder, Silvia

    2018-01-01

    Das Ziel dieser systematischen Literaturreview ist es, die Wirksamkeit der Hypnose auf Schmerzen bei Erwachsenen zu überprüfen. Daraus ergibt sich folgende Forschungsfrage: "Wie wird die Wirksamkeit der Hypnose auf Schmerzen bei Erwachsenen in der wissenschaftlichen Literatur beschrieben?"

  16. NMR spectroscopy

    International Nuclear Information System (INIS)

    Gruenert, J.

    1989-01-01

    The book reviews the applications of NMR-spectroscopy in medicine and biology. The first chapter of about 40 pages summarizes the history of development and explains the chemical and physical fundamentals of this new and non-invasive method in an easily comprehensible manner. The other chapters summarize diagnostic results obtained with this method in organs and tissues, so that the reader will find a systematic overview of the available findings obtained in the various organ systems. It must be noted, however, that ongoing research work and new insight quite naturally will necessitate corrections to be done, as is the case here with some biochemical interpretations which would need adjustment to latest research results. NMR-spectroscopy is able to measure very fine energy differences on the molecular level, and thus offers insight into metabolic processes, with the advantage that there is no need of applying ionizing radiation in order to qualitatively or quantitatively analyse the metabolic processes in the various organ systems. (orig./DG) With 40 figs., 4 tabs [de

  17. Der Einfluss der Digitalisierung auf die Organisation eines Unternehmens

    Science.gov (United States)

    Walter, Wolfram M.

    Die Digitalisierung schreitet mit großen Schritten voran. Dies wirkt sich nicht nur auf die Gesellschaft im Grundsatz, sondern auch auf das Verhalten der Kunden aus. Neue Kommunikationswege beschleunigen die Interaktion zwischen Unternehmen und Verbraucher. Im Vergleich mit großen Internetfirmen werden etablierte Dienstleistungsunternehmen - vom Energieversorger bis zu Versicherungen - stark unter Druck gesetzt, sich noch intensiver mit dem Kundenservice auseinanderzusetzen. Dies wird nur möglich sein, wenn sich die Organisationen entsprechend positionieren und sich frühzeitig auf die Veränderungen einstellen. Hieraus ergeben sich mehr Chancen als Risiken, zumal es nicht nur neue Prozesse, sondern auch neue Berufsbilder geben wird.

  18. Ein Ausblick auf Supply-Chain-Management im Jahr 2016

    DEFF Research Database (Denmark)

    Wieland, Andreas

    2016-01-01

    Wie sieht Supply-Chain-Management im Jahr 2016 aus? Was erwartet uns? Vieles deutet darauf hin, dass SCM in Zukunft sogar noch mehr auf den Kunden gerichtet sein könnte als bisher.......Wie sieht Supply-Chain-Management im Jahr 2016 aus? Was erwartet uns? Vieles deutet darauf hin, dass SCM in Zukunft sogar noch mehr auf den Kunden gerichtet sein könnte als bisher....

  19. NMR of lignins

    Science.gov (United States)

    John Ralph; Larry L. Landucci

    2010-01-01

    This chapter will consider the basic aspects and findings of several forms of NMR spectroscopy, including separate discussions of proton, carbon, heteronuclear, and multidimensional NMR. Enhanced focus will be on 13C NMR, because of its qualitative and quantitative importance, followed by NMR’s contributions to our understanding of lignin...

  20. Die Energiesicherheit Europas in Bezug auf Erdgas und die Auswirkungen einer Kartellbildung im Gassektor

    OpenAIRE

    Krämer, Luis-Martín

    2011-01-01

    Die Dissertation untersucht die aktuelle Sicherheit der europaeischen Erdgasversorgung. Sie beruecksichtigt zudem die moeglichen Auswirkungen einer Kartellbildung auf die europaeische Gasversorgungssicherheit. Die Arbeit besteht aus einer detaillierten empirischen Studie und darauf aufbauender Szenarioanalyse. Hierzu wird auf den Interdependenzansatz von Robert O. Keohane und Joseph Nye zurueckgegriffen. Zur Darstellung des komplexen Themenbereichs wird auf die Darstellungspraxis der Dichten ...

  1. Der Effekt von Hohlraumströmung auf den Druckausgleich

    NARCIS (Netherlands)

    Bentum, van C.A.; Suma, A.B.; Kalkman, I.M.; Koster, T.; Geurts, C.P.W.; Ruscheweyh, xx

    2011-01-01

    KURZFASSUNG. Hinterlüftete Fassaden sind ein häufig verwendetes System der Verkleidung. Auf der Vorderseite eines Hohlraums wird eine durchlässige äußere Schichtangebracht. Über den Raum selbst wird ein Druckausgleich zwischen der Außenseite und der Innenseite des Hohlraums erzielt. Dieser Effekt

  2. NMR-CT scanner

    International Nuclear Information System (INIS)

    Kose, Katsumi; Sato, Kozo; Sugimoto, Hiroshi; Sato, Masataka.

    1983-01-01

    A brief explanation is made on the imaging methods for a practical diagnostic NMR-CT scanner : A whole-body NMR-CT scanner utilizing a resistive magnet has been developed by Toshiba in cooperation with the Institute for Solid State Physics, the University of Tokyo. Typical NMR-CT images of volunteers and patients obtained in the clinical experiments using this device are presented. Detailed specifications are also shown about the practical NMR-CTs which are to be put on the market after obtaining the government approval. (author)

  3. NMR imaging and pharmaceutical sciences

    International Nuclear Information System (INIS)

    Beall, P.T.; Good, W.R.

    1986-01-01

    Described is the technique of NMR-imaging in diagnostic medicine. Proton and phosphorus NMR in diagnosis of abnormal tissue pathology. Discussed is the value of NMR to the pharmaceutical sciences. NMR may play an important role in monitoring the response of tissues to drugs, determining the localization of drugs, performing real time pharmacokinetics and testing the use of NMR contrast pharmaceuticals

  4. Lectures on pulsed NMR

    International Nuclear Information System (INIS)

    Pines, A.

    1988-08-01

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 32 refs., 56 figs

  5. Lectures on pulsed NMR

    International Nuclear Information System (INIS)

    Pines, A.

    1986-09-01

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 55 figs

  6. Zur Wirkung hoher Temperaturen auf vorratsschädliche Insekten

    OpenAIRE

    Adler, Cornel

    2008-01-01

    Vorratsschädliche Insekten sind Spezialisten, die in der Lage sind, trockene pflanzliche Materialien aufzuspüren, zu besiedeln und damit über die Befeuchtung durch Respiration dem Abbau durch weitere Organismen (Pilze, Milben, Bakterien) zuzuführen. Auf diese Weise sind sie die Auslöser eines Kompostierungsprozesses. Durch ihr hervorragendes Orientierungsvermögen entlang eines Duftstoffgradienten finden sie sich regelmäßig in Vorratslagern und Gebäuden der Lebens- und Futtermittelverarbeitung...

  7. Produktherkunft und Preis als Einflussfaktoren auf die Kaufentscheidung

    OpenAIRE

    Leitow, Detmar

    2005-01-01

    Vor dem Hintergrund gesättigter und informationsüberlasteter Märkte wird die Bedeutung der regionalen Herkunft von Lebensmitteln für das Konsumentenverhalten diskutiert. Obwohl diesem Produktattribut in wissenschaftlichen Befragungen eine marketingrelevante Bedeutung bescheinigt wird, spiegelt sich die geäußerte Präferenz und Mehrpreisbereitschaft aus Sicht des Einzelhandels häufig nicht im Kaufverhalten wider. Dies deutet auf eine Diskrepanz zwischen der Einstellung und dem Verhalten hin. Zi...

  8. Zahlen und Rechenvorgänge auf unterschiedlichen Abstraktionsniveaus

    Science.gov (United States)

    Rödler, Klaus

    "Das Verständnis geht langsam vor sich!" Diesen wichtigen Satz hörte ich bei einem Vortrag von Martin Lowsky. Auf die hier behandelte Fragestellung übertragen heißt das: Was eine Zahl ist und wie ich sie im Rechenvorgang einsetzen und interpretieren kann, das erschließt sich erst allmählich. Die Zahl des Rechenanfängers ist nicht dieselbe wie die des kompetenten Rechners und es ist nicht die Zahl des Lehrers oder der Lehrerin. Die Zahlen sind nur auf der Oberfläche der Worte und Zeichen gleich. Im Innern, im Verständnis, sind sie völlig verschieden! Ich glaube, dass die Missachtung dieser Divergenz dazu führt, dass manche Kinder in für den Lehrer und Lehrerin nicht nachvollziehbaren Routinen stecken bleiben, einfachste Informationen nicht wirklich integrieren. Die auf beiden Seiten wachsende Verunsicherung durch die nicht erkannte und daher nicht kommunizierbare Diskrepanz im inneren Zahlkonzept stört den allmählichen Aufbau strukturierter Zahlvorstellungen.

  9. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.O.; Sutton; Ell, P.

    1986-01-01

    The object of this book is to discuss and evaluate an area of Nuclear Magnetic Resonance which to date has been less emphasized than it might be, namely the use of NMR for functional studies. The book commences with a discussion of the areas in which the NMR techniques might be needed due to deficiencies in other techniques. The physics of NMR especially relating to functional measurement are then explained. Technical factors in producing functional images are discussed and the use of paramagnetic substances for carrying out flow studies are detailed. Particular attention is paid to specific studies in the various organs. The book ends with a survey of imaging in each organ and the relation of NMR images to other techniques such as ultrasound, nuclear medicine and X-rays

  10. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.; Ell, P.J.

    1987-01-01

    This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

  11. NMR of unfolded proteins

    Indian Academy of Sciences (India)

    Unknown

    2005-01-03

    Jan 3, 2005 ... covering all the systems, so far discovered.5,7,8,12. With the increasing ... Structural investigations on proteins by NMR are, currently ... rapid analysis of unfolded proteins. ...... and hence help in design of drugs against them.

  12. Theory of NMR probe design

    International Nuclear Information System (INIS)

    Schnall, M.D.

    1988-01-01

    The NMR probe is the intrinsic part of the NMR system which allows transmission of a stimulus to a sample and the reception of a resulting signal from a sample. NMR probes are used in both imaging and spectroscopy. Optimal probe design is important to the production of adequate signal/moise. It is important for anyone using NMR techniques to understand how NMR probes work and how to optimize probe design

  13. Nährwertkennzeichnung und ihr Einfluss auf das Verbraucherverhalten

    DEFF Research Database (Denmark)

    Grunert, Klaus G.; Storcksdieck, Stefan

    2009-01-01

    Nährwertkennzeichnung soll zu einem gesünderen Ernährungsverhalten der Verbraucher beitragen. Um dieses Ziel erreichen zu können, ist es notwendig, dass solche Informationen von den Verbrauchern wahrgenommen, verstanden und in ihren Kaufentscheidungen auch tatsächlich angewendet werden, und dass......, die an prominenter Stelle auf der Vorderseite der Verpackung angebracht werden. Neuere Forschung zeigt, dass die meisten Verbraucher in der Lage sind, solche Informationen korrekt zu verarbeiten, dass aber nur eine Minderheit der Verbraucher dies im Geschäft auch tut. Die entscheidende Frage der...

  14. Microprocessorized NMR measurement

    International Nuclear Information System (INIS)

    Rijllart, A.

    1984-01-01

    An MC68000 CAMAC microprocessor system for fast and accurate NMR signal measurement will be presented. A stand-alone CAMAC microprocessor system (MC68000 STAC) with a special purpose interface sweeps a digital frequency synthesizer and digitizes the NMR signal with a 16-bit ADC of 17 μs conversion time. It averages the NMR signal data over many sweeps and then transfers it through CAMAC to a computer for calculation of the signal parameters. The computer has full software control over the timing and sweep settings of this signal averager, and thus allows optimization of noise suppression. Several of these processor systems can be installed in the same crate for parallel processing, and the flexibility of the STAC also allows easy adaptation to other applications such as transient recording or phase-sensitive detection. (orig.)

  15. Fourier transform NMR

    International Nuclear Information System (INIS)

    Hallenga, K.

    1991-01-01

    This paper discusses the concept of Fourier transformation one of the many precious legacies of the French mathematician Jean Baptiste Joseph Fourier, essential for understanding the link between continuous-wave (CW) and Fourier transform (FT) NMR. Although in modern FT NMR the methods used to obtain a frequency spectrum from the time-domain signal may vary greatly, from the efficient Cooley-Tukey algorithm to very elaborate iterative least-square methods based other maximum entropy method or on linear prediction, the principles for Fourier transformation are unchanged and give invaluable insight into the interconnection of many pairs of physical entities called Fourier pairs

  16. International symposium on NMR spectroscopy

    International Nuclear Information System (INIS)

    The publication consists of 32 papers and presentations from the field of NMR spectroscopy applications submitted to the International Symposium on NMR Spectroscopy held at Smolenice between 29 Sep and 3 Oct, 1980. (B.S.)

  17. Single-sided NMR

    CERN Document Server

    Casanova, Federico; Blümich, Bernhard

    2011-01-01

    Single-Sided NMR describes the design of the first functioning single-sided tomograph, the related measurement methods, and a number of applications. One of the key advantages to this method is the speed at which the images are obtained.

  18. Autonomous driving in NMR.

    Science.gov (United States)

    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. Copyright © 2016 John Wiley & Sons, Ltd.

  19. NMR for chemists and biologists

    CERN Document Server

    Carbajo, Rodrigo J

    2013-01-01

    This book offers a concise introduction to the field of nuclear magnetic resonance or NMR. It presents the basic foundations of NMR in a non-mathematical way and provides an overview of both recent and important biological applications of NMR.

  20. Pharmakobotanische Untersuchungen von Lavendelsorten auf dem Plattensee- Plateau

    Directory of Open Access Journals (Sweden)

    Tóth, Frida

    2014-09-01

    Full Text Available Auf dem Hof Dörgicsei Levendula Major GmbH wurden 9 Lavendelsorten (6 Sorten von Lavandula angustifolia und 3 Sorten von Lavandula x intermedia untersucht. Neben den morphologischen und Wachstumseigenschaften wurden auch Frisch- und Trockengewichte bewertet. Quantitative und qualitative Untersuchungen von den Blüten- und Ätherischöldrogen wurden auch durchgeführt. Die statistische Analyse zeigte signifikant höhere Erträge bei den Sorten L. angustifolia ’Essence Purple’ und L. x intermedia ’Edelweiss’. Gehalt und Zusammensetzung von ätherischem Öl war eindeutig bei der Sorte L. angustifolia ’Ellagance Purple’ am günstigsten.

  1. Der Einfluss des mikrovaskulären Systems auf das Überleben eines Hauttransplantats

    OpenAIRE

    Motsch, Benjamin

    2017-01-01

    Transplantierte Organe benötigen eine zuverlässige Versorgung über das Gefäßsystem. Daher richtet diese Studie ihr Augenmerk darauf, ob eine Hemmung von Thrombozyten, sowohl allein als auch in Kombination mit einem mTOR-Hemmer, einen positiven Effekt auf die Ausprägung der mikrovaskulären Struktur in Hauttransplantaten bei einem allogenen Mausmodell hat. Für die Hauttransplantation wurde die Haut von C57BL6 (H-2b) als Spendertiere auf CBA/J(H-2k) Mäuse übertragen. Auf diese Weise wurde eine v...

  2. Einfluss verschiedener Traubenmost-Konzentrierungsverfahren auf die Weinqualität

    OpenAIRE

    Weber, Dirk

    2006-01-01

    Auf internationaler Ebene wurden seit längerer Zeit Bedeutung und Konsequenzen einer Zulassung „neuer önologischer Verfahren“ erörtert. Seit 1998 führte man diese Diskussion auch in Deutschland. Diese neuen Verfahren setzten internationale Wettbewerber zum Teil bereits erfolgreich ein. Um auf dem internationalen Markt mit diesen Weinen konkurrieren zu können und im Rahmen der Chancen-Gleichheit, kam in der deutschen Weinbranche der Wunsch auf, diese Verfahren auch hier zuzulassen. Eines diese...

  3. NMR, water and plants

    International Nuclear Information System (INIS)

    As, H. van.

    1982-01-01

    This thesis describes the application of a non-destructive pulsed proton NMR method mainly to measure water transport in the xylem vessels of plant stems and in some model systems. The results are equally well applicable to liquid flow in other biological objects than plants, e.g. flow of blood and other body fluids in human and animals. The method is based on a pulse sequence of equidistant π pulses in combination with a linear magnetic field gradient. (Auth.)

  4. Market analysis offshore wind energy; Marktanalyse Windenergie auf See

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2015-07-01

    will implement against the background of high Investment volumes and technical challenges each but usually only a manageable number of projects in Europe per year. The various legal requirements in the area of offshore wind energy, and in particular planning, Licensing and network side should be further coordinated and more interlinked. Considerations are also European regulations and the support systems of our European neighbors. [German] Der Nordsee kommt im Vergleich zur Ostsee aufgrund des verfuegbaren Flaechenangebots ein deutlich groesseres Potenzial zu. Im Vergleich zur Nordsee liegen die erschliessbaren Potenziale der Ostsee allerdings deutlich kuestennaeher, was nicht nur beim Netzanschluss sondern auch beim Bau und Betrieb der Anlagen Effizienzvorteile haben kann. Noch ist unklar, ob die verfuegbaren Flaechen im Kuestenmeer der Ostsee in relevanten Groessenordnung erweitert werden koennen. Der entsprechende Raumplanungsprozess wurde im Jahr 2014 durch Mecklenburg-Vorpommern angestossen. Die Analyse der im Bundesfachplan Offshore festgelegten Cluster, die der Offshore-Netzentwicklungsplan in Zonen fuer die Nord- und Ostsee (1-5) strukturiert, zeigt, dass zumindest in der Ausbauphase bis 2025, ggf. auch bis 2030 die kuestennaeheren Zonen 1 und 2 in Nord- und Ostsee ein ausreichendes Flaechenpotential bieten und zugleich im Hinblick auf einen effizienten und strukturierten Netzausbau erschlossen werden sollten. Der Ausbaupfad bis 2020 ermoeglicht die von der Industrie in Aussicht gestellten Kostendegressionen in Hoehe von ueber 30 Prozent. Die bereits heute erkennbaren Kostensenkungen muessen insofern im Rahmen der Erarbeitung des Ausschreibungsdesigns beruecksichtigt werden. Dies gilt auch fuer die Frage eines optimalen Park- und Anlagendesigns aus energiewirtschaftlicher Sicht. Neben jeweils projektinternen Schwierigkeiten auf Netz- wie auf Windparkseite liegen erhebliche Schnittstellenprobleme zwischen Windpark und Netzanschluss. Dies liegt u.a. an den

  5. Reaktionen auf das Stigma psychischer Erkrankung : Sozialpsychologische Modelle und empirische Befunde

    OpenAIRE

    Rüsch, N

    2010-01-01

    Zusammenfassung. In der jüngeren Forschung zu Stigma und Diskriminierung gewinnt die Frage an Bedeutung, wie Angehörige einer stigmatisierten Minderheit ihre eigene Stigmatisierung wahrnehmen und auf sie reagieren. Aus der sozialpsychologischen Literatur zu anderen Gruppen, etwa ethnischen Minderheiten, liegen gut belegte Modelle zu diesem Thema vor, die bisher jedoch noch kaum auf Menschen mit psychischen Erkrankungen angewandt wurden. Dazu zählen (1) ein Stress-Coping-Modell von St...

  6. Effekte von Xenohormonen auf die limnischen Invertebraten Gammarus fossarum (Crustacea, Amphipoda) und Marisa cornuarietis (Mollusca, Prosobranchia)

    OpenAIRE

    Schirling, Martin

    2005-01-01

    In dieser Arbeit werden Effekte von Xenohormonen auf Gammarus fossarum und Marisa cornuarietis anhand verschiedener Parameter, auf unterschiedlichen biologischen Ebenen dargestellt. In einem Laborexperiment mit G. fossarum, das Grundlage für weitere Untersuchungen im Rahmen dieser Arbeit war, konnte gezeigt werden, dass sich die Stressproteine hsp90 und hsp70 im Laufe der Oocytenreifung gegenläufig verhalten. Sowohl in einem Freilandversuch, bei dem der Einfluss von Kläranlageneinleitern ...

  7. Influence of combustion air guidance on solid matter burnout and on pollutant emissions in grid incinerators; Einfluss der Verbrennungsluftfuehrung auf den Feststoffabbrand und auf das Schadstoffverhalten bei der Hausmuellverbrennung auf dem Rost

    Energy Technology Data Exchange (ETDEWEB)

    Hunsinger, H.; Seifert, H. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Technische Chemie

    2003-07-01

    The contribution investigates the influence of combustion air guidance strategies on process optimisation. In particular, it is investigated if efficient burnout correlates with low pollutant emissions and if the effects are similar or contrary for the different process goals. (orig.) [German] Der Einfluss von Brennstoffqualitaeten, der Ofengeometrie sowie von Feuerungsbetriebsparametern auf die Bildungsraten von Schadstoffen wie PCDD/F und NO{sub x} und auf die Transferraten von Schwermetallen, Chlor- und Schwefelverbindungen aus dem Brennstoffbett ins Rauchgas ist zur Zeit nur ungenuegend bekannt. Besonders die Frage, wie die primaere Forderung nach moeglichst vollstaendigem Ausbrand von Rauchgas und Rostasche mit weiteren Zielen wie niedrige Bildungsraten von Schadstoffen und Inertisierung der Rostasche korreliert, zeigt den Bedarf umfassender systematischer Untersuchungen auf. Im Rahmen dieses Beitrags soll als Beispiel fuer Modifikationen des Verbrennungsprozesses der Einfluss unterschiedlicher Verbrennungsluftfuehrungen auf die aufgefuehrten Optimierungsziele vorgestellt werden. Insbesondere soll der Frage nachgegangen werden, ob ein effizienter Ausbrand mit niedrigen Schadstoffbildungsraten korreliert und ob zwischen den Zielgroessen gleiche oder kontraere Wirkungen auftreten. (orig.)

  8. Nagelbefall kann bei Patienten mit Psoriasis auf eine Enthesiopathie hinweisen.

    Science.gov (United States)

    Castellanos-González, Maria; Joven, Beatriz Esther; Sánchez, Julio; Andrés-Esteban, Eva María; Vanaclocha-Sebastián, Francisco; Romero, Pablo Ortiz; Díaz, Raquel Rivera

    2016-11-01

    Obwohl subklinische Enthesiopathie ein gut etabliertes diagnostisches Merkmal der Psoriasisarthritis (PsA) ist, wird sie häufig übersehen, da viele Patienten asymptomatisch sind. Gäbe es klinische Hinweise auf das Vorliegen einer Enthesiopathie, würde dies den Klinikern die Möglichkeit eröffnen, eine PsA frühzeitig zu diagnostizieren. Es wurde eine monozentrische prospektive Studie mit insgesamt 90 Psoriasis-Patienten durchgeführt, um mittels Ultraschall das Vorliegen von Enthesenanomalien zu untersuchen und eine Korrelation mit dem Befall der Nägel festzustellen. Enthesenanomalien wurden bei 23 Patienten (25,5 %) gefunden, von denen 19 (82,6 %) Nagelbefall aufwiesen. Bei 4 Patienten waren die Nägel nicht betroffen. Enthesiopathie lag bei 31,1 % (19/61) der Patienten mit Onychopathie vor, von den Patienten ohne Nagelbefall litten nur 13,8 % (4/29) an Enthesiopathie (p = 0,07). Zwischen dem Target-NAPSI-Score und dem Vorliegen einer Enthesiopathie bestand eine signifikante Korrelation. Eine signifikante Korrelation bestand darüber hinaus auch zwischen dem Vorliegen einer Enthesiopathie und der Anzahl der betroffenen Nägel (p = 0,035). Klinische Belege für eine Onychopathie können der Schlüssel für die frühe Diagnose einer Enthesiopathie bei Psoriasis-Patienten sein. © 2016 Deutsche Dermatologische Gesellschaft (DDG). Published by John Wiley & Sons Ltd.

  9. Magic Angle Spinning NMR Metabolomics

    Energy Technology Data Exchange (ETDEWEB)

    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.

  10. NMR in clinical practice

    International Nuclear Information System (INIS)

    Smith, F.W.

    1987-01-01

    The development of NMR for clinical use has been complicated by a number of controversies, the largest of these being the question of what is the optimum field strength for proton imaging. Many workers believe that diagnostically useful images can only be produced at high field strength (i.e. 0.5 - 2.0 T), where in fact diagnostically useful images are made using field strengths of as low as 0.02 T. Because the method is more complex than X-ray CT, which relies on the measurement of only one parameter, tissue density, many new users have difficulty in selecting the correct imaging pulse sequence to provide the most useful image for diagnosis. NMR imaging pulse sequence may be selected to produce images of the proton density, T/sub 1/ or T/sub 2/ signals, or combinations of them. When this facility is used, images which are T/sub 1/ or T/sub 2/ weighted can be selected. Inversion-recovery sequences are more appropriate for imaging the abdomen where by selecting a short TR interval the signal from subcutaneous fat, which is the major cause of image artefact in abdominal imaging, is suppressed thereby improving image quality. The use of surface receiver coils, which are applied closely to the area of the body being examined is becoming more widespread and is of particular value when examining the orbits, facial structures, neck, breast, spine and limbs. The use of these coils together with a discussion of patient selection for NMR imaging, image interpretation and data storage follow

  11. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A [INSTM RU at the Department of Chemistry of the University of Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino (Italy); Mattei, G; Mazzoldi, P [Department of Physics, CNISM and University of Padova, via Marzolo 8, 35131 Padova (Italy); Paz, E; Palomares, F J [Instituto de Ciencia de Materiales de Madrid (CSIC), Cantoblanco, 28049 Madrid (Spain); Cavigli, L, E-mail: cesar.dejulian@unifi.it [Department of Physics-LENS, University of Florence, via Sansone 1, 50019 Sesto Fiorentino (Italy)

    2010-04-23

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO{sub 2} matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  12. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    International Nuclear Information System (INIS)

    De Julian Fernandez, C; Novak, R L; Bogani, L; Caneschi, A; Mattei, G; Mazzoldi, P; Paz, E; Palomares, F J; Cavigli, L

    2010-01-01

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO 2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  13. Coupling between magnetic and optical properties of stable Au-Fe solid solution nanoparticles

    Science.gov (United States)

    de Julián Fernández, C.; Mattei, G.; Paz, E.; Novak, R. L.; Cavigli, L.; Bogani, L.; Palomares, F. J.; Mazzoldi, P.; Caneschi, A.

    2010-04-01

    Au-Fe nanoparticles constitute one of the simplest prototypes of a multifunctional nanomaterial that can exhibit both magnetic and optical (plasmonic) properties. This solid solution, not feasible in the bulk phase diagram in thermal equilibrium, can be formed as a nanostructure by out-of-equilibrium processes. Here, the novel magnetic, optical and magneto-optical properties of ion-implanted Au-Fe solid solution nanoparticles dispersed in a SiO2 matrix are investigated and correlated. The surface plasmon resonance of the Au-Fe nanoparticles with almost equicomposition is strongly damped when compared to pure Au and to Au-rich Au-Fe nanoparticles. In all cases, the Au atoms are magnetically polarized, as measured by x-ray magnetic circular dichroism, and ferromagnetically coupled with Fe atoms. Although the chemical stability of Au-Fe nanoparticles is larger than that of Fe nanoparticles, both the magnetic moment per Fe atom and the order temperature are smaller. These results suggest that electronic and magnetic properties are more influenced by the hybridization of the electronic bands in the Au-Fe solid solution than by size effects. On the other hand, the magneto-optical transitions allowed in the vis-nIR spectral regions are very similar. In addition, we also observe, after studying the properties of thermally treated samples, that the Au-Fe alloy is stabilized, not by surface effects, but by the combination of the out-of-equilibrium nature of the ion implantation technique and by changes in the properties due to size effects.

  14. NMR spectroscopy and drug development

    International Nuclear Information System (INIS)

    Craik, D.; Munro, S.

    1990-01-01

    The use of nuclear magnetic resonance (NMR) spectroscopy for structural and conformational studies on drug molecules, the three-dimensional investigation of proteins structure and their interactions with ligands are discussed. In-vivo NMR studies of the effects of drugs on metabolism in perfused organs and whole animals are also briefly presented. 5 refs., ills

  15. NMR in pulsed magnetic field

    KAUST Repository

    Abou-Hamad, Edy; Bontemps, P.; Rikken, Geert L J A

    2011-01-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  16. NMR imaging of osteoarticular pathology

    International Nuclear Information System (INIS)

    Frocrain, L.; Duvauferrier, R.; Gagey, N.

    1987-01-01

    NMR imaging is assuming an increasingly important role in the diagnosis of osteo-articular disorders. Semiological descriptions of the mean pathological disorders of the locomotor system are presented. Some investigation strategies are proposed to compare NMR imaging with other imaging techniques in various pathological states [fr

  17. Nuclear magnetic resonance (NMR) tomography

    International Nuclear Information System (INIS)

    Skalpe, I.O.

    1984-01-01

    A brief survey of the working principle of the NMR technique in diagnostical medicine is given. Its clinical usefulness for locating tumors, diagnosing various other diseases, such as some mental illnesses and multiple sclerosis, and its possibilities for studying biochemical processes in vivo are mentioned. The price of NMR image scanners and the problems of the strong magnetic field around the machines are mentioned

  18. NMR imaging studies of coal

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Z.R.; Zhang, P.Z.; Ding, G.L.; Li, L.Y.; Ye, C.H. [University of Science and Technology, Beijing (China). Dept. of Chemistry

    1996-06-01

    The permeation transportation and swelling behavior of solvents into coal are investigated by NMR imaging using pyridine-d{sub 5} and acetone-d{sub 6}. Images of coal swollen with deuterated solvents illuminate proton distributions of mobile phases within the coal macromolecular networks. More information about the chemical and physical structure of coal can be obtained using NMR imaging techniques.

  19. NMR in pulsed magnetic field

    KAUST Repository

    Abou-Hamad, Edy

    2011-09-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  20. Synthese von analogen Filtern auf einer rekonfigurierbaren Hardware-Architektur mittels eines Genetischen Algorithmus

    Directory of Open Access Journals (Sweden)

    S. Trendelenburg

    2008-05-01

    Full Text Available Rekonfigurierbare Analog-Arrays (FPAAs sind der Versuch, die Vorteile der aus der digitalen Welt bekannten FPGAs (Flexibilität, Entwurfsgeschwindigkeit auch für analoge Anwendungen verfügbar zu machen. Aufgrund der Vielfalt der analogen Schaltungstechnik ist die Abbildung von vorgegebenen Schaltungskonzepten auf eine FPAA-Architektur nicht immer einfach lösbar.

    Diese Arbeit stellt einen neuen Ansatz für die Synthese von Filtern auf einer FPAA-Architektur für zeitkontinuierliche Analogfilter mittels eines Genetischen Algorithmus (GA vor. Anhand eines Matlab-Modells des FPAA, das eine gute übereinstimmung mit Simulationen des FPAA auf Transistorebene aufweist, wurde gezeigt, dass eine große Vielzahl verschiedener Filterstrukturen auf dieser Architektur dargestellt werden kann. Daraufhin wurde ein Genetischer Algorithmus entwickelt, der es erlaubt, aus einer gegebenen Filterspezifikation Konfigurationsdatensätze zu synthetisieren, die den gewünschten Filter auf die FPAA-Architektur abbilden.

  1. Structural Biology: Practical NMR Applications

    CERN Document Server

    Teng, Quincy

    2005-01-01

    This textbook begins with an overview of NMR development and applications in biological systems. It describes recent developments in instrument hardware and methodology. Chapters highlight the scope and limitation of NMR methods. While detailed math and quantum mechanics dealing with NMR theory have been addressed in several well-known NMR volumes, chapter two of this volume illustrates the fundamental principles and concepts of NMR spectroscopy in a more descriptive manner. Topics such as instrument setup, data acquisition, and data processing using a variety of offline software are discussed. Chapters further discuss several routine stategies for preparing samples, especially for macromolecules and complexes. The target market for such a volume includes researchers in the field of biochemistry, chemistry, structural biology and biophysics.

  2. Fundamentals of Protein NMR Spectroscopy

    CERN Document Server

    Rule, Gordon S

    2006-01-01

    NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data pr...

  3. Two dimensional solid state NMR

    International Nuclear Information System (INIS)

    Kentgens, A.P.M.

    1987-01-01

    This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

  4. nmr spectroscopic study and dft calculations of giao nmr shieldings

    African Journals Online (AJOL)

    Preferred Customer

    3Department of Physics, Arts and Science Faculty, Dumlupinar University, Kütahya, ... 1H, 13C NMR chemical shifts and 1JCH coupling constants of .... then estimated using the corresponding TMS shieldings calculated in advance at the same.

  5. Astragal und eiförmige motive auf Stuckdekor der Wandmalerei Sirmiums

    Directory of Open Access Journals (Sweden)

    Rogić Dragana

    2011-01-01

    Full Text Available Im Laufe archäologischer Ausgrabungen 1977 kamen in Sremska Mitrovica, auf der Fundstelle Nr. 56, in einem Gebäude, dessen Grundriss und Typ nicht festgestellt werden konnten, neben anderen Funden auch mehrere Fragmente an Stuckdekoration zutage. In dieser Studie werden ihre Elemente parallel zu ähnlichen Motiven, die auf anderen in Sirmium gefundenen Wandmalereien auftreten, betrachtet. [Projekat Ministarstva nauke Republike Srbije, br. 47018: Viminacium, die römische Stadt und Militärlager - Forschung der materialen und geistigen Hinterlassenschaft mit der Verwendung moderner Technologien: Ferndetektion, Geophysik, GIS Digitalisation und 3D Visualisation

  6. Positive Effekte des Mindestlohns auf Arbeitsplatzqualität und Arbeitszufriedenheit

    OpenAIRE

    Pusch, Toralf; Rehm, Miriam

    2017-01-01

    Über den Zusammenhang zwischen Mindestlöhnen und Änderungen bei der Arbeitsplatzqualität ist bisher wenig bekannt. Nach der Mindestlohneinführung in Deutschland stieg die Arbeitsplatzzufriedenheit insgesamt. Neben höheren Stunden- und Bruttolöhnen und verringerten Arbeitszeiten gibt es als möglichen Grund auch eine arbeitsorganisatorische Aufwertung der Arbeitsplätze. Bei bestehenden Beschäftigungsverhältnissen konnten Hinweise auf Verbesserungen beim Betriebsklima und einer mehr auf Mitarbei...

  7. A contribution to the investigation of the properties of the Au-Fe system

    International Nuclear Information System (INIS)

    Vano, M.; Sitek, J.; Cirak, J.

    1976-01-01

    Moessbauer spectroscopy, an electronic microanalyzer and X-ray diffractometry were used to study the properties of an Au-Fe solid solution during its preparation by installing Fe atoms into the Au matrix by diffusion heating at a temperature from 550 to 850 degC. On the basis of such measurements, the suitable heating temperature was determined at 850 degC; the Debye-Waller factor for Au-Fe is f=0.604+-0.040 and two configurations of Fe atoms in the Au crystal lattice were found. (author)

  8. Gasgenerator-Treibstoff auf der Basis von Ammoniumdinitramid (ADN) und Verfahren zu seiner Herstellung

    OpenAIRE

    Krause, Horst; Schlechtriem, Stefan; Weiser, Volker; Schaller, Uwe; Hürttlen, Jürgen

    2016-01-01

    Es wird ein Gasgenerator-Treibstoff vorgeschlagen, welcher einen monergolen Treibstoff auf der Basis von Ammoniumdinitramid (ADN) und wenigstens ein Lösungsmittel enthält, wobei der Gasgenerator-Treibstoff wenigstens 65 Mass.-% ADN und höchstens 5 Mass.-% Wasser, jeweils bezogen auf die Mischung aus ADN und Lösungsmittel, enthält, und wobei wenigstens ein Lösungsmittel von Ammoniak (NH3) gebildet ist. Der Gasgenerator-Treibstoff ist vorzugsweise im Wesentlichen wasserfrei und enthält keine we...

  9. NMR-based milk metabolomics

    DEFF Research Database (Denmark)

    Sundekilde, Ulrik; Larsen, Lotte Bach; Bertram, Hanne Christine S.

    2013-01-01

    and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR)-based metabolomics trends in milk research, including applications linking...... compounds. Furthermore, metabolomics applications elucidating how the differential regulated genes affects milk composition are also reported. This review will highlight the recent advances in NMR-based metabolomics on milk, as well as give a brief summary of when NMR spectroscopy can be useful for gaining...

  10. Annual reports on NMR spectroscopy

    CERN Document Server

    Webb, Graham A; McCarthy, M J

    1995-01-01

    Over recent years, no other technique has grown to such importance as that of NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and non-specialist alike to become familiar with new applications of the technique in all branches of chemistry, including biochemistry, and pharmaceutics. This volume focuses on theoretical aspects of NMR nuclear shielding and on applications of

  11. Entwicklung und Evaluierung eines auf dem Stellungsfeldermodell basierenden syntaktischen Annotationsverfahrens für Lernerkorpora innerhalb einer Mehrebenen-Architektur mit Schwerpunkt auf schriftlichen Texten fortgeschrittener Deutschlerner

    OpenAIRE

    Doolittle, Seanna

    2008-01-01

    Die Arbeit zeigt exemplarisch die Möglichkeiten, die die Mehrebenen-Korpusarchitektur bei der Annotation von „standard-“ und „nicht standardsprachlichen“ Äußerungen in einem gemeinsamen Korpus bieten. // Konkret beschäftigt sie sich mit der Entwicklung und Evaluierung eines auf dem Stellungsfeldermodell basierenden syntaktischen Annotationsverfahrens für Lernerkorpora, bestehend aus schriftlichen Texten fortgeschrittener Deutschlerner, innerhalb einer Mehrebenen-Architektur. Die Felderannotat...

  12. β-NMR sample optimization

    CERN Document Server

    Zakoucka, Eva

    2013-01-01

    During my summer student programme I was working on sample optimization for a new β-NMR project at the ISOLDE facility. The β-NMR technique is well-established in solid-state physics and just recently it is being introduced for applications in biochemistry and life sciences. The β-NMR collaboration will be applying for beam time to the INTC committee in September for three nuclei: Cu, Zn and Mg. Sample optimization for Mg was already performed last year during the summer student programme. Therefore sample optimization for Cu and Zn had to be completed as well for the project proposal. My part in the project was to perform thorough literature research on techniques studying Cu and Zn complexes in native conditions, search for relevant binding candidates for Cu and Zn applicable for ß-NMR and eventually evaluate selected binding candidates using UV-VIS spectrometry.

  13. NMR Studies of Polymer Nanocomposites

    National Research Council Canada - National Science Library

    Greenbaum, Steve

    2001-01-01

    .... The primary tool is pulsed field gradient NMR. A static field gradient method was developed which makes possible variable pressure diffusion measurement, and the application to the important fuel cell membrane NAFION constitute the first results...

  14. Integrative NMR for biomolecular research

    International Nuclear Information System (INIS)

    Lee, Woonghee; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R.; Tonelli, Marco; Westler, William M.; Butcher, Samuel E.; Henzler-Wildman, Katherine A.; Markley, John L.

    2016-01-01

    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 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 http://pine.nmrfam.wisc.edu/integrative.html ).

  15. Integrative NMR for biomolecular research

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Woonghee, E-mail: whlee@nmrfam.wisc.edu; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R.; Tonelli, Marco; Westler, William M.; Butcher, Samuel E.; Henzler-Wildman, Katherine A.; Markley, John L., E-mail: markley@nmrfam.wisc.edu [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison and Biochemistry Department (United States)

    2016-04-15

    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 http://pine.nmrfam.wisc.edu/download{sub p}ackages.html ), and detailed instructions are available from the Integrative NMR Video Tutorial page ( http://pine.nmrfam.wisc.edu/integrative.html http://pine.nmrfam.wisc.edu/integrative.html ).

  16. Interpretations of NMR images

    International Nuclear Information System (INIS)

    Shi, J.Z.; McFarland, W.D.; Chen, S.S.; Sadhu, V.K.

    1986-01-01

    Two color display schemes are generally considered in medical images: pseudo-color and color composite. Psuedo-color technique maps the intensity means of a single monochrome image into a three dimensional color space, the gray level is thus replaced by the assigned color. Such a psuedo-color assignment is somewhat arbitrary but may be advantageous if the monochrome image is composed of simple intensity patterns. A good example of psuedo-color application is in nuclear medicine: The change of gray levels can be simply determined and the isocounts from two regions with different surroundings can be readily recognized. However, the use of psuedo-color in CT or MR imaging is controversial because it does not give additional information and may exaggerate insignificant gray scale differences. The color composite technique maps three parametric image data into a three dimensional color space, and thus three monochrome images are merged to form a single color image. The color composite technique increases the number of ways information can be displayed and provides both quantitative and qualitative data about the object or event represented. This paper describes the application of color composite in NMR images

  17. NMR characterization of thin films

    Science.gov (United States)

    Gerald II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2010-06-15

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  18. NMR imaging of cerebral infarction

    International Nuclear Information System (INIS)

    Takusagawa, Yoshihiko; Yamaoka, Naoki; Doi, Kazuaki; Okada, Keisei

    1987-01-01

    One hundred and five patients with cerebral infarction were studied by nuclear magnetic resonance (NMR) CT (resistive type of magnet with strength of 0.1 tesla) and X-ray CT. Pulse sequences used saturation recovery (Tr = 600 mSec), Inversion recovery (Tr = 500 mSec, Td = 300 mSec) and spin echo (Tr = 1500 mSec, Te = 40, 80, 120, 160 mSec). Fifteen cases were examined by NMR-CT within 24 hours from onset. Proton NMR imaging could not detect cerebral ischemia as early as 2 hours after onset, but except could detect the lesions in Se image the area of cerebral infarct 3 hours after onset. After 5 hours from onset image changes in SE were evident and corresponded to the area of cerebral infarct, but image changes in IR could not fully delineate the infarcted area. NMR images of 41 year-old woman with cerebral embolism by MCA trunck occlusion associated with mitral stenosis were presented, and NMR-CT was examined 10 hours, 9th and 43th days after episode of MCA occlusion. Sixty patents (64 times) with lacunar infarction were studied by NMR-CT and X-ray CT. The inversion recovery images were used mainly for detection of lesions and comparison with X-ray CT. In 160 lesions which were detected by NMR-CT or X-ray CT, could 156 lesions be detected by NMR-CT and 78 lesions by X-ray CT. Inversion recovery images were more useful for detection of lacunes than X-ray CT. Calculated T1 and T2 values prolonged with time course from onset. (author)

  19. Optical pumping and xenon NMR

    International Nuclear Information System (INIS)

    Raftery, M.D.

    1991-11-01

    Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping 129 Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the 131 Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen

  20. NMR characterization of thin films

    Science.gov (United States)

    Gerald, II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2008-11-25

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  1. [Heinz von zur Mühlen. Auf den Spuren einiger revlaer Firmen und Familien] / Paul Kaegbein

    Index Scriptorium Estoniae

    Kaegbein, Paul

    2007-01-01

    Arvustus: Heinz von zur Mühlen. Auf den Spuren einiger revlaer Firmen und Familien. In : Buch und Bildung im Baltikum. Münster : LIT, 2005, lk. 527-541. Pika tänava majade omanikest alates 17. sajandist - perekonnad Koch, Meyer, Kluge, Ströhm, Wassermann, Glehn, Eggers, Koppelson, Weiss. Nii loob autor pildi Tallinna "firmade ajaloost"

  2. Verbesserung bei Patienten durch den Community Reinforcement Approach: Effekte auf Zufriedenheit und psychiatrische Symptome

    NARCIS (Netherlands)

    Roozen, H.G.; Greeven, P.G.J.; Dijkstra, B.A.G.; Bischof, G.

    2013-01-01

    Patienten mit Suchterkrankungen weisen ein eingeschränktes Wohlbefinden auf. Eine Querschnittsstudie mit einem Prä-Post-Behandlungsdesign wurde durchgeführt, um Behandlungs­effekte des Community Reinforcement Approach (CRA) hinsichtlich Zufriedenheit und psychia­trischer Symptome zu erfassen. Die

  3. Auswirkungen der Zugänglichkeit independenten und interdependenten Selbstwissens auf den Selbstwert

    OpenAIRE

    Birkner, Norbert

    2003-01-01

    In drei Studien werden Befunde vorgelegt, die dafür sprechen, dass der Selbstwert von Personen mit independentem Selbstkonzept anders generiert wird als von Personen mit interdependentem Selbstkonzept, genauer sich aus unterschiedlichen Quellen speist. Innerhalb der drei Untersuchungsstichproben erfolgte die Klassifizierung der differenzierten Selbstkonstruktionen, die idealtypisch in individualistischen und kollektivistischen Kulturen entwickelt werden (Markus & Kitayama, 1991), auf Grundlag...

  4. Treibhausgasemissionen unter Bewässerung und unterschiedlicher Stickstoffdüngungsintensität auf einem Sandboden in Nord-Ost-Deutschland

    OpenAIRE

    Trost, Benjamin

    2015-01-01

    Ziel der Arbeit ist die Gesamtbilanzierung der Treibhausgasemissionen eines Anbausystems unter Bewässerung auf einem Sandboden. Die dazu aufgestellte Treibhausgasbilanz basiert auf langjährigen Datenreihen zu Erträgen und Corg-Vorräten eines Dauerfeldversuchs sowie auf zweijährigen im Feldversuch durchgeführten N2O-Messungen. Die durchgeführten Untersuchungen zum Einfluss der Bewässerung auf die Corg-Vorräte zeigen, dass der Einsatz von mineralischem Stickstoffdünger und Bewässerung auf einem...

  5. Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

    Energy Technology Data Exchange (ETDEWEB)

    Matwiyoff, N.A.

    1983-01-01

    The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs.

  6. Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

    International Nuclear Information System (INIS)

    Matwiyoff, N.A.

    1983-01-01

    The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs

  7. Carbon-13 NMR of flavinoids

    International Nuclear Information System (INIS)

    Agrawal, P.K.

    1989-01-01

    The present book has been written with the objective of introducing the organic chemists with the conceptual and experimental basis required for interpretation of 13 C NMR spectra of a flavonoid and to a discussion of general usefulness of the technique in solving flavonoid structural problem. After a brief general introduction to the essential aspects of flavonoids and 13 C NMR spectroscopy, considerable emphasis has been placed in chapter 2 on the various experimental methods and the interpretation of spectral details which enable individual resonance lines to be associated with the appropriate carbons in a molecule. The whole bulk of the literature, published on 13 C NMR of flavonoids in the major journals upto 1986 alongwith some recent references of 1987 has been classified in several categories such as: flavonoids, isflavonoids, other flavonoids, flavonoid glycosides, chalconoids and flavanoids. Each category constitutes a chapter. Finally the last chapter is devoted largely to a discussion for the differentiation of various categories and subcategories of flavonoids and for the establishment of aromatic substitution pattern in these compounds. It should be emphasized that the book is a data book and only concerned with the actual analysis of 13 C NMR spectra, thus a reasonable familiarity with basic instrumentation of 13 C NMR and general pattern of nuclear chemical shifts has been assumed. (author). refs.; figs.; tabs

  8. NMR investigation of coal extracts

    Energy Technology Data Exchange (ETDEWEB)

    Lang, I; Sebor, G [Ceskoslovenska Akademie Ved, Prague. Hornicky Ustav; Sebor, G Jr; Hajek, M; Mostecky, J [Vysoka Skola Chemicko-Technologicka, Prague (Czechoslovakia)

    1978-07-01

    Proton NMR spectroscopy was used for the evaluation of 10% coal extract solutions in deuterated pyridine. Four types of Czechoslovak coal were analyzed. Agreement was found between the aromaticity of coal extracts calculated from /sup 1/H NMR data using Brown's method and Ladner's and Williams' method and the characterization of an average molecule of the coal extract by the number of non-bridge carbon atoms of aromatic rings, by the overall number of aromatic ring carbon atoms and the number of aromatic rings, determined by the Williams and Ferris methods. The methods for calculating carbon distribution from /sup 1/H NMR data, however, contain some constants theoretically estimated or experimentally found using the method which still remain to be verified.

  9. Two-dimensional NMR spectrometry

    International Nuclear Information System (INIS)

    Farrar, T.C.

    1987-01-01

    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 0 ; an evolution period, t 1 ; and a detection period, t 2

  10. Solid state NMR of materials

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Sharon A; Ferguson, David B; Haw, James F [Texas A and M Univ., College Station, TX (United States). Dept. of Chemistry

    1994-12-31

    In situ NMR experiments are studied, including probe of several structures such as the structures of the organic adsorbates, Broensted acid sites, other nuclei associated with active sites, and other framework sites. The authors report that in the absence of high concentrations of paramagnetic sites or metal particles, high resolution MAS spectra are relatively easy to obtain and interpret. It is also concluded that NMR can measure spatial distributions and rates of diffusion; and are able to characterize equilibrium structures and the frequencies and amplitudes of molecular motion

  11. Präbiotikasupplementation Schwangerer und ihre Wirkung auf die mütterliche und kindliche Darmflora sowie auf ausgewählte fetale Immunparameter - eine randomisierte, doppelblinde, placebo-kontrollierte Pilotstudie

    OpenAIRE

    Shadid, Rania

    2007-01-01

    Diese Studie ist die erste, randomisierte, doppel-blinde, placebo-kontrollierte Langzeitpilotstudie, welche die Wirkung der Präbiotika-Supplementation während der Schwangerschaft auf die Zusammensetzung der mütterlichen und kindlichen Darmmikroflora untersucht. Die Präbiotika-Supplementation im letzten Trimenon der Schwangerschaft zeigte eine gute Verträglichkeit und einen bifidogenen Effekt auf die Darmflora Schwangerer. Im Gegensatz dazu, hatte die Präbiotika-Supplementation keinen signifik...

  12. [Auf Wache für die Nation : Erinnerungen der Weltkriegsagent Juozas Gabrys berichtet (1911-1918)] / Mart Kuldkepp

    Index Scriptorium Estoniae

    Kuldkepp, Mart, 1983-

    2015-01-01

    Arvustus: Auf Wache für die Nation : Erinnerungen der Weltkriegsagent Juozas Gabrys berichtet (1911-1918). Hrsg. von Eberhard Demm und Christina Nikolajew. Verlag Peter Land. Frankfurt am Main u.a. 2013

  13. Push-through Direction Injectin NMR Automation

    Science.gov (United States)

    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...

  14. Der Einfluss von sozialer Ungleichheit und kulturellen Unterschieden auf die Wahrnehmung von finanziellen und Arbeitsplatzrisiken: Überlegungen zur Risikogesellschaft

    OpenAIRE

    Abbott, David; Quilgars, Deborah; Jones, Anwen

    2006-01-01

    Der vorliegende Artikel beruht auf Daten einer Studie, die sich mit der Frage beschäftigt, wie verschiedene soziale und kulturelle Gruppen die Risiken von Einkommens- und Arbeitsplatzverlust wahrnehmen und darauf reagieren. Autoren wie LASH, DOUGLAS und LUPTON betonten die Bedeutung von Gruppenzugehörigkeit und sozialen Kategorien für die Strukturierung der Reaktionsweisen auf verschiedene Risikoarten. Sie sprechen daher lieber von Risikokulturen als von der Risikogesellschaft. Trotzdem erken...

  15. Objektverfolgung durch Fusion von Radar- und Monokameradaten auf Merkmalsebene für zukünftige Fahrerassistenzsysteme

    OpenAIRE

    Liu, Feng

    2010-01-01

    Die vorliegende Arbeit beschreibt eine neuartige Objektverfolgung durch Fusion von Radar- und Monokameradaten auf Merkmalsebene. Dabei werden zuerst die statistischen Fehlermodelle der Sensoren analysiert. Anschließend wird ein neues Assoziationsverfahren auf Basis der PDA-Methodik untersucht. Der Schwerpunkt dieser Arbeit ist die Behandlung der Objektdynmaik mit Hilfe eines adaptiven IMM-Filters. Schließlich wird die Thematik Objektklassifikation sowie Gassenbreiteschätzung beleuchtet.

  16. Einfluss von Thujonen und Omeprazol auf die Aktivität der glatten Muskelzelle im Ileum der Ratte

    OpenAIRE

    Huhnstock, Stefan

    2010-01-01

    Untersucht wurde der Einfluss von Thujonen (α Thujon, αβThujon, natürliches Mischthujon) und Omeprazol auf die Ruheaktivität, den Basaltonus, die pharmakologisch vorstimulierte glatte Muskulatur ,sowie die elektrisch induzierte Kontraktionen und die elektrisch induzierte Relaxation unter nicht-adrenergen nicht-cholinergen Bedingungen an der glatten Muskelzelle im Ileum von Ratten. Auf die Ruheaktivität und den Basaltonus hatten die Substanzen keinen Einfluss. Thujone hatten einen signifikante...

  17. Fourier transform n.m.r. spectroscopy

    International Nuclear Information System (INIS)

    Shaw, D.

    1976-01-01

    This book is orientated to techniques rather than applications. The basic theory of n.m.r. is dealt with in a unified approach to the Fourier theory. The middle section of the book concentrates on the practical aspects of Fourier n.m.r., both instrumental and experimental. The final chapters briefly cover general application of n.m.r., but concentrate strongly on those areas where Fourier n.m.r. can give information which is not available by conventional techniques

  18. NMR investigations of molecular dynamics

    Science.gov (United States)

    Palmer, Arthur

    2011-03-01

    NMR spectroscopy is a powerful experimental approach for characterizing protein conformational dynamics on multiple time scales. The insights obtained from NMR studies are complemented and by molecular dynamics (MD) simulations, which provide full atomistic details of protein dynamics. Homologous mesophilic (E. coli) and thermophilic (T. thermophilus) ribonuclease H (RNase H) enzymes serve to illustrate how changes in protein sequence and structure that affect conformational dynamic processes can be monitored and characterized by joint analysis of NMR spectroscopy and MD simulations. A Gly residue inserted within a putative hinge between helices B and C is conserved among thermophilic RNases H, but absent in mesophilic RNases H. Experimental spin relaxation measurements show that the dynamic properties of T. thermophilus RNase H are recapitulated in E. coli RNase H by insertion of a Gly residue between helices B and C. Additional specific intramolecular interactions that modulate backbone and sidechain dynamical properties of the Gly-rich loop and of the conserved Trp residue flanking the Gly insertion site have been identified using MD simulations and subsequently confirmed by NMR spin relaxation measurements. These results emphasize the importance of hydrogen bonds and local steric interactions in restricting conformational fluctuations, and the absence of such interactions in allowing conformational adaptation to substrate binding.

  19. PSYCHE Pure Shift NMR Spectroscopy.

    Science.gov (United States)

    Foroozandeh, Mohammadali; Morris, Gareth; Nilsson, Mathias

    2018-03-13

    Broadband homodecoupling techniques in NMR, also known as "pure shift" methods, aim to enhance spectral resolution by suppressing the effects of homonuclear coupling interactions to turn multiplet signals into singlets. Such techniques typically work by selecting a subset of "active" nuclear spins to observe, and selectively inverting the remaining, "passive", spins to reverse the effects of coupling. Pure Shift Yielded by Chirp Excitation (PSYCHE) is one such method; it is relatively recent, but has already been successfully implemented in a range of different NMR experiments. Paradoxically, PSYCHE is one of the trickiest of pure shift NMR techniques to understand but one of the easiest to use. Here we offer some insights into theoretical and practical aspects of the method, and into the effects and importance of the experimental parameters. Some recent improvements that enhance the spectral purity of PSYCHE spectra will be presented, and some experimental frameworks including examples in 1D and 2D NMR spectroscopy, for the implementation of PSYCHE will be introduced. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Wirkung mineralischer N-Düngung auf Blatterträge und Scopolamingehalte von Duboisia sp.

    Directory of Open Access Journals (Sweden)

    Oster, Sabine

    2014-09-01

    Full Text Available Duboisia wird als Rohstofflieferant für Scopolamin verwendet. Dieses Tropanalkaloid wird aus dem Blattmaterial von Duboisia Arthybriden gewonnen und dient als Wirkstoff zur Therapie der Reisekrankheit sowie als Ausgangsstoff für partialsynthetische Anticholinergika. Für die effiziente Produktion sind hohe Erträge an Biomasse bei möglichst hohem Wirkstoffgehalt wünschenswert. Eine der abiotischen Einflussgrößen ist die Stickstoffernährung. Der hier beschriebene Freilandversuch stellt den Einfluss von vier unterschiedlich hohen N-Düngungsgaben (0 kg N/ha, 100 kg N/ha, 200 kg N/ha, 100+100 kg N/ha mit Kalkammonsalpeter (KAS auf drei Genotypen dar. Die N-Düngung zeigte keinen Einfluss auf den Scopolamingehalt, jedoch stieg mit erhöhter N-Menge die Biomasse signifikant an.

  1. Exchange bias effect in Au-Fe3O4 nanocomposites

    International Nuclear Information System (INIS)

    Chandra, Sayan; Frey Huls, N A; Phan, M H; Srinath, S; Srikanth, H; Garcia, M A; Lee, Youngmin; Wang, Chao; Sun, Shouheng; 2UB, Universitat de Barcelona, Avenida Diagonal 647, E-08028 Barcelona (Spain))" data-affiliation=" (Departament de Física Fonamental and Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Avenida Diagonal 647, E-08028 Barcelona (Spain))" >Iglesias, Òscar

    2014-01-01

    We report exchange bias (EB) effect in the Au-Fe 3 O 4 composite nanoparticle system, where one or more Fe 3 O 4 nanoparticles are attached to an Au seed particle forming ‘dimer’ and ‘cluster’ morphologies, with the clusters showing much stronger EB in comparison with the dimers. The EB effect develops due to the presence of stress at the Au-Fe 3 O 4 interface which leads to the generation of highly disordered, anisotropic surface spins in the Fe 3 O 4 particle. The EB effect is lost with the removal of the interfacial stress. Our atomistic Monte Carlo studies are in excellent agreement with the experimental results. These results show a new path towards tuning EB in nanostructures, namely controllably creating interfacial stress, and opens up the possibility of tuning the anisotropic properties of biocompatible nanoparticles via a controllable exchange coupling mechanism. (paper)

  2. Spin glass transition in canonical AuFe alloys: A numerical study

    International Nuclear Information System (INIS)

    Zhang, Kai-Cheng; Li, Yong-Feng; Liu, Gui-Bin; Zhu, Yan

    2012-01-01

    Although spin glass transitions have long been observed in diluted magnetic alloys, e.g. AuFe and CuMn alloys, previous numerical studies are not completely consistent with the experiment results. The abnormal critical exponents of the alloys remain still puzzling. By employing parallel tempering algorithm with finite-size scaling analysis, we investigated the phase transitions in canonical AuFe alloys. Our results strongly support that spin glass transitions occur at finite temperatures in the alloys. The calculated critical exponents agree well with those obtained from experiments. -- Highlights: ► By simulation we investigated the abnormal critical exponents observed in canonical SG alloys. ► The critical exponents obtained from our simulations agree well with those measured from experiments. ► Our results strongly support that RKKY interactions lead to SG transitions at finite temperatures.

  3. Electron capture cross-section of Au-Fe complex in silicon

    International Nuclear Information System (INIS)

    Ali, Akbar; Shafi, M; Majid, Abdul

    2006-01-01

    A deep level transient spectroscopy technique is applied to study the capture cross-section of an iron-gold complex. The thermal ionization energy obtained from emission rate data is found to be E c -0.36 eV. The Au-Fe complex is a single defect having a capture cross-section of 2.48x10 -16 cm 2 for electrons which is independent of temperature

  4. Physikalische Grundlagen von chemischen Raman-Sensoren mit Schwerpunkt auf faseroptischen SERS-Sonden

    OpenAIRE

    Viets, Carmen

    2001-01-01

    Faseroptische SERS-Sensoren wurden durch die Beschichtung der Endflächen von optischen Fasern mit rauhen Metallfilmen erzeugt. Zu den verschiedenen Präparationstechniken, die angewendet und verglichen wurden, gehörten das langsame Aufdampfen von Metall-Inselfilmen und das Bedampfen von Nanopartikeln, aufgerauhten oder elektronenlithographisch strukturierten Oberflächen mit Metallfilmen. Der Einfluß der Laserleistung auf die Messungen mit SERS-Sensoren wurde untersucht, und es wurden maximale ...

  5. DIE RECHTSPOSITION DER EHRLICHEN UND UNEHRLICHEN BESITZER IN BEZUG AUF EIGENTÜMER

    Directory of Open Access Journals (Sweden)

    Jadranko Jug

    2017-01-01

    Full Text Available Diese Arbeit beschäftigt sich mit den Problemen, die mit der rechtlichen Stellung ehrlicher und unehrlicher Besitzer im Verhältnis zum Eigentümer verbunden sind, d.h. sie analysiert die Rechte des Besitzers und die Forderungen, welche der Besitzer vom Eigentümer verlangen kann, damit der Besitzer sein Besitz abgibt. Im Gegensatz dazu werden die Rechte und Anforderungen des Eigentümers in Bezug auf ehrliche und unehrliche Besitzer analysiert. In der Praxis entstehen Dilemmas, wie die wesentlichen und vorteilhaften Ausgaben des ehrlichen Besitzers bestimmt werden, welche Voraussetzungen es sind und bis zu welchen Zeitpunkt das Zurückbehaltungsrecht für die Vergütung dieser Ausgaben ausgeübt werden kann, wann die Verjährungsfrist anfängt und von welcher Bedeutung die Bestimmungen des Zivilverfahrensgesetzes in Bezug auf die ungerechte Anreicherung, die Geschäftsführung ohne Anordnung oder das Zurückbehaltungsrecht sind und welche Bestimmungen diese und ähnliche Fragen regeln. Die Antworten auf einige von diesen Dilemmas sind in der Rechtsprechung vorgelegt, weshalb die Analyse und Forschung der Rechtsprechung, insbesondere Entscheidungen des Obersten Gerichtshofs der Republik Kroatien, die grundlegende Methode dieser Arbeit ist. In der Einführung bietet diese Artikel die grundlegenden Merkmale des Begriffs des Besitzens und des Eigentumsbesitzes und die Art und Qualität des Besitzes an, um eine Grundlage für die anschließende Analyse der Rechtsposition des Eigentumsbesitzers in Bezug auf den Eigentümer zu schaffen.

  6. Effects of Au/Fe and Fe nanoparticles on Serratia bacterial growth and production of biosurfactant

    International Nuclear Information System (INIS)

    Liu, Jia; Vipulanandan, Cumaraswamy

    2013-01-01

    The overall objective of this study was to compare the effects of Au/Fe and Fe nanoparticles on the growth and performance of Serratia Jl0300. The nanoparticle effect was quantified not only by the bacterial growth on agar plate after 1 hour interaction with the nanoparticles, but also by its production of a biosurfactant from used vegetable oil. The nanoparticles were prepared using the foam method. The concentrations of the nanoparticles used for the bacterial interaction study were varied from 1 mg/L to 1 g/L. The test results showed that the effect of nanoparticles on the bacterial growth and biosurfactant production varied with nanoparticle type, concentrations, and interaction time with the bacteria. Au/Fe nanoparticles didn't show toxicity to Serratia after short time (1 h) exposure, while during 8 days fermentation Au/Fe nanoparticles inhibited the growth of Serratia as well as the biosurfactant production when the concentration of the nanoparticles was higher than 10 mg/L. Fe nanoparticles showed inhibition effects to bacterial growth both after short time and long time interaction with Serratia, as well as to biosurfactant production when its concentration was higher than 100 mg/L. Based on the trends observed in this study, analytical models have been developed to predict the bacterial growth and biosurfactant production with varying concentrations of nanoparticles. - Highlights: • Modeled the effect of nanoparticles on the bacterial growth and biosurfactant production. • Effects of Au/Fe nonoparticles on Serratia Bacterial Growth and Production of Biosurfactant. • Scanning Electron Micrograph of bacteria-nanoparticles interaction

  7. Hoffen auf den guten Willen – von der unverbindlichen Institutionalisierung feministischer Forderungen

    Directory of Open Access Journals (Sweden)

    Maike Bußmann

    2008-11-01

    Full Text Available Nachdem die Protagonistinnen der ersten Frauenbewegung prinzipiell den Zugang in die Institutionen erstritten hatten, wurde seit den 1968ern der Marsch durch die Institutionen angetreten. Diesen untersucht Stefanie Ehmsen für die Vereinigten Staaten und die Bundesrepublik, wobei sie die Unterschiede als Resultat der jeweiligen politischen Traditionen interpretiert. Zwar wartet sie mit gut recherchierten und lesenswerten Fallbeispielen auf, doch das Potential der Analyse wird leider nicht ausgeschöpft.

  8. Der Einfluss von Mixed Emotions auf die Werbewirkung : eine experimentelle Studie

    OpenAIRE

    Bauer, Hans H.; Donnevert, Tobias; Exler, Stefanie; Hobusch, Sonja

    2007-01-01

    Emotionale Appelle haben heutzutage einen festen Platz in der Werbung. Neben rein positiven sowie rein negativen Emotionen werden auch Mixed Emotions verstärkt eingesetzt. Die Erforschung der konsumentenverhaltensrelevanten Wirkungen von Mixed Emotions, die das gleichzeitige oder sequentielle Erleben gegensätzlicher Emotionen bezeichnen, steckt jedoch noch in den Kinderschuhen. In der vorliegenden Studie wird daher der Einfluss von Mixed Emotions auf zentrale psychographische Werbewirku...

  9. Generative Fertigung im Maschinenbau - industrieller 3D-Druck auf dem Weg in die Serienproduktion

    OpenAIRE

    Müller, Bernhard

    2014-01-01

    3D-Druck ist aktuell medial omnipräsent, sein Potential für echte industrielle Anwendungen, v. a. im Maschinenbauumfeld, wird kontrovers diskutiert. Der Vortrag gibt einen fundierten Einblick in den Stand der Technik zum industriellen 3D-Druck (Generative Fertigung , Additive Manufacturing) und zeigt spezifische Potentiale mit industrieller Relevanz auf. Dabei werden ebenso Praxisbeispiele aus heutiger Anwendung in der Industrie gezeigt als auch Zukunftsszenarien für potentielle Anwendungen e...

  10. Electron capture cross-section of Au-Fe complex in silicon

    Energy Technology Data Exchange (ETDEWEB)

    Ali, Akbar; Shafi, M; Majid, Abdul [Advance Materials Physics Laboratory, Department of Physics, Quaid-i-Azam University, Islamabad (Pakistan)

    2006-10-15

    A deep level transient spectroscopy technique is applied to study the capture cross-section of an iron-gold complex. The thermal ionization energy obtained from emission rate data is found to be E{sub c} -0.36 eV. The Au-Fe complex is a single defect having a capture cross-section of 2.48x10{sup -16} cm{sup 2} for electrons which is independent of temperature.

  11. Kamera-basierte Erkennung von Geschwindigkeitsbeschränkungen auf deutschen Straen

    Science.gov (United States)

    Nienhüser, Dennis; Ziegenmeyer, Marco; Gumpp, Thomas; Scholl, Kay-Ulrich; Zöllner, J. Marius; Dillmann, Rüdiger

    An Fahrerassistenzsysteme im industriellen Einsatz werden hohe Anforderungen bezüglich Zuverlässigkeit und Robustheit gestellt. In dieser Arbeit wird die Kombination robuster Verfahren wie der Hough-Transformation und Support-Vektor-Maschinen zu einem Gesamtsystem zur Erkennung von Geschwindigkeitsbeschränkungen beschrieben. Es setzt eine Farbvideokamera als Sensorik ein. Die Evaluation auf Testdaten bestätigt durch die ermittelte hohe Korrektklassifikationsrate bei gleichzeitig geringer Zahl Fehlalarme die Zuverlässigkeit des Systems.

  12. Einfluss von Hypothyreose und Mukoviszidose auf das Ruhe- und Belastungs-EKG

    OpenAIRE

    Gerlach, Julia

    2009-01-01

    Bei Menschen, die an cystischer Fibrose oder auch an einer Hypothyreose erkrankt sind, ist die Beteiligung des Herz-Kreislauf-Systems eine bekannte Komplikation. Ziel dieser Arbeit war, möglicherweise bislang unbekannte Auswirkungen dieser Erkrankungen auf das Belastungs-EKG von Kindern und Jugendlichen zu identifizieren und ggf. zu deuten. Dadurch sollte die Beurteilbarkeit des Belastungs-EKGs bei der Untersuchung der genannten Patientengruppen verbessert werden. Es wurden insgesamt 64 Patie...

  13. Die Auswirkungen von Corporate Social Responsibility und Organisationsstolz auf Mitarbeiter im Kundenkontakt

    OpenAIRE

    Rhein, Miriam Katharina

    2012-01-01

    Corporate Social Responsibility (CSR) leistet nicht nur einen Beitrag zum Wohle verschiedener Stakeholdergruppen, sondern kann sich über die Wahrnehmungen der Mitarbeiter positiv auf den Unternehmenserfolg auswirken. Es kann angenommen werden, dass eine von den Mitarbeitern als glaubwürdig wahrgenommene CSR das Potenzial besitzt, kurzfristige, äußerst intensive positive emotionale sowie längerfristig anhaltende einstellungsbezogene Reaktionen hervorzurufen und dadurch relevante Verhaltensweis...

  14. Effects of Au/Fe and Fe nanoparticles on Serratia bacterial growth and production of biosurfactant

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jia; Vipulanandan, Cumaraswamy, E-mail: cvipulanandan@uh.edu

    2013-10-15

    The overall objective of this study was to compare the effects of Au/Fe and Fe nanoparticles on the growth and performance of Serratia Jl0300. The nanoparticle effect was quantified not only by the bacterial growth on agar plate after 1 hour interaction with the nanoparticles, but also by its production of a biosurfactant from used vegetable oil. The nanoparticles were prepared using the foam method. The concentrations of the nanoparticles used for the bacterial interaction study were varied from 1 mg/L to 1 g/L. The test results showed that the effect of nanoparticles on the bacterial growth and biosurfactant production varied with nanoparticle type, concentrations, and interaction time with the bacteria. Au/Fe nanoparticles didn't show toxicity to Serratia after short time (1 h) exposure, while during 8 days fermentation Au/Fe nanoparticles inhibited the growth of Serratia as well as the biosurfactant production when the concentration of the nanoparticles was higher than 10 mg/L. Fe nanoparticles showed inhibition effects to bacterial growth both after short time and long time interaction with Serratia, as well as to biosurfactant production when its concentration was higher than 100 mg/L. Based on the trends observed in this study, analytical models have been developed to predict the bacterial growth and biosurfactant production with varying concentrations of nanoparticles. - Highlights: • Modeled the effect of nanoparticles on the bacterial growth and biosurfactant production. • Effects of Au/Fe nonoparticles on Serratia Bacterial Growth and Production of Biosurfactant. • Scanning Electron Micrograph of bacteria-nanoparticles interaction.

  15. High resolution NMR theory and chemical applications

    CERN Document Server

    Becker, Edwin D

    1999-01-01

    High Resolution NMR provides a broad treatment of the principles and theory of nuclear magnetic resonance (NMR) as it is used in the chemical sciences. It is written at an "intermediate" level, with mathematics used to augment, rather than replace, clear verbal descriptions of the phenomena. The book is intended to allow a graduate student, advanced undergraduate, or researcher to understand NMR at a fundamental level, and to see illustrations of the applications of NMR to the determination of the structure of small organic molecules and macromolecules, including proteins. Emphasis is on the study of NMR in liquids, but the treatment also includes high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. Careful attention is given to developing and interrelating four approaches - steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The presentation is based on the assumption that the reader has an acquaintan...

  16. Einfluss einer vierstündigen Hypoxieexposition (12,5% O 2) auf die Expression von hypoxie-und stressinduzierbaren Proteinen in Zusammenhang mit Antioxidantien

    OpenAIRE

    Höchst, Katrin

    2009-01-01

    Eine adäquate Sauerstoffversorgung des menschlichen Organismus ist eine essentielle Grundvoraussetzung für die Funktion aller Organe und Körpersysteme. In dieser Arbeit beschäftigen wir uns mit der Auswirkung von Hypoxie auf das Immunsystem, was auch im Sport in Bezug auf Höhentraining von Bedeutung ist. Wir untersuchten den Effekt moderater Hypoxie auf die Regulation von verschiedenen Stressantworten des Immunsystems (oxidativer Burst, Phagozytose, Expression der Hitzschockproteine HSP ...

  17. PVT Degradation Studies: NMR Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Herman M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kouzes, Richard T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-06-06

    Under certain environmental conditions, polyvinyl toluene (PVT) plastic scintillator has been observed to undergo internal fogging. Nuclear magnetic resonance spectroscopy has been used to elucidate the state of water inside the PVT. The deuterium NMR results show that water absorbed by PVT under warm, humid conditions enters several distinct environments, and when the PVT is transferred from incubation to ambient temperature and humidity the water is lost on a time scale of a few hours from these samples. Most of the deuterium NMR peaks can be assigned to bulk liquid water, but almost 35% of the detected signal intensity is contained in a resonance that resembles spectra of water contained in nanometer-scale pores in mesoporous carbon.

  18. NMR imaging of human atherosclerosis

    International Nuclear Information System (INIS)

    Toussaint, J.F.

    1995-01-01

    Diagnosis and prognosis of atherosclerosis can no longer be evaluated with morphological parameters only. A description of atherosclerotic plaque composition is necessary to study the mechanisms of plaque rupture, which depends on collagenous cap and lipid core thicknesses. NMR, as a biochemical imaging technique, allows visualization of these components using T1 contrast (mobile lipids), T2 contrast (cap vs. core), spin density (calcifications), diffusion imaging, 1H and 13C spectroscopy. Today, these imaging sequences allow to study in vitro the effects of interventional techniques such as angioplasty or atherectomy. Clinical investigations begin, which will attempt to develop in vivo microscopy and test the ability of NMR to predict plaque rupture. (author). 13 refs., 7 figs

  19. High resolution NMR in zeolites

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, Anix [INTEVEP, Filial de Petroleos de Venezuela, SA, Caracas (Venezuela). Dept. de Analisis y Evalucion

    1992-12-31

    In this work {sup 29} Si and {sup 27} Al NMR spectroscopy was used to study various types of zeolites. The corresponding spectra were used to measure the Si/Al ratios, to follow chemical modifications induced by acid and hydrothermal treatments, to determine non-equivalent crystallographic sites in highly dealuminated mordenites, and to detect modifications of faujasites due to the insertion of titanium atoms in the lattice. (author) 7 refs., 7 figs., 2 tabs.

  20. High resolution NMR in zeolites

    International Nuclear Information System (INIS)

    Diaz, Anix

    1991-01-01

    In this work 29 Si and 27 Al NMR spectroscopy was used to study various types of zeolites. The corresponding spectra were used to measure the Si/Al ratios, to follow chemical modifications induced by acid and hydrothermal treatments, to determine non-equivalent crystallographic sites in highly dealuminated mordenites, and to detect modifications of faujasites due to the insertion of titanium atoms in the lattice. (author)

  1. Advanced NMR technology for bioscience and biotechnology

    Energy Technology Data Exchange (ETDEWEB)

    Hammel, P.C.; Hernandez, G.; Trewhella, J.; Unkefer, C.J. [Los Alamos National Lab., NM (US); Boumenthal, D.K. [Univ. of Utah, Salt Lake City, UT (US); Kennedy, M.A. [Pacific Northwest National Lab., Richland, WA (US); Moore, G.J. [Wayne State Univ., Detroit, MI (US)

    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.

  2. Solid-state NMR of inorganic semiconductors.

    Science.gov (United States)

    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.

  3. Farbe bekennen – Grüne Bibliotheken auf die Tagesordnung! Vortrag auf dem 103. Deutschen Bibliothekartag, Bremen, 5. Juni 2014

    Directory of Open Access Journals (Sweden)

    Petra Hauke

    2014-12-01

    Full Text Available Was in vielen Ländern bereits im Alltag der Bibliotheken verankert ist, beginnt in Deutschland erst sehr zaghaft: Das Verantwortungsbewusstsein von Bibliotheken für die ökologische Bildung der Gesellschaft und die Konsequenzen daraus für die Bibliothekspraxis. Es ist höchste Zeit, in der deutschen Bibliothekslandschaft publik zu machen, was eine „Grüne Bibliothek“ sein kann – bezogen auf das Gebäude, die Ausstattung, das Management, die Services für die Nutzer. Anhand einer Checkliste wird gezeigt, wie Bibliotheken mit einem „grünen“ Konzept nicht nur selbst etwas für die ökologische Nachhaltigkeit tun können, sondern auch wie sie als Multiplikatoren in den Kommunen, Hochschulen und bei anderen Trägern Einfluss auf das ökologische Verhalten nehmen und damit einen wichtigen Beitrag für unsere Gesellschaft leisten. Bringing environmental awareness to libraries does not necessarily imply huge financial efforts or a big budget. Ecological sustainability is an undervalued aspect of the marketing strategy for libraries which has more impact on clients and on stakeholders than one would expect. Small steps in going green can make a big impact for the library’s image. Little financial input can produce an important marketing outcome. Activities in this field can be developed in cooperation with unpaid partners like non-governmental organisations (NGOs, Friends of the Library groups, library suppliers and, last but not least, the library users. A checklist on how to go green gives an overview of important aspects in planning, construction, and library operations in order to introduce the first “green footsteps”.

  4. Crystal Structure of the N-Terminal RNA Recognition Motif of mRNA Decay Regulator AUF1

    Directory of Open Access Journals (Sweden)

    Young Jun Choi

    2016-01-01

    Full Text Available AU-rich element binding/degradation factor 1 (AUF1 plays a role in destabilizing mRNAs by forming complexes with AU-rich elements (ARE in the 3′-untranslated regions. Multiple AUF1-ARE complexes regulate the translation of encoded products related to the cell cycle, apoptosis, and inflammation. AUF1 contains two tandem RNA recognition motifs (RRM and a Gln- (Q- rich domain in their C-terminal region. To observe how the two RRMs are involved in recognizing ARE, we obtained the AUF1-p37 protein covering the two RRMs. However, only N-terminal RRM (RRM1 was crystallized and its structure was determined at 1.7 Å resolution. It appears that the RRM1 and RRM2 separated before crystallization. To demonstrate which factors affect the separate RRM1-2, we performed limited proteolysis using trypsin. The results indicated that the intact proteins were cleaved by unknown proteases that were associated with them prior to crystallization. In comparison with each of the monomers, the conformations of the β2-β3 loops were highly variable. Furthermore, a comparison with the RRM1-2 structures of HuR and hnRNP A1 revealed that a dimer of RRM1 could be one of the possible conformations of RRM1-2. Our data may provide a guidance for further structural investigations of AUF1 tandem RRM repeat and its mode of ARE binding.

  5. Teaching NMR spectra analysis with nmr.cheminfo.org.

    Science.gov (United States)

    Patiny, Luc; Bolaños, Alejandro; Castillo, Andrés M; Bernal, Andrés; Wist, Julien

    2018-06-01

    Teaching spectra analysis and structure elucidation requires students to get trained on real problems. This involves solving exercises of increasing complexity and when necessary using computational tools. Although desktop software packages exist for this purpose, nmr.cheminfo.org platform offers students an online alternative. It provides a set of exercises and tools to help solving them. Only a small number of exercises are currently available, but contributors are invited to submit new ones and suggest new types of problems. Copyright © 2018 John Wiley & Sons, Ltd.

  6. Dynamic pulsed-field-gradient NMR

    CERN Document Server

    Sørland, Geir Humborstad

    2014-01-01

    Dealing with the basics, theory and applications of dynamic pulsed-field-gradient NMR NMR (PFG NMR), this book describes the essential theory behind diffusion in heterogeneous media that can be combined with NMR measurements to extract important information of the system being investigated. This information could be the surface to volume ratio, droplet size distribution in emulsions, brine profiles, fat content in food stuff, permeability/connectivity in porous materials and medical applications currently being developed. Besides theory and applications it will provide the readers with background knowledge on the experimental set-ups, and most important, deal with the pitfalls that are numerously present in work with PFG-NMR. How to analyze the NMR data and some important basic knowledge on the hardware will be explained, too.

  7. Nitrogen emissions during pyrolysis and combustion; Einfluesse auf die Stickstofffreisetzung bei der Pyrolyse und Verbrennung

    Energy Technology Data Exchange (ETDEWEB)

    Koepsel, R F; Friebel, J; Halang, S [Technische Univ. Bergakademie Freiberg (Germany). Inst. IEC

    1998-09-01

    Reduction of nitric oxide emissions during brown coal combustion is an important contribution to clean utilisation of this very important domestic primary energy source. In modern processes, the nitrogen contained in the fuels is the main source of oxides. The distribution of this nitrogen in the products can be influenced by modifying the degassing parameters especially in the first phase of combustion, i.e. pyrolysis. The heat-up rate, pressure, as well as the genesis and mineral content of the coal were found to be the main influencing paramters. Depending on the fuel characteristics (degree of coalification, concentration of volatile matter, ash composition), the nitrogen released during pyrolysis and the nitrogen retained in the solid residue contribute to the total emissions of nitric oxides in different degrees. (orig.) [Deutsch] Die Verminderung der Stickoxidemission bei der Verbrennung von Braunkohle stellt einen wichtigen Beitrag zur sauberen Verwertung dieses bedeutendsten einheimischen Primaerenergietraegers dar. In modernen Prozessen bildet dabei der im Brennstoff gebundene Stickstoff die Hauptquelle der Oxide. Insbesondere durch Einflussnahme auf die Entgasungsbedingungen waehrend der ersten Phase der Verbrennung - der Pyrolyse - kann die Verteilung dieses Stickstoffes auf die Produkte beeinflusst werden. Als wesentliche Einflussgroessen auf die Einbindung in den verbleibenden Koks und die Freisetzung fluechtiger N-haltiger Gase (HCN, NH{sub 3}) wurden die Aufheizgeschwindigkeit, der Druck und die Mineralsubstanz der Kohle gefunden. Eine wesentliche Einflussgroesse stellt daneben auch die Herkunft der Kohlen dar. In Abhaengigkeit von den Brennstoffeigenschaften (Inkohlungsgrad, Gehalt an fluechtigen Bestandteilen, Aschezusammensetzung) tragen der waehrend der Pyrolyse freigesetzte und der im festen Rueckstand verbleibende Stickstoff in unterschiedlichem Masse zur Gesamtemission an Stickoxiden bei. (orig.)

  8. An Inversion Recovery NMR Kinetics Experiment

    OpenAIRE

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this article will enable instructors to use inversion recovery as a laboratory activity in applied NMR classes and provide research students with a conveni...

  9. Einfluss von abiotischen Faktoren auf Wuchs und Scopolamin-Biosynthese in Duboisia myoporoides.

    Directory of Open Access Journals (Sweden)

    Ullrich, Sophie Friederike

    2014-09-01

    Full Text Available Duboisia ist eine in Australien beheimatete Pflanze aus der Familie der Nachtschattengewächse, die Tropanalkaloide als sekundäre Pflanzeninhaltsstoffe enthält, deren quantitativ und ökonomisch bedeutsamstes Scopolamin ist. Um neue Erkenntnisse hinsichtlich des Einflusses abiotischer Faktoren auf Wuchs und Scopolamin-Biosynthese zu gewinnen, wurden Pflanzen der Art Duboisia myoporoides in Hydrokultur in Klimakammern unter streng kontrollierten Bedingungen angebaut (kalibrierte Einstellungen für Beleuchtungsdauer, Lichtintensität und Temperatur. Wichtige Messgrößen stellten dabei Biomasse und Alkaloidgehalt dar, letzterer gemessen mittels UHPLC und LC-MS.

  10. Zwei Briefe auf Guaraní in Alexander von Humboldts Handschrift

    Directory of Open Access Journals (Sweden)

    Manfred Ringmacher

    2014-12-01

    Full Text Available Gegenstand des Aufsatzes von Manfred Ringmacher sind zwei Briefe auf Guaraní in Alexander von Humboldts Handschrift. Die Originale der Abschriften wurden im Jahr 1800 in der ehemals jesuitisch betreuten Indianersiedlung Santa María la Mayor am Río Uruguay geschrieben und an den Vizekönig des spanischen Vizekönigreichs La Plata gesandt. Sie sind mit einer zeitgenössischen spanischen Übersetzung versehen; außerdem hat Alexander von Humboldt in französischer Sprache noch einige Erläuterungen gegeben.

  11. Öffentliche Wohnraumförderung — auf dem richtigen Weg?

    OpenAIRE

    van Suntum, Ulrich; Gedaschko, Axel; Voigtländer, Michael; Schrooten, Mechthild; Theurl, Theresia

    2016-01-01

    Die hohen Flüchtlingszahlen und die wachsende Nachfrage nach Wohnungen in den Ballungsräumen haben die Politik veranlasst, die lange vernachlässigte öffentliche Wohnraumförderung wieder in den Blick zu nehmen. Um rasch neuen Wohnraum anzubieten, schlagen die Autoren unterschiedliche Maßnahmen vor. Dabei kommt es darauf an, sie effizient auf die Zielgruppe zuzuschneiden. Welche Gewichtung die Objekt- und die Subjektförderung dabei haben sollte, wird unterschiedlich bewertet. Genossenschaften s...

  12. Untersuchungen zum Einfluss einer Air-Liquid-Interphase auf die Differenzierung von Alveolarepithelzellen Typ II

    OpenAIRE

    Sinis, Nektarios

    2003-01-01

    Die Dedifferenzierung der Alveolarepithelzellen Typ II stellt in vitro ein großes Problem dar. Zellen, die länger als 48 Stunden in vitro kultiviert werden tendieren zu einer Dedifferenzierung. Die vorliegende Arbeit stellt ein Air-Liquid-Interphasesystem zur Kultivierung von TypII-Zellen vor. Hierdurch ist es uns gelungen TypII-Zellen über einen Zeitraum von bis zu 14 Tagen in vitro auf einem hohen Grad der Differenzierung zu konservieren. Zellen die nicht so kultiviert wurden zeigten fr...

  13. Beeinflussung des Angebots im Lebensmitteleinzelhandel durch Konsumenteninformationen: Eine Anwendung auf Basis der Theory of Planned Behavior

    OpenAIRE

    Mecking, Rebecca-Ariane

    2015-01-01

    Von Informationen, die Konsumenten z. B. über Kundenkarten dem Lebensmitteleinzelhandel (LEH) mitteilen, können auch sie selber profitieren, indem das Angebot besser an ihre Bedürfnisse angepasst wird. Basierend auf der Theory of Planned Behavior untersucht diese Arbeit, welche Faktoren entscheidend dafür sind, ob ein Konsument dem LEH zum Zwecke der Einflussnahme Informationen mitteilen möchte. Wichtig sind das Bewusstsein um diese Chance und ihre positiven Folgen. Sorgen um die Privatsphäre...

  14. Eröffnung des „Hauses der Astronomie“ auf dem Königsstuhl

    OpenAIRE

    Pössel, Markus; Tschira, Klaus

    2012-01-01

    Mit dem „Haus der Astronomie“ (HdA) auf dem Königsstuhl ist ein neues Zentrum für astronomische Bildungs- und Öffentlichkeitsarbeit in Heidelberg eröffnet. Das Haus der Astronomie ist eine gemeinsame Einrichtung der Max-Planck-Gesellschaft (MPG) und der Klaus Tschira Stiftung unter Beteiligung der Stadt Heidelberg und der Ruperto Carola, deren Zentrum für Astronomie eng mit dem HdA zusammenarbeitet. Ziel des HdA ist es, astronomische Forschung einer breiten Öffentlichkeit in verständlicher Fo...

  15. Emotionalitätsmarker in Kommentaren auf der PEGIDA-Facebook-Seite

    OpenAIRE

    Hintze, Sonja

    2015-01-01

    Das Thema Zuwanderung löst in der Bevölkerung eine Reihe von unterschiedlichen Emotionen aus. Eine politische Bewegung, die unter anderem aufgrund ihrer ablehnenden Haltung gegenüber Zuwanderung in den Medien sehr präsent ist, ist PEGIDA (Patriotischen Europäer gegen die Islamisierung des Abendlandes). PEGIDA ist wie aus dem Nichts im Oktober 2014 in Dresden auf der politischen Bildfläche erschienen und gewann schnell an Zuwachs. Nach einem kurzen Einbruch der Anhängerzahlen nimmt die Zahl de...

  16. Einfluss der Etch-and-Rinse-Technik auf Adper Easy Bond

    OpenAIRE

    Kunstmann, Thorsten

    2011-01-01

    Ziel der vorliegenden Studie war es die Auswirkungen der Etch-and-Rinse-Technik auf die Randqualität von Kompositfüllungen bei Anwendung des selbstätzenden Bondingsystems Adper Easy Bond zu untersuchen. An 64 extrahierten menschlichen Molaren wurden tiefe Klasse-II-Kavitäten präpariert, deren approximale Begrenzung unterhalb der Schmelz-Zement-Grenze lag. Diese wurden in acht Gruppen aufgeteilt, jeweils mit 8 Zähnen pro Gruppe, und mittels verschiedener Bonding-Techniken mit Kompositfüllungen...

  17. Randzonenveränderung beim Bohren und ihre Auswirkung auf Folgebearbeitungsverfahren

    OpenAIRE

    Schmier, Marcus

    2004-01-01

    In der Praxis kommt es bei der spanenden Bearbeitung immer wieder zu großen Standwegunterschieden identischer Werkzeuge bei vordergründig identischen Bearbeitungsrandbedingungen. Insbesondere bei Fertigungsschritten, die das Bohren als Vorbearbeitung erfordern, kommt es gelegentlich zu atypischen Verschleißerscheinungen, die auf das Entstehen einer Neuhärtezone an der Werkstückoberfläche beim Bohren zurückgeführt werden. Grundsätzlich sind Randzonenveränderungen eine Folge der mechanischen un...

  18. Einfluss repetitiver postprandialer Hyperglykämien auf den kardialen Ischämie- und Reperfusionsschaden

    OpenAIRE

    Elbing, Inka Lena

    2008-01-01

    Die vorliegende Arbeit befasste sich daher mit dem Effekt von Acarbose auf die durch Ischämie und Reperfusion verursachten myokardialen Schäden nach Saccharosebelastung bei gesunden Mäusen in vivo. Aus den Ergebnissen dieser Arbeit lässt sich ableiten, dass eine wiederholte postprandiale Hyperglykämie bei nicht - diabetischen Tieren ausreicht, um die durch Ischämie und Reperfusion verursachten Myokardschäden signifikant zu erhöhen. Dies kann durch eine Behandlung mit dem a - Glucosidase - Hem...

  19. NMR in structure-based drug design.

    Science.gov (United States)

    Carneiro, Marta G; Ab, Eiso; Theisgen, Stephan; Siegal, Gregg

    2017-11-08

    NMR spectroscopy is a powerful technique that can provide valuable structural information for drug discovery endeavors. Here, we discuss the strengths (and limitations) of NMR applications to structure-based drug discovery, highlighting the different levels of resolution and throughput obtainable. Additionally, the emerging field of paramagnetic NMR in drug discovery and recent developments in approaches to speed up and automate protein-observed NMR data collection and analysis are discussed. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

  20. NMR spectroscopy using liquid crystal solvents

    CERN Document Server

    Emsley, JW

    2013-01-01

    NMR Spectroscopy using Liquid Crystal Solvents covers the importance of using a liquid crystal solvent in NMR to derive nuclear dipolar spin-spin coupling constants. This book is composed of ten chapters, and begins with a brief description of the features and benefits of liquid crystal in NMR spectroscopic analysis. The succeeding chapters deal with the mode of operation of nuclear spin Hamiltonian for partially oriented molecules and the analysis of NMR spectra of partially oriented molecules, as well as the determination of rigid molecule structure. These topics are followed by discussions

  1. Solution NMR structure determination of proteins revisited

    International Nuclear Information System (INIS)

    Billeter, Martin; Wagner, Gerhard; Wuethrich, Kurt

    2008-01-01

    This 'Perspective' bears on the present state of protein structure determination by NMR in solution. The focus is on a comparison of the infrastructure available for NMR structure determination when compared to protein crystal structure determination by X-ray diffraction. The main conclusion emerges that the unique potential of NMR to generate high resolution data also on dynamics, interactions and conformational equilibria has contributed to a lack of standard procedures for structure determination which would be readily amenable to improved efficiency by automation. To spark renewed discussion on the topic of NMR structure determination of proteins, procedural steps with high potential for improvement are identified

  2. NMR studies of isotopically labeled RNA

    Energy Technology Data Exchange (ETDEWEB)

    Pardi, A. [Univ. of Colorado, Boulder, CO (United States)

    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.

  3. Ligand-receptor Interactions by NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Novak. P.

    2008-04-01

    Full Text Available Today NMR spectroscopy is a method of choice for elucidation of interactions between biomolecules and the potential ligands. Knowledge on these interactions is an essential prerequisite for the rational drug design. The most important contribution of NMR to drug design a few years ago was the 3D structure determination of proteins. Besides delivering the 3D structures of the free proteins as a raw material for the modeling studies on ligand binding, NMR can directly yield valuable experimental data on the biologically important protein-ligand complexes. In addition to X-ray diffraction, NMR spectroscopy can provide information on the internal protein dynamics ordynamics of intermolecular interactions. Changes in NMR parameters allow us to detect ("SAR by NMR" and quantitatively determine binding affinities (titration, diffusion NMR experiments, etc. of potential ligands. Also, it is possible to determine the binding site and conformations of ligands, receptors and receptor-ligand complexes with the help of NMR methods such as tr-NOESY. Epitopes or functional groups responsible for binding of ligands to the receptor can be identified by employing STD or WaterLOGSY experiments. In this review are described some of the most frequent NMR methods for the characterization of the interactions between biomolecules and ligands, together with their advantages and disadvantages.

  4. NMR characterization of pituitary tumors

    International Nuclear Information System (INIS)

    Osbakken, M.; Gonzales, J.; Page, R.

    1984-01-01

    Twelve patients (5 male, 7 female, mean age 37.9 +- 20) with pituitary tumors were extensively evaluated with NMR imaging using a 1.5K gauss resistive magnet. Saturation recovery (SR), inversion recovery (IR) and spin echo (SE) pulse sequences were used for qualitative characterization of the lesions. T/sub 1/ calculations were also performed for brain and pituitary. Tumor histology and endocrine status were correlated with NMR data. All tumors were large with suprasellar extension (6 with prolactin secretion, 6 without). Pituitary T/sub 1/'s ranged from .2 to .64, the mean T/sub 1/ being longer than that of brain (Brain = .4 +- .04; Pit = .48 +- .14). 3 patients with histological evidence of homogeneous adenomas had long T/sub 1/'s (0.58 +- .05). 3 patients with evidence of recent or old hemorhage into the pituitary had much shorter T/sub 1/'s (0.29 +- .12). There was no relationship between prolactin secretion and T/sub 1/. Qualitative T/sub 1/ and T/sub 2/ information can be obtained by using a combination of SR, IR, and SE images. Using this method in the patients, homogeneous adenomas had similar T/sub 1/'s and longer T/sub 2/'s compared to the brain, while patients with bleeds had shorter T/sub 1/'s and T/sub 2/'s. Image T/sub 1/ characteristics correlated well with the calculated T/sub 1/ values. The range of T/sub 1/ (and potentially T/sub 2/) values which occur in apparently similar lesions are most likely due to anatomical and pathophysiological variations in these lesions. It may be ultimately possible to separate different types of pathological processes based on NMR image T/sub 1/ and T/sub 2/ characteristics after careful comparative studies of NMR and histological data are completed. The combination of calculated T/sub 1/ and T/sub 2/ with image T/sub 1/ and T/sub 2/ information may also be useful in further characterization of lesions

  5. Short recovery time NMR probe

    International Nuclear Information System (INIS)

    Ramia, M.E.; Martin, C.A.; Jeandrevin, S.

    2011-01-01

    A NMR probe for low frequency and short recovery time is presented in this work. The probe contains the tuning circuit, diode expanders and quarter wavelength networks to protect the receiver from both the amplifier noise and the coil ringing following the transmitter power pulse. It also possesses a coil damper which is activated by of non active components. The probe performance shows a recovery time of about of 15μs a sensitive Q factor reduction and an increase of the signal to noise ratio of about 68% during the reception at a work frequency of 2 MHz. (author)

  6. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    NARCIS (Netherlands)

    Van Der Schot, Gijs; Bonvin, Alexandre M J J

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on

  7. Ein Märtyrer auf der Zugspitze? Glühbirnenkreuze, Bildpropaganda und andere Medialisierungen des Totenkults um Albert Leo Schlageter in der Weimarer Republik und im Nationalsozialismus

    OpenAIRE

    Fuhrmeister, Christian

    2004-01-01

    Der Beitrag vergleicht die Grundzüge des Totenkults um Albert Leo Schlageter in der Weimarer Republik und im Nationalsozialismus. Der Fokus der Untersuchung liegt auf dem Medieneinsatz, der den nationalsozialistischen Märtyrerkult vom Totengedenken in der Weimarer Republik unterscheidet. Die verschiedenen Ebenen der Medialisierung werden abschließend an einem konkreten Fallbeispiel, dem Schlageter-Gedenken auf der Zugspitze, demonstriert.

  8. Medien und Berufsvorstellungen von Kindern: eine experimentelle Studie zum Einfluss von Kinderbüchern auf das Berufsspektrum von Kindergartenkindern

    OpenAIRE

    Brüggemann, Tim; Gehrau, Volker; Handrup, Jutta

    2015-01-01

    "Der Beitrag thematisiert zunächst den Stand der beruflichen Orientierung von Jugendlichen sowie die pädagogischen Bemühungen beim Übergang Schule-Beruf, insbesondere im Hinblick auf eine Erweiterung des häufig engen Spektrums von Berufen, die bei der Berufswahl berücksichtig werden. Dabei richten sich die Bestrebungen, diesem Problem entgegenzuwirken, bislang vor allem auf Jugendliche. Anschließend wird anhand vorliegender Ergebnisse aus der Medienforschung diskutiert, in welcher Weise Masse...

  9. Impacts from electric railway operation on the power supply system characteristic; Einfluss des elektrischen Bahnbetriebs auf das Tagesbelastungsdiagramm der Energieversorgung

    Energy Technology Data Exchange (ETDEWEB)

    Bogdanov, C. [Militaerhochschule fuer Verkehr ``Todor Kableshkov``, Sofia (Bulgaria)

    1995-12-31

    Some characteristic figures are derived from daily load diagrams of electric railways, analized and compared with those of public power supply load diagram, especially with regard to sharing in base - medium - peak load and in day - night times, and optimizations are proposed. (orig.) [Deutsch] Fuer die Tagesbelastungsdiagramme elektrischer Bahnen werden einige Kennziffern gebildet, analysiert und mit denen des Tagesbelastungsdiagramms der Landesenergieversorgung verglichen, insbesondere hinsichtlich der Verteilung des Bahnenergiebedarfs auf Grund-, Mittel- und Spitzenlast sowie auf die verschiedenen Tages- und Nachtzeitzonen. Daraus werden Optimierungsvorschlaege abgeleitet. (orig.)

  10. 1H-NMR urinalysis

    International Nuclear Information System (INIS)

    Yamamoto, Hideaki; Yamaguchi, Shuichi

    1988-01-01

    In an effort to examine the usefulness of 1 H-nuclear magnetic resonance (NMR) urinalysis in the diagnosis of congenital metabolic disorders, 70 kinds of urinary metabolites were analysed in relation to the diagnosis of inborn errors of amino acid and organic acid disorders. Homogated decoupling (HMG) method failed to analyze six metabolites within the undetectable range. When non-decoupling method (NON), in which the materials are dissolved in dimethyl sulfoxide, was used, the identification of signals became possible. The combination of HMG and NON methods was, therefore, considered to identify all of the metabolites. When the urine samples, which were obtained from patients with hyperglycerolemia, hyperornithinemia, glutaric acidemia type II, or glycerol kinase deficiency, were analysed by using both HMG and NON methods, abnormally increased urinary metabolites were detected. 1 H-NMR urinalysis, if used in the combination of HMG and NON methods, may allow simultanenous screening of inborn errors of metabolism of amino acid and organic acid disorders. (Namekawa, K.)

  11. Review: Eine Replik auf: Schmitt, Rudolf (2011. Review Essay: Rekonstruktive und andere Metaphernanalysen

    Directory of Open Access Journals (Sweden)

    Jan Kruse

    2012-03-01

    Full Text Available udolf SCHMITT ist unbestreitbar ein fundierter Experte im deutschsprachigen Raum im Hinblick auf eine umfassende und fokussierte Metaphernanalyse als ein spezifisches Verfahren der Analyse qualitativer Daten. Mit seiner in FQS erschienenen Rezension zu unserem Buch "Metaphernanalyse. Ein rekonstruktiver Ansatz" wird dies abermals deutlich. SCHMITT ordnet unser Verfahren zur rekonstruktiven Metaphernanalyse in andere sozialwissenschaftliche Metaphernanalysen ein und versucht auf dieser Grundlage, Vor- und Nachteile unseres metaphernanalytischen Zugangs hervorzuheben. Ausgehend von diesem Vergleichshorizont gelingt ihm die Besprechung eines grundlegenden Buches zur Einführung in die sozialwissenschaftliche Metaphernanalyse – welches unser Buch aber weder ist noch vorgibt zu sein. Wir begrüßen seine breit gefächerte Auswahl sozialwissenschaftlicher metaphernanalytischer Zugänge, glauben aber, dass die Zielsetzungen unseres Ansatzes (und unseres Buches in seinem Review-Essay zu sehr in den Hintergrund treten. Wir haben uns daher zu dieser Replik entschlossen, um die "sozialwissenschaftliche Metaphernanalyse" weiter in einem diskursiven Prozess zu halten. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs1202102

  12. Actively controlled current collector; Aktiv geregelter Stromabnehmer. Innovation fuer den schnellen Verkehr auf konventionellen Strecken

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, C.

    2003-07-01

    Deutsche Bahn is presently endeavouring to further improve the interaction between the overhead wire and the current collectors on its locomotives and trainsets. The major factors behind this initiative are cost, quality and noise prevention. The outcome is the development of a completely new type of current collector for high-speed operation even on conventional track. Prototypes have meanwhile undergone practical trials on the 200 km/h line from Augsburg to Donauwoerth. The new current collector is a single-arm pantograph jointly developed by DB and Bombardier Transportation. (orig.) [German] Die Deutsche Bahn versucht derzeit, das Zusammenspiel von Oberleitung und den Stromabnehmern ihrer Lokomotiven und Triebzuege weiter zu verbessern. Kosten, Qualitaet und Laermschutz sind dabei die wesentlichen Gruende. Sie haben zur Entwicklung eines voellig neuen Stromabnehmer-Typus speziell fuer den Hochgeschwindigkeitsverkehr auch auf konventionellen Strecken gefuehrt. Auf der Tempo-200-Strecke von Augsburg nach Donauwoerth absolvierten jetzt Prototypen erste Praxis-Tests. Es handelt sich um aktiv geregelte, akustisch optimierte Einholmstromabnehmer, gemeinsam entwickelt von DB und Bombardier Transportation. (orig.)

  13. Der Einfluss von rechtsgerichtetem Autoritarismus und sozialer Dominanzorientierung auf homophobe Einstellungen

    Directory of Open Access Journals (Sweden)

    Sarah Andrejewski

    2016-06-01

    Full Text Available Das Thema Homophobie geriet seit 2012 verstärkt in das Interesse der Medien. Ursachen waren u.a. die Erlassung homophober Gesetze in Russland, Outings von prominenten Persönlichkeiten wie Fußballspieler und Politiker oder die in Frankreich auftretenden Massendemonstrationen zur Verhinderung der gleichgeschlechtlichen Ehe. Durch das kürzlich stattfindende Attentat in einem beliebten Club der LGBT-Community in Orlando ist das Thema präsenter denn je. Neben Untersuchungen, die aufdecken, welchen Vorurteilen Menschen mit einer homosexuellen Ausrichtung ausgesetzt sind und wie sich diese im Alltag der Betroffenen niederschlagen, suchen vermehrt Studien nach den Gründen dieser Vorurteile. Die vorliegende Arbeit bedient sich dazu etablierter Konzepte aus der Vorurteilsforschung, um diese in einen Zusammenhang mit homophoben Einstellungen und Verhaltensweisen zu bringen. Mithilfe einer Online-Befragung von 249 heterosexuellen Teilnehmern wurde der Einfluss von rechtsgerichteten Autoritarismus (RWA, sozialer Dominanzorientierung (SDO und sozialer Identität (SI auf homophobe Einstellungen ermittelt. Es konnte nachgewiesen werden, dass die untersuchten Variablen negativ auf die Einstellungen der Untersuchungsteilnehmer gegenüber Schwulen und Lesben wirken. Gleichzeitig wurde die Mediatorrolle der sozialen Identität als Identifikation mit der eigenen heterosexuellen Orientierung getestet und nachgewiesen, dass diese als Mediator zwischen RWA, SDO und homophoben Einstellungen fungiert.

  14. Applications of cerebral MRI in neonatology; MRT bei Neugeborenen mit Verdacht auf zerebrale Stoerung

    Energy Technology Data Exchange (ETDEWEB)

    Prayer, D. [Universitaetsklinik fuer Radiodiagnostik, Wien (Austria). Abt. fuer Neuroradiologie; Kuhle, S. [Universitaetsklinik fuer Kinder- und Jugendheilkunde, Wien (Austria). Abt. fuer Neonatologie, angeborene Stoerungen und Intensivmedizin; Blaicher, W. [Abt. fuer Frauenheilkunde und Praenatale Diagnostik, Wien (Germany)

    2000-01-01

    Magnetic resonance tomography (MRT) has become the most important method in the workup of infantile cerebral complications after primary sonography. Cerebral MR examination and image interpretation during the infantile period require extensive knowledge of morphological manifestations, their pathophysiological background, and frequency. The choice of imaging parameters and image interpretation is demonstrated in infarctions and hemorrhages of the mature and immature brain. A review of the main differential diagnoses is also given. The relevance of MR spectroscopy and fetal MRI is discussed. (orig.) [German] Zur Abklaerung zerebraler Veraenderungen bei Neugeborenen hat sich die Magnetresonanztomographie (MRT) als wichtigste weiterfuehrende Methode nach der Sonographie entwickelt. Die Durchfuehrung und Auswertung der MR-Untersuchungen erfordern jedoch eine genaue Kenntnis der morphologischen Manifestation, des pathophysiologischen Hintergrunds und der Haeufigkeit bestimmter zerebraler Komplikationen in diesem Lebensalter. Resuemee: Ausgehend von zerebrovaskulaeren Erkrankungen werden diese Fragen behandelt, wobei sowohl auf die Auswahl der adaequaten Untersuchungsparameter als auch auf die Bildinterpretation und die wichtigsten Differentialdiagnosen eingegangen wird. Die Bedeutung von MR-Spektroskopie und fetaler MRT wird diskutiert. (orig.)

  15. Pediatric radiological diagnostics in suspected child abuse; Kinderradiologische Diagnostik bei Verdacht auf Kindesmisshandlung

    Energy Technology Data Exchange (ETDEWEB)

    Erfurt, C.; Schmidt, U. [Technische Universitaet Dresden, Institut fuer Rechtsmedizin, Medizinische Fakultaet, Dresden (Germany); Hahn, G. [Universitaetsklinikum Carl Gustav Carus, Dresden, Abteilung Kinderradiologie, Institut und Poliklinik fuer Radiologische Diagnostik, Dresden (Germany); Roesner, D. [Universitaetsklinikum Carl Gustav Carus, Dresden, Klinik und Poliklinik fuer Kinderchirurgie, Dresden (Germany)

    2009-10-15

    Advanced and specialized radiological diagnostics are essential in the case of clinical suspicion of pediatric injuries to the head, thorax, abdomen, and extremities when there is no case history or when ''battered child syndrome'' is assumed on the basis of inadequate trauma. In particular, the aim of this sophisticated diagnostic procedure is the detection of lesions of the central nervous system (CNS) in order to initiate prompt medical treatment. If diagnostic imaging shows typical findings of child abuse, accurate documented evidence of the diagnostic results is required to prevent further endangerment of the child's welfare. (orig.) [German] Klinisch diagnostizierte Verletzungen an Kopf, Thorax, Abdomen oder Extremitaeten eines Kindes bei scheinbar leerer Anamnese oder Angabe eines inadaequaten Traumas erfordern beim Verdacht auf ein Battered-Child-Syndrom eine erweiterte und spezialisierte radiologische Diagnostik. Diese soll insbesondere im Bereich des ZNS Verletzungsfolgen erfassen, um therapeutische Massnahmen einleiten zu koennen. Bei typischen, auf eine Misshandlung hinweisenden radiologischen Befunden ist eine praezise beweissichere Befunddokumentation erforderlich, um eine weitere Kindeswohlgefaehrdung zu vermeiden. (orig.)

  16. Early history of NMR at Los Alamos

    International Nuclear Information System (INIS)

    Jackson, J.A.

    1985-11-01

    Nuclear magnetic resonance (NMR) spectroscopy has developed into an important research tool in chemistry. More recently, NMR imaging and in vivo spectroscopy promise to produce a revolution in medicine and biochemistry. Early experiments at Los Alamos led to DOE programs involving stable isotopes of importance to biology and to medicine. These events are briefly recounted. 2 refs

  17. Characterization of natural bentonite by NMR

    International Nuclear Information System (INIS)

    Leite, Sidnei Q.M.; Dieguez, Lidia C.; Menezes, Sonia M.C.; San Gil, Rosane A.S.

    1993-01-01

    Solid state NMR as well as several other instrumental chemical analysis techniques were used in order to characterize two natural occurring bentonite. The methodology is described. The NMR spectra, together with the other used techniques suggest that the observed differences are due to iron inclusions in tetrahedral and octahedral sites

  18. Using Cloud Storage for NMR Data Distribution

    Science.gov (United States)

    Soulsby, David

    2012-01-01

    An approach using Google Groups as method for distributing student-acquired NMR data has been implemented. We describe how to configure NMR spectrometer software so that data is uploaded to a laboratory section specific Google Group, thereby removing bottlenecks associated with printing and processing at the spectrometer workstation. Outside of…

  19. Quartz Crystal Temperature Sensor for MAS NMR

    Science.gov (United States)

    Simon, Gerald

    1997-10-01

    Quartz crystal temperature sensors (QCTS) were tested for the first time as wireless thermometers in NMR MAS rotors utilizing the NMR RF technique itself for exiting and receiving electro-mechanical quartz resonances. This new tool in MAS NMR has a high sensitivity, linearity, and precision. When compared to the frequently used calibration of the variable temperature in the NMR system by a solid state NMR chemical shift thermometer (CST), such as lead nitrate, QCTS shows a number of advantages. It is an inert thermometer in close contact with solid samples operating parallel to the NMR experiment. QCTS can be manufactured for any frequency to be near a NMR frequency of interest (typically 1 to 2 MHz below or above). Due to the strong response of the crystal, signal detection is possible without changing the tuning of the MAS probe. The NMR signal is not influenced due to the relative sharp crystal resonance, restricted excitation by finite pulses, high probeQvalues, and commonly used audio filters. The quadratic dependence of the temperature increase on spinning speed is the same for the QCTS and for the CST lead nitrate and is discussed in terms of frictional heat in accordance with the literature about lead nitrate and with the results of a simple rotor speed jump experiment with differently radial located lead nitrate in the rotor.

  20. NMR studies of the structure of glasses

    International Nuclear Information System (INIS)

    Bray, P.J.; Gravina, S.J.; Stallworth, P.E.; Szu, S.P.; Jianhui Zhong

    1988-01-01

    Earlier continuous wave (CW) NMR studies of chemical bonding and structure in glasses are summarized. Examples are given of this use of the quadrupolar interaction and chemical shift to obtain structural information. New NMR data and analyses are presented for alkali borate and gallate glasses. Extensions to other elements (e.g. molybdenum, lanthanum) are suggested. 44 refs. (author)

  1. An Inversion Recovery NMR Kinetics Experiment

    Science.gov (United States)

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

  2. Selective sensitivity enhancement in FT-NMR

    International Nuclear Information System (INIS)

    Farrar, T.C.

    1987-01-01

    In this article the basic two-spin nuclear magnetic resonance (NMR) experiment and the new sensitivity enhancement experiments are reviewed. In part two of this two-part series an overview of two-dimensional NMR experiments will be presented. Part two will appear in the June 1 issue of Analytical Chemistry

  3. 2D NMR studies of biomolecules

    International Nuclear Information System (INIS)

    Lamerichs, R.M.J.N.

    1989-01-01

    The work described in this thesis comprises two related subjects. The first part describes methods to derive high-resolution structures of proteins in solution using two-dimensional (2-D) NMR. The second part describes 2-D NMR studies on the interaction between proteins and DNA. (author). 261 refs.; 52 figs.; 23 tabs

  4. Synthesis and NMR Elucidation of Novel Pentacycloundecane ...

    African Journals Online (AJOL)

    Herein we report the synthesis and NMR elucidation of five novel pentacycloundecane (PCU)-derived short peptides as potential HIV protease inhibitors. 1H and 13C spectral analysis show major overlapping of methine resonance of the PCU 'cage' thereby making it extremely difficult to assign the NMR signals. Attachment ...

  5. Development and applications of quantitative NMR spectroscopy

    International Nuclear Information System (INIS)

    Yamazaki, Taichi

    2016-01-01

    Recently, quantitative NMR spectroscopy has attracted attention as an analytical method which can easily secure traceability to SI unit system, and discussions about its accuracy and inaccuracy are also started. This paper focuses on the literatures on the advancement of quantitative NMR spectroscopy reported between 2009 and 2016, and introduces both NMR measurement conditions and actual analysis cases in quantitative NMR. The quantitative NMR spectroscopy using an internal reference method enables accurate quantitative analysis with a quick and versatile way in general, and it is possible to obtain the precision sufficiently applicable to the evaluation of pure substances and standard solutions. Since the external reference method can easily prevent contamination to samples and the collection of samples, there are many reported cases related to the quantitative analysis of biologically related samples and highly scarce natural products in which NMR spectra are complicated. In the precision of quantitative NMR spectroscopy, the internal reference method is superior. As the quantitative NMR spectroscopy widely spreads, discussions are also progressing on how to utilize this analytical method as the official methods in various countries around the world. In Japan, this method is listed in the Pharmacopoeia and Japanese Standard of Food Additives, and it is also used as the official method for purity evaluation. In the future, this method will be expected to spread as the general-purpose analysis method that can ensure traceability to SI unit system. (A.O.)

  6. NMR imaging of soft tissue tumors

    International Nuclear Information System (INIS)

    Laval-Jeantet, M.; Tobolsk, F.; Delepine, N.; Delepine, G.; Roger, B.; Cabanis, E.A.

    1986-01-01

    Preliminary findings on NMR imaging of 30 soft tissue tumors demonstrated the indispensable value of this examination (particularly when a surface antenna is used) for preoperative investigation and diagnosis of tumoral recurrence when compared with other radiologic techniques. The possible potential of NMR imaging for characterization of tissues, apart from lipoma or liposarcoma, cannot be evaluated at the present time [fr

  7. Carbon-13 NMR spectroscopy of biological systems

    CERN Document Server

    Beckmann, Nicolau

    1995-01-01

    This book is intended to provide an in-depth understanding of 13C NMR as a tool in biological research. 13C NMR has provided unique information concerning complex biological systems, from proteins and nucleic acids to animals and humans. The subjects addressed include multidimensional heteronuclear techniques for structural studies of molecules in the liquid and solid states, the investigation of interactions in model membranes, the elucidation of metabolic pathwaysin vitro and in vivo on animals, and noninvasive metabolic studies performed on humans. The book is a unique mix of NMR methods and biological applications which makes it a convenient reference for those interested in research in this interdisciplinary area of physics, chemistry, biology, and medicine.Key Features* An interdisciplinary text with emphasis on both 13C NMR methodology and the relevant biological and biomedical issues* State-of-the-art 13C NMR techniques are described; Whenever possible, their advantages over other approaches are empha...

  8. Der Einfluss von Tests auf Studienleistung und Leistung [The Effects of Tests on Study Behavior and Performance

    NARCIS (Netherlands)

    Dirkx, Kim; Kester, Liesbeth; Kirschner, Paul A.

    2012-01-01

    Dirkx, K. J. H., Kester, L., & Kirschner, P. A. (2012, 24 September). Der Einfluss von Tests auf Studienverhalten und Leistung [The Effects of Study Behavior and Performance]. Presentation at the Leibniz Institute for Pedagogies in Sciences and Mathematics (IPN), Kiel, Germany.

  9. Policy Challenges Related to Biofuel Development in Tanzania Politische Herausforderungen in Bezug auf Biokraftstoffe in Tansania

    Directory of Open Access Journals (Sweden)

    Hussein Sosovele

    2010-01-01

    Full Text Available Biofuels have recently emerged as a major issue in energy policy, agricultural development and natural resource management. The growing demand for biofuels is being driven by high oil prices, energy security concerns and global climate change. In Tanzania there is growing interest on the part of foreign private investors in establishing biofuel projects, although globally there are concerns related to biofuel investments. Tanzania has approved a number of such projects, but the biofuel subsector faces several policy challenges that could clearly hamper its development. These include the lack of a holistic and comprehensive energy policy that addresses the broad spectrum of energy options and issues, and weak or absent institutional and legal frameworks. This article highlights some key policy issues critical to the development of biofuels and argues that if these challenges are not addressed at the national policy level, biofuel development may not result in the expected benefits to Tanzania and the majority of its local communities. Biokraftstoffe sind in jüngster Zeit in den Bereichen Energiepolitik, Landwirtschaftsentwicklung und nationales Ressourcenmanagement zu einem wichtigen Thema geworden. Die wachsende Nachfrage nach Biokraftstoffen wird durch die hohen Ölpreise, Befürchtungen in Bezug auf Energiesicherheit und den globalen Klimawandel vorangetrieben. In Tansania ist wachsendes Interesse ausländischer Privatinvestoren an Biokraftstoffprojekten zu beobachten, obwohl es weltweit Bedenken gegenüber solchen Investitionen gibt. Die tansanische Regierung hat einer ganzen Reihe entsprechender Projekte zugestimmt, doch mit dem Biokraftstoffsektor sind politische Herausforderungen verbunden, die diese Entwicklung behindern könnten. Dazu gehören das Fehlen einer ganzheitlichen und umfassenden Energiepolitik, die das ganze Spektrum energiepolitischer Fragestellungen und Optionen einschließt, wie auch schwache oder fehlende institutionelle

  10. Models for settlement prediction of structures in opencast dumps; Modelle zur Setzungsprognose von Bauwerken auf Tagebaukippen

    Energy Technology Data Exchange (ETDEWEB)

    Birle, E.; Vogt, S. [Technische Univ. Muenchen (Germany). Zentrum Geotechnik

    2016-05-01

    For construction projects at opencast dumps e.g. for planning of traffic routes or individual buildings a prognosis of dump subsicence after the establishment of the structures is required. It should be noted that on dump surfaces time-dependent subsidence are observed which can change by construction activities at the dump surface. As tools for describing the dump subsidence phenomenological models that have been developed based on the evaluation of dump characteristic subsidence and allow a one-dimensional analysis of creep deformation and visco-elastoplastic material models within the finite element method for analyzing complex geometric boundary conditions. [German] Fuer Baumassnahmen auf Tagebaukippen beispielsweise zur Planung von Verkehrswegen oder einzelnen Bauwerken ist eine Prognose der Kippensetzungen nach Errichtung der Bauwerke erforderlich. Dabei ist zu beachten, dass auf Kippenoberflaechen ausgepraegte zeitabhaengige Setzungen beobachtet werden, die sich durch Baumassnahmen an der Kippenoberflaeche aendern koennen. Als Werkzeuge zur Beschreibung der Kippensetzungen stehen prinzipiell phaenomenologische Modelle, die auf Basis der Auswertung von Kippeneigensetzungen entwickelt wurden und die eine ein-dimensionale Analyse der Kriechverformungen zulassen sowie visko-elastoplastische Stoffmodelle im Rahmen der FiniteElemente- Methode zur Analyse komplexer geometrischer Randbedingungen zur Verfuegung. In Abhaengigkeit vom Randwertproblem ist zu entscheiden, welches der Modelle zur Beschreibung der Kippensetzungen heranzuziehen ist. Mit phaenomenologischen Kriechmodellen und einer ein-dimensionalen Analyse der Verformungen koennen die sich nach Ende der Verkippung einstellenden Kippensetzungen in der Regel genuegend genau beschrieben werden, sofern an der Kippenoberflaeche keine signifikanten Spannungsaenderungen infolge von Baumassnahmen eingetragen werden. Kommt es dagegen zu Spannungsaenderungen, beispielsweise durch die Errichtung eines hohen

  11. An introduction to biological NMR spectroscopy

    International Nuclear Information System (INIS)

    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). (authors)

  12. NMR imaging of the brain: initial impressions

    International Nuclear Information System (INIS)

    Spencer, D.H.; Bydder, G.M.

    1983-01-01

    An NMR imaging system designed and built by Thorn-EMI Ltd was installed at Hammersmith Hospital in March 1981. In the first year of operation 180 patients and 40 volunteers have had cranial examinations and initial impressions bases on this experience are presented. Patients with a wide variety of neurological diseases have been studied to provide a basis for diagnostic interpretation, to define distinctive features, and to evaluate different types of scanning sequences. NMR imaging appears to be of considerable value in neurological diagnosis and has a number of advantages over CT. The detailed evaluation of NMR imaging will require much more work but the initial results are very promising

  13. Oriented solid-state NMR spectrosocpy

    DEFF Research Database (Denmark)

    Bertelsen, Kresten

    This thesis is concerned with driving forward oriented solid-state NMR spectroscopy as a viable technique for studying peptides in membrane bilayers. I will show that structural heterogeneity is an intrinsic part of the peptide/lipid system and that NMR can be used to characterize static...... and dynamic structural features of the peptides and its local surroundings. In fact one need to take into account the dynamical features of the system in order to correctly predict the structure from oriented solid-state NMR spectra.      ...

  14. NMR reaction monitoring in flow synthesis

    Directory of Open Access Journals (Sweden)

    M. Victoria Gomez

    2017-02-01

    Full Text Available 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.

  15. NMR reaction monitoring in flow synthesis.

    Science.gov (United States)

    Gomez, M Victoria; de la Hoz, Antonio

    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.

  16. Introduction to some basic aspects of NMR

    International Nuclear Information System (INIS)

    Goldman, M.

    1992-01-01

    The principal interactions are reviewed that are experienced by nuclear spins making magnetic resonance feasible and which disturb it in a way that gives access to the properties of bulk matter. The interactions leading to NMR include Zeeman interaction, dipole-dipole interactions, and exchange interactions. Spin-lattice relaxation relevant to NMR is revisited next. It is followed by an overview of spin temperature. Finally, the care of periodic Hamiltonian is discussed in detail as another contribution to NMR. (R.P.) 48 refs., 12 figs

  17. NMR study of LaPb2

    International Nuclear Information System (INIS)

    Ueda, K.; Kohara, T.; Yamada, Y.

    1995-01-01

    La and Pb NMR signals were observed in LaPb 2 with a superconducting transition temperature of about 7 K. The width of the Pb NMR spectrum with an asymmetric line shape was rather narrower than those of Er-, Gd- and Ho-Pb 2 . The spin-lattice relaxation time of Pb nuclei was twice longer than that of Pb metal. La NMR spectrum had satellites due to the electric quadrupole interaction. These results show that each local environment at La or Pb site in LaPb 2 compound is uniquely determined, compared with those in randomly substituted alloys. ((orig.))

  18. Graphical programming for pulse automated NMR experiments

    International Nuclear Information System (INIS)

    Belmonte, S.B.; Oliveira, I.S.; Guimaraes, A.P.

    1999-01-01

    We describe a software program designed to control a broadband pulse Nuclear Magnetic Resonance (NMR) spectrometer used in zero-field NMR studies of magnetic metals. The software is written in the graphical language LabVIEW. This type of programming allows modifications and the inclusion of new routines to be easily made by the non-specialist, without changing the basic structure of the program. The program corrects for differences in the gain of the two acquisition channels [U (phase) and V (quadrature)], and automatic baseline subtraction. We present examples of measurements of NMR spectra, spin-echo decay (T 2 ), and quadrupolar oscillations, performed in magnetic intermetallic compounds. (author)

  19. The characterisation of polymers using pulsed NMR

    International Nuclear Information System (INIS)

    Charlesby, A.

    1983-01-01

    Broad line pulsed NMR is applied to obtain information on radiation-induced polymer changes and other aspects of polymer science based on the interpretation of spin-spin relaxation curves. Calculations are made to determine the molecular weight, the crosslink density of simple, low molecular weight, flexible polymers. For higher molecular weight polymers, a conclusion can be drawn on the concentrations of entangled and crosslinked units by means of pulsed NMR. Some typical applications of the technique are illustrated by the examples of polyethylenes, rubbers, filled polymeric systems and aqueous polyethylene oxide solutions. The morphology of polymers can be followed by pulsed NMR. (V.N.)

  20. MAS NMR of HIV-1 protein assemblies

    Science.gov (United States)

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

    2015-04-01

    The negative global impact of the AIDS pandemic is well known. In this perspective article, the utility of magic angle spinning (MAS) NMR spectroscopy to answer pressing questions related to the structure and dynamics of HIV-1 protein assemblies is examined. In recent years, MAS NMR has undergone major technological developments enabling studies of large viral assemblies. We discuss some of these evolving methods and technologies and provide a perspective on the current state of MAS NMR as applied to the investigations into structure and dynamics of HIV-1 assemblies of CA capsid protein and of Gag maturation intermediates.

  1. Quantenphysik und Kommunikationswissenschaft auf dem Weg zu einer allgemeinen Theorie der Kommunikation

    CERN Document Server

    Hamberger, Erich

    2015-01-01

    Der Quantenphysiker Herbert Pietschmann beschäftigt sich seit Jahrzehnten mit dem Phänomen Kommunikation. Der Kommunikationswissenschaftler Erich Hamberger setzt sich seit langem mit der Frage der Adaptierung erkenntnistheoretischer Einsichten der Quantentheorie für die Geistes- und Biowissenschaften auseinander. 2003 begegnen sich die beiden - und staunen über die „verschränkten Erkenntnisinteressen“. 2006 bestreiten sie eine erste gemeinsame universitäre Lehrveranstaltung. 2011 folgt Das Phänomen Kommunikation transdisziplinär betrachtet. Aus ihrer Zusammenarbeit ist dieses Buch entstanden. Naturwissenschaft arbeitet auf der Grundlage des mechanistischen Denkrahmens. Die bisher einzige Ausnahme ist die Quantenphysik. Weder Leben noch Kommunikation ist mittels des mechanistischen Denkrahmens zu verstehen. Auch der Denkrahmen der Quantenphysik reicht dazu nicht aus. Der Bedarf nach adäquatem Denken im Bereich der Kommunikation kann durch quantenphysikalisches Denken NICHT befriedigt werden, jedoc...

  2. Driver's glance behaviour and secondary tasks; Einfluss von Nebenaufgaben auf das Fahrerblickverhalten

    Energy Technology Data Exchange (ETDEWEB)

    Schweigert, M. [BMW Group Forschung und Technik, Muenchen (Germany); Bubb, H. [TU Muenchen, Garching (Germany). Lehrstuhl fuer Ergonomie

    2003-07-01

    This paper contains a proposal for the evaluation of drivers' glance behavior, focussing on the influence of secondary tasks during driving. In general, an evaluation can only be achieved by regarding the quality of a task completion, which can be calculated by a comparison of a measured, actual value or behavior and a defined target value or behavior. Due to this definition, a target glance behavior is defined by so called continous and situational visual tasks. As opposed to continuous visual tasks, situational visual tasks contain a concrete description for a target glance behavior. A field trial (N=30) showed, that the subjects' glance behavior fulfilled most of the defined visual tasks when driving without a secondary task. Driving with secondary tasks leads to an increasing subjects' reliance on the correct driving of the other road users, shown by decreasing visual monitoring. (orig.) [German] Die vorliegende Untersuchung behandelt die Bewertung des Blickverhaltens von Fahrzeugfuehrern, wobei das Hauptaugenmerk auf dem Einfluss von Zusatzaufgaben liegt, die waehrend der Fahrt zu bearbeiten sind. Eine Bewertung ist immer eng mit dem Begriff der Qualitaet verknuepft, wobei ein Ist-Wert mit einem vorgegebenen Soll-Wert zu vergleichen ist. Nur wenn die Abweichung zwischen Soll und Ist gering ist, ist die Qualitaet hoch und die Bewertung somit positiv. Bei der Definition eines Soll-Blickverhaltens wird hier zwischen kontinuierlichen und situativen visuellen Aufgaben unterschieden. Letztere beinhalten konkrete Forderungen an das Fahrerblickverhalten in bestimmten Situationen, waehrend sich die Vorgabe eines Soll-Werts fuer kontinuierliche Aufgaben einer genauen Quantifizierung weitestgehend entzieht. Im Feldversuch (N=30) konnte gezeigt werden, dass bei den Fahrten ohne Zusatzaufgabenbearbeitung (Referenzbedingung) die definierten visuellen Aufgaben zum Grossteil erfuellt werden. Ist der Fahrer jedoch durch Zusatzaufgaben beansprucht, verlaesst er

  3. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)

    2015-08-15

    NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.

  4. NMR mechanisms in gel dosimetry

    International Nuclear Information System (INIS)

    Schreiner, L J

    2009-01-01

    Nuclear magnetic resonance was critical to the development of gel dosimetry, as it established the potential for three dimensional dosimetry with chemical dosimeter systems through magnetic resonance imaging [1]. In the last two decades MRI has served as the gold standard for imaging, while NMR relaxometry has played an important role in the development and understanding of the behaviour of new gel dosimetry systems. Therefore, an appreciation of the relaxation mechanisms determining the NMR behaviour of irradiated gel dosimeters is important for a full comprehension of a considerable component of the literature on gel dosimetry. A number of excellent papers have presented this important theory, this brief review will highlight some of the salient points made previously [1-5]. The spin relaxation of gel dosimeters (which determines the dose dependence in most conventional MR imaging) is determined principally by the protons on water molecules in the system. These water protons exist in different environments, or groups (see Figure 1): on bulk water, on water hydrating the chemical species that are being modified under irradiation, and on water hydrating the gel matrix used to spatially stabilize the dosimeter (e.g., gelatin, agarose, etc). The spin relaxation depends on the inherent relaxation rate of each spin group, that is, on the relaxation rate which would be observed for the specific group if it were isolated. Also, the different water environments are not isolated from each other, and the observed relaxation rate also depends on the rate of exchange of magnetization between the groups, and on the fraction of protons in each group. In fact, the water exchanges quickly between the environments, so that relaxation is in what is usually termed the fast exchange regime. In the limit of fast exchange, the relaxation of the water protons is well characterized by a single exponential and hence by a single apparent relaxation rate. In irradiated gel dosimeters this

  5. Structural investigations of substituted indolizine derivatives by NMR studies

    International Nuclear Information System (INIS)

    Furdui, Bianca; Dinica, Rodica; Demeunynck, Martine; Druta, Ioan

    2008-01-01

    Owing to the increasing importance of indolizine heterocycles in the field of biology and pharmacology we have synthesized and investigated the obtained heterocycles by NMR techniques. In order to investigate the substituent effects on the spectroscopic properties, a series of indolizine derivatives were studied by 1 H-NMR, 13 C-NMR and 2D NMR (GCOSY, GHMBC and GHMQC spectra). (authors)

  6. NMR in the SPINE Structural Proteomics project.

    Science.gov (United States)

    Ab, E; Atkinson, A R; Banci, L; Bertini, I; Ciofi-Baffoni, S; Brunner, K; Diercks, T; Dötsch, V; Engelke, F; Folkers, G E; Griesinger, C; Gronwald, W; Günther, U; Habeck, M; de Jong, R N; Kalbitzer, H R; Kieffer, B; Leeflang, B R; Loss, S; Luchinat, C; Marquardsen, T; Moskau, D; Neidig, K P; Nilges, M; Piccioli, M; Pierattelli, R; Rieping, W; Schippmann, T; Schwalbe, H; Travé, G; Trenner, J; Wöhnert, J; Zweckstetter, M; Kaptein, R

    2006-10-01

    This paper describes the developments, role and contributions of the NMR spectroscopy groups in the Structural Proteomics In Europe (SPINE) consortium. Focusing on the development of high-throughput (HTP) pipelines for NMR structure determinations of proteins, all aspects from sample preparation, data acquisition, data processing, data analysis to structure determination have been improved with respect to sensitivity, automation, speed, robustness and validation. Specific highlights are protonless (13)C-direct detection methods and inferential structure determinations (ISD). In addition to technological improvements, these methods have been applied to deliver over 60 NMR structures of proteins, among which are five that failed to crystallize. The inclusion of NMR spectroscopy in structural proteomics pipelines improves the success rate for protein structure determinations.

  7. NMR study of Albemoschus esculentus characterization

    International Nuclear Information System (INIS)

    Bathista, A.L.B.S; Silva, E.O.; Nogueira, Jose de S.; Tavares, M.I.B.

    2001-01-01

    The investigation of the main compounds presented in the Albemoschus esculentus has been carried out employing nuclear magnetic resonance spectroscopy (NMR), using solution and solid state NMR when it one was necessary. The evaluation of NMR data allowed us to characterize the main type of components presented in this kind of sample. It was necessary to use a total information from solid state NMR and also the solution response. From these information we could get that four main components were presented in this sample. One in the shell, that is cellulose, another one between the shell and seeds that is a polysaccharide and in the seed two components were found one is a starch and the second one is an oil, a triacylglycerol. These components are responsible by its physical chemistry properties. (author)

  8. Bayesian Peak Picking for NMR Spectra

    KAUST Repository

    Cheng, Yichen

    2014-02-01

    Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method.

  9. NMR and optical studies of piezoelectric polymers

    International Nuclear Information System (INIS)

    Schmidt, V.H.; Tuthill, G.F.

    1993-01-01

    Progress is reported in several areas dealing with piezoelectric (electroactive) polymers (mostly vinylidene fluoride, trifluoroethylene, copolymers, PVF 2 ) and liquid crystals. Optical studies, neutron scattering, NMR, thermal, theory and modeling were done

  10. High resolution NMR theory and chemical applications

    CERN Document Server

    Becker, Edwin D

    2012-01-01

    High Resolution NMR: Theory and Chemical Applications discusses the principles and theory of nuclear magnetic resonance and how this concept is used in the chemical sciences. This book is written at an intermediate level, with mathematics used to augment verbal descriptions of the phenomena. This text pays attention to developing and interrelating four approaches - the steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The style of this book is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. This book begins with a description of the basic physics, together with a brief account of the historical development of the field. It looks at the study of NMR in liquids, including high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. This book is intended to assis...

  11. NMR studies of cerebral metabolism in vivo

    International Nuclear Information System (INIS)

    Prichard, J.W.

    1986-01-01

    The nature and extent of the potential synergism between PET and NMR methods is not yet well appreciated in the biomedical community. The long-range interest of medical neurobiology will be well served by efforts of PET and NMR scientists to follow each others' work so that opportunities for productive interchange can be efficiently exploited. Appreciation of the synergism by the rest of the biomedical community will follow naturally. PET is said by the people doing it to be still in its infancy, for they are more concerned with advancing their discipline than with admiring its already impressive achievements. On the scale of the same developmental metaphor, many NMR methods for studying the living human brain are still in utero. The best way to provide the reader a sense of the current status and future course of NMR research in medical neurobiology is by discussion of published in vivo studies. Such a discussion, adapted from another article is what follows

  12. Development of Two-Dimensional NMR

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Development of Two-Dimensional NMR: Strucure Determination of Biomolecules in Solution. Anil Kumar. General Article Volume 20 Issue 11 November 2015 pp 995-1002 ...

  13. NMR spectroscopy of coal pyrolysis products

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Shevchenko, G.G.

    1985-12-01

    The authors consider the scope for using H 1 and C 13 NMR spectroscopy to describe the products from coal pyrolysis and hydrogenization. The accuracy of the structural information provided by the best NMR methods is also considered. The stuctural parameters derived from H 1 and C 13 NMR spectra are presented. Results demonstrate the high accuracy and sensitivity of the structural information provided by H 1 AND C 13 NMR spectra for coal products. There are substantial structural differences between the soluble products from medium-temperature coking of Cheremkhov coal and high-speed pyrolysis of Kan-Acha coal, and also differences in behavior during hydrogenation. These differences are related to the structure of the organic matter in the initial coal and to differences in the pyrolysis mechanisms.

  14. NMR study of hydride systems

    International Nuclear Information System (INIS)

    Peretz, M.

    1980-02-01

    The hydrides of thorium (ThH 2 , Th 4 H 15 and Th 4 D 15 ) and the intermetallic compound system (Zr(Vsub(1-x)Cosub(x)) 2 and its hydrides were investigated using the nuclear magnetic resonance (NMR) technique. From the results for the thorium hydride samples it was concluded that the density of states at the Fermi level n(Esub(f)) is higher in Th 4 H 15 than in ThH 2 ; there is an indirect reaction between the protons and the d electrons belonging to the Th atoms in Th 4 H 15 ; n(E) has a sharp structure near Esub(f). It was also found that the hydrogen diffusion mechanism changes with temperature. From the results for the intermetallic compound system conclusions were drawn concerning variations in the electronic structure, which explain the behavior of the system. In hydrogen diffusion studies in several samples it was found that Co atoms slow the diffusion rate. Quadrupole spectra obtained at low temperatures show that the H atoms preferably occupy tetrahedral sites formed by three V atoms and one Z atom. (H.K.)

  15. Frontiers of NMR in Molecular Biology

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-08-25

    NMR spectroscopy is expanding the horizons of structural biology by determining the structures and describing the dynamics of blobular proteins in aqueous solution, as well as other classes of proteins including membrane proteins and the polypeptides that form the aggregates diagnostic of prion and amyloid diseases. Significant results are also emerging on DNA and RNA oligomers and their complexes with proteins. This meeting focused attention on key structural questions emanating from molecular biology and how NMR spectroscopy can be used to answer them.

  16. NMR studies of multiphase flows II

    Energy Technology Data Exchange (ETDEWEB)

    Altobelli, S.A.; Caprihan, A.; Fukushima, E. [Lovelace Institutes, Albuquerque, NM (United States)] [and others

    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.

  17. observed by high pressure NMR and NQR

    Indian Academy of Sciences (India)

    Akogun, Hyogo 678-1297, Japan. ∗. Email: kohara@sci.himeji tech.ac.jp. Abstract. NMR and NQR studies on two interesting systems (URu2Si2, CeTIn5) were performed under high pressure. (1) URu2Si2: In the pressure range 3.0 to 8.3 kbar, we have observed new 29Si. NMR signals arising from the antiferromagnetic ...

  18. NMRbox: A Resource for Biomolecular NMR Computation.

    Science.gov (United States)

    Maciejewski, Mark W; Schuyler, Adam D; Gryk, Michael R; Moraru, Ion I; Romero, Pedro R; Ulrich, Eldon L; Eghbalnia, Hamid R; Livny, Miron; Delaglio, Frank; Hoch, Jeffrey C

    2017-04-25

    Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users. Copyright © 2017 Biophysical Society. All rights reserved.

  19. A microscale protein NMR sample screening pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Rossi, Paolo; Swapna, G. V. T.; Huang, Yuanpeng J.; Aramini, James M. [State University of New Jersey, Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers (United States); Anklin, Clemens [Bruker Biospin Corporation (United States); Conover, Kenith; Hamilton, Keith; Xiao, Rong; Acton, Thomas B.; Ertekin, Asli; Everett, John K.; Montelione, Gaetano T., E-mail: guy@cabm.rutgers.ed [State University of New Jersey, Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers (United States)

    2010-01-15

    As part of efforts to develop improved methods for NMR protein sample preparation and structure determination, the Northeast Structural Genomics Consortium (NESG) has implemented an NMR screening pipeline for protein target selection, construct optimization, and buffer optimization, incorporating efficient microscale NMR screening of proteins using a micro-cryoprobe. The process is feasible because the newest generation probe requires only small amounts of protein, typically 30-200 {mu}g in 8-35 {mu}l volume. Extensive automation has been made possible by the combination of database tools, mechanization of key process steps, and the use of a micro-cryoprobe that gives excellent data while requiring little optimization and manual setup. In this perspective, we describe the overall process used by the NESG for screening NMR samples as part of a sample optimization process, assessing optimal construct design and solution conditions, as well as for determining protein rotational correlation times in order to assess protein oligomerization states. Database infrastructure has been developed to allow for flexible implementation of new screening protocols and harvesting of the resulting output. The NESG micro NMR screening pipeline has also been used for detergent screening of membrane proteins. Descriptions of the individual steps in the NESG NMR sample design, production, and screening pipeline are presented in the format of a standard operating procedure.

  20. O-17 NMR measurement of water

    International Nuclear Information System (INIS)

    Fukazawa, Nobuyuki

    1990-01-01

    Recently, attention has been paid to the various treatment of water and the utilization of water by magnetic treatment, electric field treatment and so on. It has been said that by these treatments, the change in the properties of water arises. The state of this treated water cannot be explained by the properties of water from conventional physical and chemical standpoints. In addition, the method of measurement of whether the change arose or not is not yet determined. It is necessary to establish the method of measurement for the basic state of water. In this study, O-17 NMR which observes the state of water directly at molecular or atomic level was investigated as the method of measuring water. The measurement of O-17 NMR was carried out with a JNR 90Q FT NMR of Fourier transformation type of JEOL Ltd. The experimental method and the results are reported. The result of measurement of the O-17 NMR spectrum for distilled ion exchange water is shown. It is know that it has very wide line width as compared with the NMR spectra of protons and C-13. The relative sensitivity of O-17 observation is about 1/100,000 of that of protons. As to the information on the state of water obtained by O-17 NMR, there are chemical shift and line width. As temperature rose, the line width showed decrease, which seemed to be related to the decrease of hydrogen combination. (K.I.)

  1. Basics of spectroscopic instruments. Hardware of NMR spectrometer

    International Nuclear Information System (INIS)

    Sato, Hajime

    2009-01-01

    NMR is a powerful tool for structure analysis of small molecules, natural products, biological macromolecules, synthesized polymers, samples from material science and so on. Magnetic Resonance Imaging (MRI) is applicable to plants and animals Because most of NMR experiments can be done by an automation mode, one can forget hardware of NMR spectrometers. It would be good to understand features and performance of NMR spectrometers. Here I present hardware of a modern NMR spectrometer which is fully equipped with digital technology. (author)

  2. 33S NMR cryogenic probe for taurine detection

    Science.gov (United States)

    Hobo, Fumio; Takahashi, Masato; Maeda, Hideaki

    2009-03-01

    With the goal of a S33 nuclear magnetic resonance (NMR) probe applicable to in vivo NMR on taurine-biological samples, we have developed the S33 NMR cryogenic probe, which is applicable to taurine solutions. The NMR sensitivity gain relative to a conventional broadband probe is as large as 3.5. This work suggests that improvements in the preamplifier could allow NMR measurements on 100 μM taurine solutions, which is the level of sensitivity necessary for biological samples.

  3. Petrophysical properties of greensand as predicted from NMR measurements

    DEFF Research Database (Denmark)

    Hossain, Zakir; Grattoni, Carlos A.; Solymar, Mikael

    2011-01-01

    ABSTRACT: Nuclear magnetic resonance (NMR) is a useful tool in reservoir evaluation. The objective of this study is to predict petrophysical properties from NMR T2 distributions. A series of laboratory experiments including core analysis, capillary pressure measurements, NMR T2 measurements...... with macro-pores. Permeability may be predicted from NMR by using Kozeny's equation when surface relaxivity is known. Capillary pressure drainage curves may be predicted from NMR T2 distribution when pore size distribution within a sample is homogeneous....

  4. Effekte des oxidativen Stresses auf die Expression der Scavenger-Rezeptoren CD36 und SR-BI und des Transkriptionsfaktors PPARγ in Makrophagen

    OpenAIRE

    Westendorf, Thomas

    2006-01-01

    Ziel dieser Dissertationsschrift war es, die Effekte des oxidativen Stresses in Form von oxLDL auf die Expression der atherogenen Scavenger-Rezeptoren CD36, SR-BI, des Transkriptionsfaktors PPARγ und pro-inflammatorischer Zytokine zu untersuchen. Die durchgeführten Untersuchungen beruhen auf der Annahme, dass modifizierte LDL durch Induktion der genannten Scavenger-Rezeptoren und nachfolgende unregulierte Aufnahme in Makrophagen mit Bildung von Schaumzellen entscheidend zur Entwicklung einer ...

  5. Investigations on the effect of creep stress on the thermal properties of metallic materials; Untersuchungen zum Einfluss der Zeitstandbeanspruchung auf die thermischen Eigenschaften metallischer Werkstoffe

    Energy Technology Data Exchange (ETDEWEB)

    Radtke, U [Univ. Dortmund (Germany); Crostack, H A [Univ. Dortmund (Germany); Winschuh, E [Siemens KWU, Offenbach (Germany)

    1996-12-31

    Using thermal wave analysis with front side infrared detection on sample material damaged by creep, one examines whether the creep stress has an effect on the thermal material properties and to what effect this can be used to estimate the remaining service life. (orig.) [Deutsch] Unter Anwendung der Waermewellenanalyse mit frontseitiger Infrarotdetektion auf zeitstandgeschaedigtes Probenmaterial wird untersucht, ob die Zeitstandbeanspruchung einen Einfluss auf die thermischen Werkstoffeigenschaften hat und inwieweit dieser zur Abschaetzung der Restlebensdauer genutzt werden kann. (orig.)

  6. Continuous Flow 1H and 13C NMR Spectroscopy in Microfluidic Stripline NMR Chips

    NARCIS (Netherlands)

    Oosthoek-de Vries, Anna Jo; Bart, Jacob; Tiggelaar, Roald M.; Janssen, Johannes W.G.; van Bentum, Jan (P.J.M.); Gardeniers, Han J.G.E.; Kentgens, Arno P.M.

    2017-01-01

    Microfluidic stripline NMR technology not only allows for NMR experiments to be performed on small sample volumes in the submicroliter range, but also experiments can easily be performed in continuous flow because of the stripline's favorable geometry. In this study we demonstrate the possibility of

  7. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR.

    Science.gov (United States)

    van der Schot, Gijs; Bonvin, Alexandre M J J

    2015-08-01

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665-1674, 2005b, doi: 10.1021/ja047109h). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27-35, 2013, doi: 10.1007/s10858-013-9762-6), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution.

  8. Use of NMR and NMR Prediction Software to Identify Components in Red Bull Energy Drinks

    Science.gov (United States)

    Simpson, Andre J.; Shirzadi, Azadeh; Burrow, Timothy E.; Dicks, Andrew P.; Lefebvre, Brent; Corrin, Tricia

    2009-01-01

    A laboratory experiment designed as part of an upper-level undergraduate analytical chemistry course is described. Students investigate two popular soft drinks (Red Bull Energy Drink and sugar-free Red Bull Energy Drink) by NMR spectroscopy. With assistance of modern NMR prediction software they identify and quantify major components in each…

  9. New methods for the correction of 31P NMR spectra in in vivo NMR spectroscopy

    International Nuclear Information System (INIS)

    Starcuk, Z.; Bartusek, K.; Starcuk, Z. jr.

    1994-01-01

    The new methods for the correction of 31 P NMR spectra in vivo NMR spectroscopy have been performed. A method for the baseline correction of the spectra which represents a combination of time-domain and frequency-domain has been discussed.The method is very fast and efficient for minimization of base line artifacts of biological tissues impact

  10. HPLC-NMR revisited: Using time-slice HPLC-SPE-NMR with database assisted dereplication

    DEFF Research Database (Denmark)

    Johansen, Kenneth; Wubshet, Sileshi Gizachew; Nyberg, Nils

    2013-01-01

    Time based trapping of chromatographically separated compounds on to solid-phase extraction cartridges (SPE) and subsequent elution to NMR-tubes was done to emulate the function of HPLC–NMR for dereplication purposes. Sufficient mass sensitivity was obtained by the use of a state-of-the-art HPLC......–SPE–NMR-system with a cryogenically cooled probe head, designed for 1.7 mm NMR-tubes. The resulting 1H NMR spectra (600 MHz) were evaluated against a database of previously acquired and prepared spectra. The in-house developed matching algorithm, based on partitioning of the spectra and allowing for changes in the chemical shifts......, is described and the code included as Supplementary Information. Two mixtures of natural products was used to test the approach; one extract of Carthamus oxyacantha (wild safflower) containing an array of spiro compounds and one extract of the endophytic fungus Penicillum namyslowski containing griseofulvin...

  11. Review: Anja Weiß (2001). Rassismus wider Willen. Ein anderer Blick auf eine Struktur sozialer Ungleichheit

    OpenAIRE

    Bremer, Helmut

    2002-01-01

    Die Arbeit liefert einen Beitrag zur Debatte um Rassismus und Interkulturalität sowie zur Anwendung qualitativer Forschungsverfahren im Rahmen der Theorie BOURDIEUs. Rassismus und Anti-Rassismus werden nicht isoliert betrachtet, sondern als eine Dimension sozialer Ungleichheit, die in eine umfassende Theorie sozialer Ungleichheit eingebunden werden muss. Vorgeschlagen wird BOURDIEUs Konzept von Habitus, Feld und Kapital. Das ermöglicht einen anderen Blick auf das Phänomen. Rassismus reproduzi...

  12. Nationale und transnationale Vernetzung polnischer Städte und Regionen: Auf dem Weg zu einer nachhaltigen Stadt- und Regionalentwicklung

    OpenAIRE

    Dorsch, Pamela

    2003-01-01

    "Die Studie 'Nationale und transnationale Vernetzung polnischer Städte und Regionen - Bedeutung für eine nachhaltige Stadt- und Regionalentwicklung' liefert einen Überblick über die Einbindung polnischer Kommunen und Wojewodschaften in allgemeine und politikfeldspezifische Netzwerke auf nationaler und transnationaler Ebene. Besondere Berücksichtigung findet hierbei die Vernetzung in Fragen von Nachhaltigkeit und des Umweltschutzes. Einführend zeigt die Studie den Prozess zunehmender Dezentral...

  13. Freiwillige Selbstverpflichtung von Unternehmen in Antikorruptionsinitiativen: Der Einfluss des nationalen Kontextes auf internationales Engagement am Beispiel chinesischer und indischer Unternehmen

    OpenAIRE

    Bargstädt, Dorothee

    2017-01-01

    Die Länder China und Indien stehen für den Beginn des "Asian Century". Da den Ländern und ihren nationalen Unternehmen ein starker Einfluss auf wirtschaftliche Entscheidungen der Zukunft bescheinigt wird, rücken Themen wie die gesellschaftliche Verantwortung von Unternehmen in den Fokus. Die vorliegende Arbeit untersucht, ob sich das Engagement von chinesischen und indischen Unternehmen in internationalen Antikorruptionsinitiativen unterscheidet. Dazu werden die CSR-Reports der 30 größten chi...

  14. Entwicklung von Extraktions- und Absorptionssystemen auf Basis ionischer Flüssigkeiten für die Entschwefelung von Kohlenwasserstoffen

    OpenAIRE

    Kuhlmann, Esther

    2008-01-01

    Da die Anforderungen an den Schwefelgehalt der fossilen Brennstoffe - nicht zuletzt durch gesetzliche Richtlinien bezüglich der Schadstoffemissionen - im Laufe der Zeit ständig gestiegen sind, sind effektive Entschwefelungsverfahren für fossile Brennstoffe von hohem Interesse. Die derzeitige Entschwefelungstechnologie basiert auf dem HDS-Verfahren, alternative Verfahren sind aber wünschenswert, insbesondere wenn Anwendungen einen Schwefelgehalt von weit unter 10 ppm erforderlich machen. Daher...

  15. Development of solar selective absorber layers on aluminium. Final report; Entwicklung solarselektiver Absorberschichten auf Aluminium fuer Solarkollektoren. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Hoenicke, D.; Moeller, T.; Schwarz, T.

    1998-01-31

    A new electrolytic process was developed to form solar selective layers on aluminium. In the developed process, both the formation of the alumina layer and the deposition of metals into the layer takes place in only one treatment step using a single electrolysis bath. The main step of the so called ISOC-method (impulse structured oxide ceramic) is the anodic oxidation of aluminium which was carried out by using a pulse technique at different voltages. During the anodic polarisation a thin alumina ceramic layer was formed, while the cathodic led to the metal deposition as copper and nickel. The conditions of the electrolysis were varied in order to estimate optimal parameters achieving solar selective layers with high selectivity. Furthermore, a scale-up of the lab scale apparatus to a mini plant was carried out. Finally, the corrosion resistance of the absorber layers was improved by the formation of a thin hydrophobic overlayer using a sol-gel treatment. (orig.) [Deutsch] Ein neuartiges Behandlungsverfahren zur Erzeugung von solarselektiven Absorberschichten auf Aluminium wurde entwickelt. Bei dieser elektrochemischen Behandlung wird in einem Einstufenprozess mit einem Elektrolyten durch eine Kombination von anodischer Oxidation und bipolarer Pulsbehandlung auf der Oberflaeche des Aluminiums eine impulsstrukturierte Oxidkeramik (ISOK) erzeugt. Dabei entsteht durch eine anodische Oxidation eine strukturierte Aluminiumoxidschicht. Bei der bipolaren Pulsbehandlung erfolgt dann eine Abscheidung der im ISOK-Elektrolyten befindlichen Metalle Cu und Ni auf oder in die Aluminiumoxidoberflaeche. Die ISOK-Behandlung wurde vom Labormassstab zu einem ISOK-Verfahren im Miniplant-Massstab entwickelt. Der Einfluss der elektrischen Parameter und der chemischen Zusammensetzung der ISOK-Elektrolyte wurde untersucht. Durch eine auf das ISOK-Verfahren abgestimmte Nachbehandlung, ein Tauchverfahren in einer Sol-Gel-Loesung, entsteht ein Schichtsystem mit hoher Solarselektivitaet

  16. Auswirkungen eines Intensivtherapie-Programms für verhaltensgestörte Geistigbehinderte auf ihre Bezugspersonen im Heim

    OpenAIRE

    Elbing, Ulrich; Rohmann, Ulrich H.

    1994-01-01

    Die vorliegende Studie dokumentiert die Auswirkungen eines Intensivtherapie-Programms für Geistigbehinderte mit schweren Verhaltensstörungen oder autistischen Verhaltensweisen auf ihre in das Programm mit einbezogenen Betreuer hinsichtlich ihrer fachlichen Kompetenz, ihrer Interaktionsqualität mit den Klienten, ihrer Teamkultur und ihrer Arbeitszufriedenheit. In einem quasiexperimentellen Design schätzten sich die Betreuer vor und nach dem Intensivtherapie-Programm mit einer Ratingskala im Hi...

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

    International Nuclear Information System (INIS)

    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

  18. High resolution NMR spectroscopy of synthetic polymers in bulk

    International Nuclear Information System (INIS)

    Komorski, R.A.

    1986-01-01

    The contents of this book are: Overview of high-resolution NMR of solid polymers; High-resolution NMR of glassy amorphous polymers; Carbon-13 solid-state NMR of semicrystalline polymers; Conformational analysis of polymers of solid-state NMR; High-resolution NMR studies of oriented polymers; High-resolution solid-state NMR of protons in polymers; and Deuterium NMR of solid polymers. This work brings together the various approaches for high-resolution NMR studies of bulk polymers into one volume. Heavy emphasis is, of course, given to 13C NMR studies both above and below Tg. Standard high-power pulse and wide-line techniques are not covered

  19. Der Einfluss von personeller Einkommensverteilung auf die „Great Depression“ und die „Great Recession“

    Directory of Open Access Journals (Sweden)

    Stefan Trappl

    2015-12-01

    Full Text Available Der Einfluss gestiegener Einkommensungleichheit auf die „Great Depression“ und die „Great Recession“ wurde mehrfach postuliert (Galbraith 1954/2009; Eccles 1951; Rajan 2010; Stiglitz 2012; Piketty 2014. Konkrete empirische Arbeiten zum Zusammenhang zwischen Einkommensverteilung und dem Entstehen von Wirtschaftskrisen gibt es aber bislang wenige. Kumhof/Ranciere (2010 überprüften die von Rajan (2010 aufgestellte Hypothese, die einen entsprechenden Zusammenhang postuliert, mittels Modellrechnung. Bordo/Meissner (2012 und darauf aufbauend Gu/Huang (2014 verwendeten unterschiedliche Regressionsmodelle in Bezug auf einen entsprechenden Zusammenhang, ohne jedoch eindeutige Ergebnisse zu liefern. Die vorliegende Arbeit schließt an diese Arbeiten an, beschränkt die Untersuchung allerdings auf Staaten, für die Daten für die letzten hundert Jahre verfügbar sind, und untersucht zudem explizit die Zeiträume um die beiden größten Krisen der letzten hundert Jahre, die „Great Depression“ und die „Great Recession“. Die Auswertungen zeigen, dass die personelle Einkommensverteilung ein guter Prädiktor für die Kriseneintrittswahrscheinlichkeit ist.

  20. Effects of coating molecules on the magnetic heating properties of Au-Fe3O4 heterodimer nanoparticles

    Science.gov (United States)

    Yamamoto, Y.; Ogasawara, J.; Himukai, H.; Itoh, T.

    2016-10-01

    In this paper, we report the heating properties of gold-magnetite (Au-Fe3O4) heterodimer nanoparticles (NPs) subjected to an alternating magnetic field. The Au-Fe3O4 NPs coated with oleic acid and oleylamine (OA) were synthesized through a method that combines seed mediation and high-temperature decomposition. The coating was replaced with dimercaptosuccinic acid (DMSA) by the ligand-exchange method. The specific absorption rates (SARs) for the OA- and DMSA-coated Au-Fe3O4 NPs coated with OA and DMSA at room temperature were determined through the calorimetric and magnetometric methods. SAR depended on the square of the magnetic field H up to an H value of 4 kA/m. The absolute value of the SAR for DMSA-coated NPs is about fivefold higher than that of the OA-coated NPs. The AC magnetic hysteresis measurements showed the recovery of the magnetic volume and the decrease in the magnetic anisotropy of the DMSA-coated NPs relative to those of the OA-coated NPs. These results suggest that the protective agent influences the magnetic properties of magnetite NPs via gold NPs.

  1. Bottom-up substitution assembly of AuF4-n0,-+nPO3 (n = 1-4): a theoretical study of novel oxyfluoride hyperhalogen molecules and anions AuF4-n(PO3)n0,-

    Science.gov (United States)

    Yang, Yi-fan; Cui, Zhong-hua; Ding, Yi-hong

    2014-06-01

    Compounds with high electron affinity, i.e. superhalogens, have continued to attract chemists' attention, due to their potential importance in fundamental chemistry and materials science. It has now proven very effective to build up novel superhalogens with multi-positively charged centres, which are usually called 'hyperhalogens'. Herein, using AuF4- and PO3 as the model building blocks, we made the first attempt to design the Au,P-based hyperhalogen anions AuF4-n(PO3)n- (n = 1-4) at the B3LYP/6-311+G(d)&SDD and CCSD(T)/6-311+G(d)&SDD (single-point) levels (6-311+G(d) for O, F, P and SDD for Au). Notably, for all the considered Au,P systems, the ground state bears a dioxo-bonded structure with n ≤ 3, which is significantly more stable than the usually presumed mono-oxo-bonded one. Moreover, the clustering of the -PO3 moieties becomes energetically favoured for n ≥ 3. The ground states of AuP4O120,- are the first reported cage-like oxide hyperhalogens. Thus, the -PO3 moiety cannot be retained during the 'bottom-up' assembly. The vertical detachment energy (VDE) value of the most stable AuF4-n(PO3)n- (n = 1-4) ranges from 7.16 to 8.20 eV, higher than the VDE values of the corresponding building blocks AuF4- (7.08 eV) and PO3- (4.69 eV). The adiabatic detachment energy values of these four hyperhalogens exceed 6.00 eV. Possible generation routes for AuF4-n(PO3)n- (n = 1-4) were discussed. The presently designed oxyfluorides not only enriches the family of hyperhalogens, but also demonstrates the great importance of considering the structural transformation during the superhalogen → hyperhalogen design such as for the present Au-P based systems.

  2. Nuclear magnetic resonance (NMR): principles and applications

    International Nuclear Information System (INIS)

    Quibilan, E.I.

    The basis for the phenomenon of nuclear magnetic resonance (NMR) is the ability of certain nuclei possessing both intrinsic angular momentum or ''spin'' I and magnetic moment to absorb electromagnetic energy in the radio frequency range. In principle, there are approximately 200 nuclei which may be investigated using the NMR technique. The NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum provides a variety of qualitative and quantitative analytical applications. The most obvious applications consist of the measurements of nuclear properties, such as spin number and nuclear magnetic moment. In liquids, the fine structure of resonance spectra provides a tool for chemical identification and molecular structure analysis. Other applications include the measurements of self-diffusion coefficients, magnetic fields and field homogeneity, inter-nuclear distances, and, in some cases, the water content of biological materials. (author)

  3. Annealing-induced recovery of indents in thin Au(Fe bilayer films

    Directory of Open Access Journals (Sweden)

    Anna Kosinova

    2016-12-01

    Full Text Available We employed depth-sensing nanoindentation to produce ordered arrays of indents on the surface of 50 nm-thick Au(Fe films deposited on sapphire substrates. The maximum depth of the indents was approximately one-half of the film thickness. The indented films were annealed at a temperature of 700 °C in a forming gas atmosphere. While the onset of solid-state dewetting was observed in the unperturbed regions of the film, no holes to the substrate were observed in the indented regions. Instead, the film annealing resulted in the formation of hillocks at the indent locations, followed by their dissipation and the formation of shallow depressions nearby after subsequent annealing treatments. This annealing-induced evolution of nanoindents was interpreted in terms of annihilation of dislocation loops generated during indentation, accompanied by the formation of nanopores at the grain boundaries and their subsequent dissolution. The application of the processes uncovered in this work show great potential for the patterning of thin films.

  4. Photoelectron spectroscopy study of Fe-diluted Au-Fe alloys

    CERN Document Server

    Nahm, T U; Choi, B; Park, J S; Oh, S J; Cho, E J

    2003-01-01

    The electronic structure of Fe-diluted Au-Fe alloys has been studied by taking core-level and valence-band spectra using x-ray photoemission spectroscopy and synchrotron radiation. From the core-level spectroscopy, we found that the Fe 2p spectrum is composed of d sup 6 and d sup 7 multiplets from Fe impurity atoms. This behaviour is qualitatively discussed within the context of electron-electron interaction. In order to explore the electron-correlation effects in the valence band, we obtained Fe 3d partial spectral weights by taking advantage of the Cooper-minimum phenomenon of an Au 5d photoionization cross section. It was found that the spin-down states have an appreciable amount of spectral weights throughout the host Au 5d band, contrary to previous one-electron calculations predicting two-peak structure of the Fe 3d states. We suggest that this discrepancy results from the correlation effect of the Fe 3d electrons.

  5. ÜBERBLICK AUF DIE SCHRIFTLICHE UND ELEKTRONISCHE PRESSE IN DER TURKEI

    Directory of Open Access Journals (Sweden)

    Güven BÜYÜKBAYKAL

    2013-01-01

    Full Text Available Das Thema dieser Arbeit ist die Entwicklungen der schriftlichen Presse und der elektronischen Presse in der Türkei. Auberdem wurden die Veranderungen, die die Technologie gebracht hat, zu den Wirkungen in der schriftlichen und elektronischen Presse berührt. Der Import von teurer und verschwenderischer Technologie, die Tatsache, dass die Erhöhung der Eingabepreise den Vertriebspreisen von Zeitungen nicht entgegenkommen konnte, und der sich mit den 80'igern beschleunigende Werbe-Promotionswettbewerb erhöhten die Gestehungskosten im Pressesektor und brachten das Monopol mit sich. Die Neigung zum Monopol wirkte negativ auf die Nachrichtenproduktion, -Verteilung und die Gedankenfreiheit; die Arbeitsbedingungen und die Beschaffenheitsrechte der Pressearbeiter wurden eingeschrankt. Werbungen und unser Magazintage sind der Schwerpunkt der türkischen Presse. Exklusive - reiche Massen, Prominente, die man als 'Gesellschaftssahne' bezeichnet, Sanger und Sangerinnen die in Fernsehprogrammen berühmt wurden, und das private Leben von Entertainern haben einen groBen Platz in der Presse. Nachrichten, die die Gesellschaft oder die Zukunft des Landes interessieren, können bewusst auBer Acht gelassen werden und die Tagung besteht meistens aus Gerüchten mit vielen Bildern und groBen Buchstaben, die überhaupt keinen Nachrichtenwert haben. Letztendlich sollte man Zeitungen zum lesen und nicht zum anschauen drucken. Eine Zeitung sollte nicht mit dem Fernsehen oder dem Internet konkurrieren sondern in ihrer eigenen Rennstrecke bleiben.

  6. Familienfreundliche Betriebe nehmen auf Vaterschaft Rücksicht! Family-Friendly Businesses Show Consideration for Fatherhood!

    Directory of Open Access Journals (Sweden)

    Martin R. Textor

    2004-11-01

    Full Text Available Das Handbuch VäterArbeit zeigt auf, wie wichtig es ist, das Thema „Vatersein“ in Unternehmen und Organisationen zu diskutieren und betriebliche Maßnahmen zur Unterstützung einer kindgerechten Ausübung von Vaterschaft zu initiieren und umzusetzen. Die Politik muss dafür die entsprechenden gesetzlichen Rahmenbedingungen schaffen. Väter sollten ihre Rollen hinterfragen und die schon gegebenen Spielräume hinsichtlich einer verbesserten Vereinbarkeit von Familie und Beruf nutzen.Handbuch VaterArbeit (The CareerFather Handbook illustrates how important it is to discuss the subject of “being a father” in businesses and organizations and to initiate and apply company measures to promote a practice of fatherhood that is equitable to the child. Policy must establish the corresponding legal framework and conditions for this. Fathers should question their roles and utilize the latitude already present that promotes an improved agreement between family and job.

  7. Waste incineration on its way to the power plants; Muellverbrennung auf dem Weg zum Kraftwerk

    Energy Technology Data Exchange (ETDEWEB)

    Reich, J. [STEAG encotec GmbH, Essen (Germany); Neukirchen, B. [STEAG AG, Essen (Germany)

    2004-07-01

    Looking at the year 2005 and the end of disposal of untreated domestic waste the politic hopes that the prognosticated lack of waste treatment capacity is remedied by coal-fired power plants. The classical municipal waste incinerators by contrast want to get recognition as energetic recycler in comparison with power stations. The decision of the European Court of Justice concerning recycling and disposal of domestic waste by incineration has started the discussion and competition on fuel-rich commercial waste. Are municipal waste incineration plants power stations or must power plants be regarded as incinerators? These questions are still open. (orig.) [German] Mit Blick auf das Jahr 2005 und das Ende der Ablagerung von unbehandeltem Siedlungsabfall hofft die Politik, dass der prognostizierte Mangel an Vorbehandlungskapazitaeten von den Kohlekraftwerken behoben wird. Die klassischen Muellverbrennungsanlagen wollen dagegen mit dem Kraftwerksvergleich die Anerkennung als energetische Verwerter erreichen. Das EuGH-Urteil zur Verwertung oder Beseitigung von Siedlungsabfall durch Verbrennen hat in diesem Jahr die Diskussion und den Kampf um den heizwertreichen Gewerbeabfall angeheizt. Die Frage, wie weit in Zukunft die Muellverbrennungsanlagen als Kraftwerke, aber auch die Kraftwerke als Muellverbrennungsanlagen angesehen werden muessen, ist noch offen. (orig.)

  8. NMR Phase Noise in Bitter Magnets

    Science.gov (United States)

    Sigmund, E. E.; Calder, E. S.; Thomas, G. W.; Mitrović, V. F.; Bachman, H. N.; Halperin, W. P.; Kuhns, P. L.; Reyes, A. P.

    2001-02-01

    We have studied the temporal instability of a high field resistive Bitter magnet through nuclear magnetic resonance (NMR). This instability leads to transverse spin decoherence in repeated and accumulated NMR experiments as is normally performed during signal averaging. We demonstrate this effect via Hahn echo and Carr-Purcell-Meiboom-Gill (CPMG) transverse relaxation experiments in a 23-T resistive magnet. Quantitative analysis was found to be consistent with separate measurements of the magnetic field frequency fluctuation spectrum, as well as with independent NMR experiments performed in a magnetic field with a controlled instability. Finally, the CPMG sequence with short pulse delays is shown to be successful in recovering the intrinsic spin-spin relaxation even in the presence of magnetic field temporal instability.

  9. Remote tuning of NMR probe circuits.

    Science.gov (United States)

    Kodibagkar, V D; Conradi, M S

    2000-05-01

    There are many circumstances in which the probe tuning adjustments cannot be located near the rf NMR coil. These may occur in high-temperature NMR, low-temperature NMR, and in the use of magnets with small diameter access bores. We address here circuitry for connecting a fixed-tuned probe circuit by a transmission line to a remotely located tuning network. In particular, the bandwidth over which the probe may be remotely tuned while keeping the losses in the transmission line acceptably low is considered. The results show that for all resonant circuit geometries (series, parallel, series-parallel), overcoupling of the line to the tuned circuit is key to obtaining a large tuning bandwidth. At equivalent extents of overcoupling, all resonant circuit geometries have nearly equal remote tuning bandwidths. Particularly for the case of low-loss transmission line, the tuning bandwidth can be many times the tuned circuit's bandwidth, f(o)/Q. Copyright 2000 Academic Press.

  10. Deuterium NMR, induced and intrinsic cholesteric lyomesophases

    International Nuclear Information System (INIS)

    Alcantara, M.R.

    1982-01-01

    Induced and intrinsic cholesteric lyotropic mesophases were studied. Induced cholesteric lyomesophases based on potassium laurate (KL) system, with small amounts of cholesterol added, were studied by deuterium NMR and by polarizing microscopy. Order profiles obtained from deuterium NMR of KL perdenderated chains in both induced cholesteric and normal mesophases were compared. The intrinsic cholesteric lyotropic mesophases were based on the amphiphile potassium N-lauroyl serinate (KLNS) in the resolved levo form. The study of the type I intrinsic cholesteric mesophase was made by optical microscopy under polarized light and the type II intrinsic cholesteric lyomesophase was characterized by deuterium NMR. The new texture was explained by the use of the theory of disclinations developed for thermotropic liquid crystals, specially for cholesteric type. (M.J.C.) [pt

  11. Determination of solid fat content by NMR

    International Nuclear Information System (INIS)

    Kawada, Tsukasa; Kato, Chihiro; Suzuki, Kazuaki

    1984-01-01

    To establish a standard method for determing solid fat content, the NMR method was tested at six laboratories and the results were examined for collaboration. Two types of instruments, pulse NMR and wide-line NMR were used. Standard deviation in results at six laboratories was less than 1.5 for the step wise method, but more than 1.5 for the rapid method. The standard deviation in results at a single laboratory was much less than either of these cases. No significant difference could be observed in the values obtained using both instruments. Solid fat content values measured for a mixture of fully hydrogenated rapeseed and rapeseed oil agreed well with the percentage of solid by weight. (author)

  12. Muscular pathology: echographic and NMR imaging aspects

    International Nuclear Information System (INIS)

    Pascal-Suisse, P.; Beaurain, P.; Mougniot, C.

    1995-01-01

    A comparison of echographic techniques and NMR imaging has been done for the diagnosis of muscular trauma and tumor pathologies. In traumatic pathology, the echographic analysis allows to determine the complete assessment of recent muscular injuries. NMR imaging can be used in granuloma or fibrous callosity appreciation and for the analysis of deep injury (muscles and muscles-tendon junctions) and of muscular aponeurosis. Echography must be used together with color coding Doppler technique in the diagnosis of tumor pathology and for the study of slow fluxes. The recently available energy Doppler technique seems to be powerful in the study of vascularization of small expansive formations, but their extension to adjacent bone or tissue can only be appreciated using NMR imaging. (J.S.)

  13. Recent developments in the electricity generation market in 2014; Aktuelle Entwicklungen auf dem Stromerzeugungsmarkt im Jahr 2014

    Energy Technology Data Exchange (ETDEWEB)

    Hofmann, Holger [Oppenhoff und Partner Rechtsanwaelte Steuerberater mbB, Koeln (Germany)

    2015-02-16

    Following up the report on the developments in the Electricity market from last year to this case this article shall give an overview of the current developments in 2014. The year 2014 was marked by the energy sector Program of the coalition agreement, which, under the three objectives of security of supply Affordability and environmental impact which has made clear Specifications for the production side in particular with regard to the final Nuclear Phase-out phase, the announced amendment of the EEG, system stability and also Fracking. The predominant theme in 2014 this was certainly the reform of the EEG and around it rambling topics on European level. Too much uncertainty with plant operators, investors and companies in German power generation market, has led in addition to the mentioned legislative package the revision of the EU environmental and energy aid guidelines, State aid procedure of the European Commission regarding the German promotion of electricity from renewable Energy and the process in the case of Aaland Vindkraft before the ECJ. The dynamics on the generation side, inter alia through the increased connection of decentralized generation plants, result in an increasing regulation in power generation. Finally a first bill for Fracking is published at the end of 2014. [German] Anknuepfend an den Bericht ueber die Entwicklungen auf dem Stromerzeugungsmarkt aus dem letzten Jahr soll dieser Beitrag einen Ueberblick ueber die aktuellen Entwicklungen in 2014 geben. Das Jahr 2014 war gepraegt von dem energiewirtschaftlichen Programm des Koalitionsvertrags, das unter dem Zieldreieck aus Versorgungssicherheit, Preisguenstigkeit und Umweltvertraeglichkeit klare Vorgaben fuer die Erzeugerseite vor allem mit Blick auf den endgueltigen Atomausstieg, die angekuendigte Novellierung des EEG, Systemstabilitaet und auch Fracking gemacht hat. Das vorherrschende Thema im Jahr 2014 war hierbei sicherlich die Reform des EEG sowie die sich darum rankenden Themen auf

  14. Contact replacement for NMR resonance assignment.

    Science.gov (United States)

    Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

    2008-07-01

    Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

  15. Prediction of peak overlap in NMR spectra

    International Nuclear Information System (INIS)

    Hefke, Frederik; Schmucki, Roland; Güntert, Peter

    2013-01-01

    Peak overlap is one of the major factors complicating the analysis of biomolecular NMR spectra. We present a general method for predicting the extent of peak overlap in multidimensional NMR spectra and its validation using both, experimental data sets and Monte Carlo simulation. The method is based on knowledge of the magnetization transfer pathways of the NMR experiments and chemical shift statistics from the Biological Magnetic Resonance Data Bank. Assuming a normal distribution with characteristic mean value and standard deviation for the chemical shift of each observable atom, an analytic expression was derived for the expected overlap probability of the cross peaks. The analytical approach was verified to agree with the average peak overlap in a large number of individual peak lists simulated using the same chemical shift statistics. The method was applied to eight proteins, including an intrinsically disordered one, for which the prediction results could be compared with the actual overlap based on the experimentally measured chemical shifts. The extent of overlap predicted using only statistical chemical shift information was in good agreement with the overlap that was observed when the measured shifts were used in the virtual spectrum, except for the intrinsically disordered protein. Since the spectral complexity of a protein NMR spectrum is a crucial factor for protein structure determination, analytical overlap prediction can be used to identify potentially difficult proteins before conducting NMR experiments. Overlap predictions can be tailored to particular classes of proteins by preparing statistics from corresponding protein databases. The method is also suitable for optimizing recording parameters and labeling schemes for NMR experiments and improving the reliability of automated spectra analysis and protein structure determination.

  16. Applications of NMR spectroscopy to xenobiotic metabolism

    International Nuclear Information System (INIS)

    Harris, T.M.

    1989-01-01

    Recent years have seen high field NMR spectrometers become commonplace in research laboratories. At the same time, major advances in methodology for structural analysis have occurred, particularly notable among these being the development of two-dimensional spectroscopic techniques. Many applications have been made of NMR spectroscopy in the study of xenobiotic metabolic processes. This deals with two specific applications which have been made in the author's laboratory and involve mechanistic studies of the reactions of the carcinogens ethylene dibromide and aflatoxin with DNA

  17. Tritiation methods and tritium NMR spectroscopy

    International Nuclear Information System (INIS)

    Jaiswal, D.K.; Morimoto, H.; Salijoughian, M.; Williams, P.G.

    1991-09-01

    We have used a simple process for the production of highly tritiated water and characterized the product species by 1 H and 3 H NMR spectroscopy. The water is readily manipulated and used in subsequent reactions either as T 2 O, CH 3 COOT or CF 3 COOT. Development of tritiated diimide has progressed to the point where cis-hydrogenated products at 1-20 Ci/mmole S.A. are possible. Tri-n-butyl tin tritide has been produced at >95% tritium content and well characterized by multinuclear NMR techniques. 27 refs., 3 figs

  18. Applications of NMR in biological metabolic research

    International Nuclear Information System (INIS)

    Nie Jiarui; Li Xiuqin; He Chunjian

    1989-01-01

    The nuclear magnetic resonance has become a powerful means of studying biological metabolism in non-invasive and non-destructive way. Being used to study the metabolic processes of living system in normal physiological conditions as well as in molecular level, the method is better than other conventional approaches. Using important parameters such as NMR-chemical shifts, longitudinal relaxation time and transverse relaxation time, it is possible to probe the metabolic processes as well as conformation, concentration, transportation and distribution of reacting and resulting substances. The NMR spectroscopy of 1 H, 31 P and 13 C nuclei has already been widely used in metabolic researches

  19. Deuteron NMR and modelling in solid polymers

    International Nuclear Information System (INIS)

    Hirschinger, J.

    1992-01-01

    Deuteron NMR techniques are described and some recent applications to the study of rotational motions in solid polymers are reviewed. The information content and the domain of applicability of each technique are presented. Ultra-slow motions are studied in real time without any motional model consideration. For very fast motions, computer molecular dynamics simulations are shown to complement the NMR results. Experimental examples deal with the chain motion in the crystalline α-phase of poly(vinylidenefluoride) and nylon 6,6

  20. Programmable pulse series generator for NMR relaxometer

    International Nuclear Information System (INIS)

    Stolbunov, R.N.; Chichikov, S.A.; Lundin, A.G.

    2005-01-01

    Paper describes a pulse series generator for NMR relaxometer. The operation mode is set on the basis of the PC program by the PCI bus in the internal memory. The design is based on two Altera Company MAX7000S and Cyclone family microcircuits using the Qartus II 4.0 software. The basic parameters are as follows: pulse minimum length - 50 ns, time resolution - 10 ns, pulse maximum number - 1024, number of controlled output channels - 8. The designed device as a part of the NMR hardware-software system enables to record, to process and to store the experiment results in the form of electronic document [ru

  1. NMR relaxation times of natural rubber latex

    International Nuclear Information System (INIS)

    Harun, S.; Aziz, H.; Basir, Z.

    1994-01-01

    NMR relaxation times T sub 1 and T sub 2 of natural rubber latex have been measured at 25 degree C on a pulsed NMR spectrometer. The work focuses on the variation of the relaxation times with the amount of water content from 0% to 50%. The water content was adjusted by centrifuging and removing a certain amount of water from the sample. The data were analysed using a biexponential fitting procedure which yields simultaneously either T sub 1a and T sub 1b or T sub 2a and T sub 2b. The amount of solid was compared with the known amount of dry rubber content

  2. Recommendations of the wwPDB NMR Validation Task Force

    Science.gov (United States)

    Montelione, Gaetano T.; Nilges, Michael; Bax, Ad; Güntert, Peter; Herrmann, Torsten; Richardson, Jane S.; Schwieters, Charles; Vranken, Wim F.; Vuister, Geerten W.; Wishart, David S.; Berman, Helen M.; Kleywegt, Gerard J.; Markley, John L.

    2013-01-01

    As methods for analysis of biomolecular structure and dynamics using nuclear magnetic resonance spectroscopy (NMR) continue to advance, the resulting 3D structures, chemical shifts, and other NMR data are broadly impacting biology, chemistry, and medicine. Structure model assessment is a critical area of NMR methods development, and is an essential component of the process of making these structures accessible and useful to the wider scientific community. For these reasons, the Worldwide Protein Data Bank (wwPDB) has convened an NMR Validation Task Force (NMR-VTF) to work with the wwPDB partners in developing metrics and policies for biomolecular NMR data harvesting, structure representation, and structure quality assessment. This paper summarizes the recommendations of the NMR-VTF, and lays the groundwork for future work in developing standards and metrics for biomolecular NMR structure quality assessment. PMID:24010715

  3. Structural properties of carbon nanotubes derived from 13C NMR

    KAUST Repository

    Abou-Hamad, E.; Babaa, M.-R.; Bouhrara, M.; Kim, Y.; Saih, Y.; Dennler, S.; Mauri, F.; Basset, Jean-Marie; Goze-Bac, C.; Wå gberg, T.

    2011-01-01

    We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled

  4. nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data.

    Science.gov (United States)

    Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph A; Marcu, Ana; Grant, Jason R; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis F; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy M D; Hao, Jie; Ludwig, Christian; Günther, Ulrich L; Rosato, Antonio; Klein, Matthias S; Lewis, Ian A; Luchinat, Claudio; Jones, Andrew R; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian L; Viant, Mark R; Wishart, David S; Steinbeck, Christoph; Salek, Reza M; Neumann, Steffen

    2018-01-02

    NMR is a widely used analytical technique with a growing number of repositories available. As a result, demands for a vendor-agnostic, open data format for long-term archiving of NMR data have emerged with the aim to ease and encourage sharing, comparison, and reuse of NMR data. Here we present nmrML, an open XML-based exchange and storage format for NMR spectral data. The nmrML format is intended to be fully compatible with existing NMR data for chemical, biochemical, and metabolomics experiments. nmrML can capture raw NMR data, spectral data acquisition parameters, and where available spectral metadata, such as chemical structures associated with spectral assignments. The nmrML format is compatible with pure-compound NMR data for reference spectral libraries as well as NMR data from complex biomixtures, i.e., metabolomics experiments. To facilitate format conversions, we provide nmrML converters for Bruker, JEOL and Agilent/Varian vendor formats. In addition, easy-to-use Web-based spectral viewing, processing, and spectral assignment tools that read and write nmrML have been developed. Software libraries and Web services for data validation are available for tool developers and end-users. The nmrML format has already been adopted for capturing and disseminating NMR data for small molecules by several open source data processing tools and metabolomics reference spectral libraries, e.g., serving as storage format for the MetaboLights data repository. The nmrML open access data standard has been endorsed by the Metabolomics Standards Initiative (MSI), and we here encourage user participation and feedback to increase usability and make it a successful standard.

  5. Software Library for Bruker TopSpin NMR Data Files

    Energy Technology Data Exchange (ETDEWEB)

    2016-10-14

    A software library for parsing and manipulating frequency-domain data files that have been processed using the Bruker TopSpin NMR software package. In the context of NMR, the term "processed" indicates that the end-user of the Bruker TopSpin NMR software package has (a) Fourier transformed the raw, time-domain data (the Free Induction Decay) into the frequency-domain and (b) has extracted the list of NMR peaks.

  6. NMR imaging of the cardiovascular system

    International Nuclear Information System (INIS)

    Canby, R.C.; Evanochko, W.T.; Pohost, G.M.

    1986-01-01

    Proton nuclear magnetic resonance (NMR) imaging permits high-resolution tomographic and three-dimensional images of the human body to be obtained without exposure to ionizing radiation. Such imaging not only yields anatomic resolution comparable to X-ray examinations but also provides a potential means to discriminate between healthy tissue and diseased tissue. This potential is based on certain NMR properties known as relaxation times, which determine, in part, the signal intensity in an image. These properties are related to such factors as the sizes and concentrations of proteins and mobile lipids and the compartmentalization of the protons of water. Although NMR imaging (also called magnetic resonance imaging, MRI) is becoming widely available for clinical use, application to the cardiovascular system, though promising, remains primarily a research tool. Gated proton NMR imaging can generate cardiac images with excellent morphologic detail and contrast; however, its ultimate importance as a cardiovascular diagnostic modality will depend on the development of several unique applications. These applications are discussed in this paper

  7. NMR imaging of the musculoskeletal system

    International Nuclear Information System (INIS)

    Naegele, M.; Lienemann, A.; Hahn, D.

    1988-01-01

    NMR imaging now allows in vivo imaging of soft tissue hitherto undetectable by non-invasive means. This opens up excellent perspectives with regard to the diagnosis and therapy of various diseases in the field of traumatology and oncology, of which examples are discussed in this paper. (orig.) [de

  8. Fourier transform zero field NMR and NQR

    International Nuclear Information System (INIS)

    Zax, D.B.

    1985-01-01

    In many systems the chemical shifts measured by traditional high resolution solid state NMR methods are insufficiently sensitive, or the information contained in the dipole-dipole couplings is more important. In these cases, Fourier transform zero field magnetic resonance may make an important contribution. Zero field NMR and NQR is the subject of this thesis. Chapter I presents the quantum mechanical background and notational formalism for what follows. Chapter II gives a brief review of high resolution magnetic resonance methods, with particular emphasis on techniques applicable to dipole-dipole and quadrupolar couplings. Level crossings between spin-1/2 and quadrupolar spins during demagnetization transfer polarization from high to low λ nuclei. This is the basis of very high sensitivity zero field NQR measurements by field cycling. Chapter III provides a formal presentation of the high resolution Fourier transform zero field NMR method. Theoretical signal functions are calculated for common spin systems, and examples of typical spectra are presented. Chapters IV and V review the experimental progress in zero field NMR of dipole-dipole coupled spin-1/2 nuclei and for quadrupolar spin systems. Variations of the simple experiment describe in earlier chapters that use pulsed dc fields are presented in Chapter VI

  9. NMR analog of Bell's inequalities violation test

    International Nuclear Information System (INIS)

    Souza, A M; Oliveira, I S; Sarthour, R S; Magalhaes, A; Teles, J; Azevedo, E R de; Bonagamba, T J

    2008-01-01

    In this paper, we present an analog of Bell's inequalities violation test for N qubits to be performed in a nuclear magnetic resonance (NMR) quantum computer. This can be used to simulate or predict the results for different Bell's inequality tests, with distinct configurations and a larger number of qubits. To demonstrate our scheme, we implemented a simulation of the violation of the Clauser, Horne, Shimony and Holt (CHSH) inequality using a two-qubit NMR system and compared the results to those of a photon experiment. The experimental results are well described by the quantum mechanics theory and a local realistic hidden variables model (LRHVM) that was specifically developed for NMR. That is why we refer to this experiment as a simulation of Bell's inequality violation. Our result shows explicitly how the two theories can be compatible with each other due to the detection loophole. In the last part of this work, we discuss the possibility of testing some fundamental features of quantum mechanics using NMR with highly polarized spins, where a strong discrepancy between quantum mechanics and hidden variables models can be expected

  10. NMR Analysis of Some Pentacycloundecanedione Derivatives

    African Journals Online (AJOL)

    NJD

    Although many authors have commented on the difficulty of ... coming these former difficulties. Cookson's dione 19,10 .... and 2.58 ppm) is the common factor and the positions of H-2. (2.94 ppm) .... Owing to advances in NMR technology, the.

  11. Proton NMR imaging in experimental ischemic infarction

    International Nuclear Information System (INIS)

    Buonanno, F.S.; Pykett, I.L.; Brady, T.J.; Vielma, J.; Burt, C.T.; Goldman, M.R.; Hinshaw, W.S.; Pohost, G.M.; Kistler, J.P.

    1983-01-01

    Proton nuclear magnetic resonance (NMR) images depict the distribution and concentration of mobile protons modified by the relaxation times T1 and T2. Using the steady-state-free-precession (SSFP) technique, serial coronal images were obtained sequentially over time in laboratory animals with experimental ischemic infarction. Image changes were evident as early as 2 hours after carotid artery ligation, and corresponded to areas of ischemic infarction noted pathologically. Resulting SSFP images in experimental stroke are contrasted to inversion-recovery NMR images in an illustrative patient with established cerebral infarction. Bulk T1 and T2 measurements were made in vitro in three groups of gerbils: normal, those with clinical evidence of infarction, and those clinically normal after carotid ligature. Infarcted hemispheres had significantly prolonged T1 and T2 (1.47 +/- .12 sec, 76.0 +/- 9.0 msec, respectively) when compared to the contralateral hemisphere (T1 . 1.28 +/- .05 sec, T2 . 58.7 +/- 3.9 msec) or to the other two groups. These data suggest that changes in NMR parameters occur and can be detected by NMR imaging as early as two hours after carotid artery ligation

  12. Hyperpolarized NMR Probes for Biological Assays

    Directory of Open Access Journals (Sweden)

    Sebastian Meier

    2014-01-01

    Full Text Available During the last decade, the development of nuclear spin polarization enhanced (hyperpolarized molecular probes has opened up new opportunities for studying the inner workings of living cells in real time. The hyperpolarized probes are produced ex situ, introduced into biological systems and detected with high sensitivity and contrast against background signals using high resolution NMR spectroscopy. A variety of natural, derivatized and designed hyperpolarized probes has emerged for diverse biological studies including assays of intracellular reaction progression, pathway kinetics, probe uptake and export, pH, redox state, reactive oxygen species, ion concentrations, drug efficacy or oncogenic signaling. These probes are readily used directly under natural conditions in biofluids and are often directly developed and optimized for cellular assays, thus leaving little doubt about their specificity and utility under biologically relevant conditions. Hyperpolarized molecular probes for biological NMR spectroscopy enable the unbiased detection of complex processes by virtue of the high spectral resolution, structural specificity and quantifiability of NMR signals. Here, we provide a survey of strategies used for the selection, design and use of hyperpolarized NMR probes in biological assays, and describe current limitations and developments.

  13. Structural Studies of Biological Solids Using NMR

    Science.gov (United States)

    Ramamoorthy, Ayyalusamy

    2011-03-01

    High-resolution structure and dynamics of biological molecules are important in understanding their function. While studies have been successful in solving the structures of water-soluble biomolecules, it has been proven difficult to determine the structures of membrane proteins and fibril systems. Recent studies have shown that solid-state NMR is a promising technique and could be highly valuable in studying such non-crystalline and non-soluble biosystems. I will present strategies to study the structures of such challenging systems and also about the applications of solid-state NMR to study the modes of membrane-peptide interactions for a better assessment of the prospects of antimicrobial peptides as substitutes to antibiotics in the control of human disease. Our studies on the mechanism of membrane disruption by LL-37 (a human antimicrobial peptide), analogs of the naturally occurring antimicrobial peptide magainin2 extracted from the skin of the African frog Xenopus Laevis, and pardaxin will be presented. Solid-state NMR experiments were used to determine the secondary structure, dynamics and topology of these peptides in lipid bilayers. Similarities and difference in the cell-lysing mechanism, and their dependence on the membrane composition, of these peptides will be discussed. Atomic-level resolution NMR structures of amyloidogenic proteins revealing the misfolding pathway and early intermediates that play key roles in amyloid toxicity will also be presented.

  14. Synthesis and NMR elucidation of novel pentacycloundecane ...

    African Journals Online (AJOL)

    NICO

    SYNTHESIS AND NMR ELUCIDATION OF NOVEL. PENTACYCLOUNDECANE DERIVED PEPTIDES. Rajshekhar Karpoormath, a. Oluseye K. Onajole, a. Thavendran Govender, b. Glenn E. M. Maguire, a and Hendrik G. Kruger a* a. School of Chemistry, University of KwaZulu-Natal, Durban 4001, South Africa b. School of ...

  15. The bar coil for NMR tomograph

    International Nuclear Information System (INIS)

    Bogorodzki, P.; Piatkowski, A.; Wasielewski, J.

    1995-01-01

    The bar coil (bi-planar) for the NMR tomograph, designed for medical diagnostics, has been described. The tests of coil shown that it generates good homogenous magnetic field in a big volume what results in improving of the signal-to-noise ratio

  16. NMR characterization of polymers: Review and update

    Science.gov (United States)

    NMR spectroscopy is a major technique for the characterization and analysis of polymers. A large number of methodologies have been developed in both the liquid and the solid state, and the literature has grown considerably (1-5). The field now covers a broad spectrum of activities, including polym...

  17. Some exercises in quantitative NMR imaging

    International Nuclear Information System (INIS)

    Bakker, C.J.G.

    1985-01-01

    The articles represented in this thesis result from a series of investigations that evaluate the potential of NMR imaging as a quantitative research tool. In the first article the possible use of proton spin-lattice relaxation time T 1 in tissue characterization, tumor recognition and monitoring tissue response to radiotherapy is explored. The next article addresses the question whether water proton spin-lattice relaxation curves of biological tissues are adequately described by a single time constant T 1 , and analyzes the implications of multi-exponentiality for quantitative NMR imaging. In the third article the use of NMR imaging as a quantitative research tool is discussed on the basis of phantom experiments. The fourth article describes a method which enables unambiguous retrieval of sign information in a set of magnetic resonance images of the inversion recovery type. The next article shows how this method can be adapted to allow accurate calculation of T 1 pictures on a pixel-by-pixel basis. The sixth article, finally, describes a simulation procedure which enables a straightforward determination of NMR imaging pulse sequence parameters for optimal tissue contrast. (orig.)

  18. Structures of Biomolecules by NMR Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    an edge over the X-ray method as it can be used to study biomolecules ... currently as an Associate. Professor. ... Such a wealth of data is made available to the NMR ... important step towards structural characterization of a biomolecule. Box 1.

  19. NMR blood vessel imaging method and apparatus

    International Nuclear Information System (INIS)

    Riederer, S.J.

    1988-01-01

    A high speed method of forming computed images of blood vessels based on measurements of characteristics of a body is described comprising the steps of: subjecting a predetermined body area containing blood vessels of interest to, successively, applications of a short repetition time (TR) NMR pulse sequence during the period of high blood velocity and then to corresponding applications during the period of low blood velocity for successive heart beat cycles; weighting the collected imaging data from each application of the NMR pulse sequence according to whether the data was acquired during the period of high blood velocity or a period of low blood velocity of the corresponding heart beat cycle; accumulating weighted imaging data from a plurality of NMR pulse sequences corresponding to high blood velocity periods and from a plurality of NMR pulse sequences corresponding to low blood velocity periods; subtracting the weighted imaging data corresponding to each specific phase encoding acquired during the high blood velocity periods from the weighted imaging data for the same phase encoding corresponding to low blood velocity periods in order to compute blood vessel imaging data; and forming an image of the blood vessels of interest from the blood vessel imaging data

  20. Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem

    2018-04-18

    Metabolomics has made significant progress in multiple fronts in the last 18 months. This minireview aimed to give an overview of these advancements in the light of their contribution to targeted and untargeted metabolomics. New computational approaches have emerged to overcome manual absolute quantitation step of metabolites in 1D 1H NMR spectra. This provides more consistency between inter-laboratory comparisons. Integration of 2D NMR metabolomics databases under a unified web server allowed very accurate identification of the metabolites that have been catalogued in these databases. For the remaining uncatalogued and unknown metabolites, new cheminformatics approaches have been developed by combining NMR and mass spectrometry. These hybrid NMR/MS approaches accelerated the identification of unknowns in untargeted studies, and now they are allowing to profile ever larger number of metabolites in application studies.

  1. Solid-state NMR spectroscopy on complex biomolecules

    NARCIS (Netherlands)

    Renault, M.A.M.; Cukkemane, A.A.; Baldus, M.

    2010-01-01

    Biomolecular applications of NMR spectroscopy are often merely associated with soluble molecules or magnetic resonance imaging. However, since the late 1970s, solid-state NMR (ssNMR) spectroscopy has demonstrated its ability to provide atomic-level insight into complex biomolecular systems ranging

  2. Polymeric proanthocyanidins 13C NMR studies of procyanidins

    Science.gov (United States)

    Lawrence J. Porter; Roger H. Newman; Lai Yeap Foo; Herbert Wong; Richard W. Hemingway

    1982-01-01

    Proanthocyanidin polymers have been shown to consist entirely of flavan-3-ol units by a combination of techniques including 13C n.m.r. spectroscopy. The 13C n.m.r. spectra of the polymers and related molecules are now considered in more detail. Prior to this study UC n.m.r. data has been published of procyanidins and...

  3. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    Energy Technology Data Exchange (ETDEWEB)

    Schot, Gijs van der [Uppsala University, Laboratory of Molecular Biophysics, Department of Cell and Molecular Biology (Sweden); Bonvin, Alexandre M. J. J., E-mail: a.m.j.j.bonvin@uu.nl [Utrecht University, Faculty of Science – Chemistry, Bijvoet Center for Biomolecular Research (Netherlands)

    2015-08-15

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665–1674, 2005b, doi: 10.1021/ja047109h 10.1021/ja047109h ). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27–35, 2013, doi: 10.1007/s10858-013-9762-6 10.1007/s10858-013-9762-6 ), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution.

  4. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    International Nuclear Information System (INIS)

    Schot, Gijs van der; Bonvin, Alexandre M. J. J.

    2015-01-01

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665–1674, 2005b, doi: 10.1021/ja047109h 10.1021/ja047109h ). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27–35, 2013, doi: 10.1007/s10858-013-9762-6 10.1007/s10858-013-9762-6 ), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution

  5. Hydrological modeling in the regional scala; Hydrologische Modellierung auf der regionalen Skala

    Energy Technology Data Exchange (ETDEWEB)

    Lohmann, D. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Atmosphaerenphysik

    1996-12-31

    The present work describes the hydrological processes of the land-surface and their modelling on spatial and temporal scales of today`s regional climate and weatherprediction models. The components of the water cycle and the most important termsand model concepts of the soil-vegetation-atmosphere interface are introduced. The main task of this work is the development of a hydrological model, which can be coupled to regionalatmospheric models and is able to predict streamflow. The discussion of the necessary complexity of the land-surface-parameterizations leads to a consistent model structure. Daily measured meteorological time series of about 15 years in the catchment of the Weser river are used to force the VIC-2L model offline. The VIC-2L model is coupled to a linear horizontaltransport model to allow for a comparison of measured and modelled streamflow data. Measured and modelled discharge time series are compared, a sensitivity study is performed. (orig.) [Deutsch] Die vorliegende Arbeit beschreibt die hydrologischen Prozesse am Erdboden und ihre Modellierung auf der raeumlichen und zeitlichen Skala heutiger regionaler Klima- und Wettervorhersagemodelle. Dazu werden die Komponenten des Wasserkreislaufs und die wichtigsten Begriffe und Modellkonzepte der Boden-Vegetation-Atmosphaerenwechselwirkung kurz vorgestellt. Ziel der Arbeit ist Entwicklung eines an regionale Atmosphaerenmodelle koppelbaren Hydrologiemodells, welches in der Lage ist, Abflussmengen in Fluessen richtig zu beschreiben. Aus der Diskussion ueber die notwendige Komplexitaet der Landoberflaechenparametrisierungen wird eine konsistente Modellstruktur hergeleitet. Taeglich gemessene meteorologische Zeitreihen im Wassereinzugsgebiet der Weser von nahezu 15 Jahren dienen als entkoppelter Antrieb fuer das VIC-2L-Modell. Um den Vergleich von gemessenen und modellierten Abflussmengen zu ermoeglichen, wird an das VIC-2L-Modell ein lineares horizontales Transportmodell gekoppelt. Gemessene und

  6. Ein kombinierter Operationsansatz zur Therapie der rektovaginalen Endometriose auf der Basis histologischer Befunde

    Directory of Open Access Journals (Sweden)

    Köhler C

    2008-01-01

    Full Text Available Einleitung: Eine Endometriose des Septum rectovaginale kann oberflächlich dem Darm aufliegen oder die Darmwand infiltrieren. Durch bildgebende Verfahren kann jedoch präoperativ eine Infiltration des Darms weder hinreichend bestätigt noch ausgeschlossen werden, was zu einem therapeutischen Dilemma führt, da nur die Darmwand eindeutig infiltrierende Endometrioseprozesse durch eine Darmresektion behandelt werden sollten. Wir möchten ein neues Operationsverfahren vorstellen, das eine intraoperative Differenzierung zwischen einer oberflächlichen und einer infiltrativen Darmendometriose erlaubt. Patienten und Methodik: 70 Patientinnen mit rektovaginaler Endometriose wurden nach einem neu entwickelten kombinierten vaginal-laparoskopisch-abdominalen Verfahren operiert. Diese Operationsmethode wird Schritt für Schritt vorgestellt. Die Entscheidung zur Darmresektion wurde dabei allein aufgrund der intraoperativen Befunde und nicht aufgrund der präoperativen bildgebenden Diagnostik getroffen. Alle Resektate wurden standardisiert histologisch aufgearbeitet. Ergebnisse: Ob eine Darmresektion notwendig war, ließ sich intraoperativ anhand der Präparation des rektovaginalen Septums entscheiden. Daher wurden nur bei Patientinnen mit gesichertem infiltrativem Darmbefall Darmresektionen unter Erhalt des Mesointestinums durchgeführt. Weder intraoperative noch postoperative Komplikationen wie Anastomoseninsuffizienzen oder Restharnmengen traten auf. Diskussion: Die vorgestellte Operationsmethode zur Therapie der rektovaginalen Endometriose erlaubt eine exakte Diagnosestellung und präzise Therapieentscheidung bei minimaler Morbidität. Die Resektion des Darmschlauches ohne Mesoresektion ist ausreichend, da sich die Endometrioseknoten – wie histologisch bewiesen wurde – nur im ventralen Darmbereich befinden. Durch die Mesoerhaltung werden die vegetativen Funktionen des kleinen Beckens nicht beeinträchtigt.

  7. Von kleinen Stupsern und großen Schubsern – Politik und Ethik des Libertären Paternalismus auf dem Prüfstand

    Directory of Open Access Journals (Sweden)

    Drerup Johannes

    2016-07-01

    Full Text Available Das von Cass Sunstein und Richard Thaler ausgearbeitete Projekt eines Libertären Paternalismus stellt fraglos einen der zurzeit meistdiskutierten neopaternalistischen Theorieentwürfe dar. Als hybride Mischung zwischen Theorieprogramm, politischer Bewegung und praxis- und anwendungsorientiertem Policy-Manual, das zuweilen Züge eines populären philosophischen Lebensratgebers trägt, hat Libertärer Paternalismus viel Zuspruch, aber auch heftige Kritik auf sich gezogen, die in diesem Aufsatz auf ihre Plausibilität geprüft werden. Zu diesem Zweck geben die Autoren zunächst einen kurzen Überblick über Ausgangspunkte, Leitorientierungen und Problemvorgaben des Theorie- und Politikprogramms des Libertären Paternalismus. In einem zweiten Schritt werden zentrale (metaphorische Konzepte und Unterscheidungen des libertär paternalistischen Rationales vorgestellt und problematisiert. Daran anschließend werden drei der prominentesten Kritikpunkte an Libertärem Paternalismus auf den Prüfstand gestellt. Hierzu gehören der Manipulationseinwand, Kritiken, die sich auf grundlegende Rechtfertigungsprobleme des Libertären Paternalismus beziehen, und Einwände, die auf langfristige negative Folgen des Nudging verweisen („Slippery-Slope-Argumente“.

  8. First NMR Experiments in the Hybrid, 40T and beyond: A challenge to traditional NMR instrumentation

    Science.gov (United States)

    Reyes, Arneil P.

    2001-03-01

    The recent commissioning of the continuous 45T hybrid magnet at NHMFL has opened new horizon for science but carried with it new challenges that forced NMR spectroscopists to reevaluate the traditional approach to NMR instrumentation. Very recently, a world record frequency at 1.5GHz has been achieved, signaling the new era of NMR probe designs that may someday blur the distinction between the classic NMR and millimeter-wave spectroscopies. No longer can we ignore stray capacitances and exposed leads in the terrain where every millimeter of cable counts. The challenge brought about by ever increasing fields and consequently, frequency, requirements has stimulated ingenuity among scientists. This is eased by accelerated growth in RF communications and computing technologies that made available advanced devices with more speed, power, bandwidth, noise immunity, flexibility, and complexity in small space at very low costs. Utilization of these devices have been paramount consideration in cutting-edge designs at NHMFL for Condensed Matter NMR and will be described in this talk. I will also discuss a number of first >33T NMR experiments to date utilizing the strength of the field to expose, as well as to induce occurrence of, new physical phenomena in condensed matter and which resulted in better understanding of the physics of materials. This work has been a result of continuing collaboration with P. L Kuhns, W. G. Moulton, W. P. Halperin (NU), and W. G. Clark (UCLA). The NHMFL is supported through the National Science Foundation and the State of Florida.

  9. Direct 13C NMR Detection in HPLC Hyphenation Mode

    DEFF Research Database (Denmark)

    Wubshet, Sileshi Gizachew; Johansen, Kenneth; Nyberg, Nils

    2012-01-01

    Solid phase extraction (SPE) was introduced as a crucial step in the HPLC-SPE-NMR technique to enable online analyte enrichment from which proton-detected NMR experiments on submicrogram amounts from complex mixtures were possible. However, the significance of direct-detected (13)C NMR experiments...... application of HPLC-SPE-NMR analysis using direct-detected (13)C NMR spectra. HPLC column loading, accumulative SPE trappings, and the effect of different elution solvents were evaluated and optimized. A column loading of approximately 600 mug of a prefractionated triterpenoid mixture, six trappings...

  10. Use of NMR as an online sensor in industrial processes

    International Nuclear Information System (INIS)

    Andrade, Fabiana Diuk de

    2012-01-01

    Nuclear magnetic resonance (NMR) is one of the most versatile analytical techniques for chemical, biochemical and medical applications. Despite this great success, NMR is seldom used as a tool in industrial applications. The first application of NMR in flowing samples was published in 1951. However, only in the last ten years Flow NMR has gained momentum and new and potential applications have been proposed. In this review we present the historical evolution of flow or online NMR spectroscopy and imaging, and current developments for use in the automation of industrial processes. (author)

  11. Acute pain treatment on postoperative and medical non-surgical wards [Akutschmerztherapie auf operativen und konservativen Stationen

    Directory of Open Access Journals (Sweden)

    Korczak, Dieter

    2013-05-01

    Full Text Available [english] The effectiveness of acute pain treatment in hospitals is examined. An efficient therapy of acute pain is efficient and cost-effective. Although every patient is entitled for the relief of pain, many hospitals do not treat acute pain in an optimal manner.[german] Es wird die Effektivität der Akutschmerztherapie in Krankenhäusern untersucht. Eine effiziente Behandlung akuter Schmerzen ist wirksam und spart Kosten. Obwohl jeder Patient Anspruch auf Linderung seiner Schmerzen hat, behandeln viele Krankenhäuser akute Schmerzen noch nicht optimal.

  12. Solid-state NMR basic principles and practice

    CERN Document Server

    Apperley, David C; Hodgkinson, Paul

    2014-01-01

    Nuclear Magnetic Resonance (NMR) has proved to be a uniquely powerful and versatile tool for analyzing and characterizing chemicals and materials of all kinds. This book focuses on the latest developments and applications for "solid-state" NMR, which has found new uses from archaeology to crystallography to biomaterials and pharmaceutical science research. The book will provide materials engineers, analytical chemists, and physicists, in and out of lab, a survey of the techniques and the essential tools of solid-state NMR, together with a practical guide on applications. In this concise introduction to the growing field of solid-state nuclear magnetic resonance spectroscopy The reader will find: * Basic NMR concepts for solids, including guidance on the spin-1/2 nuclei concept * Coverage of the quantum mechanics aspects of solid state NMR and an introduction to the concept of quadrupolar nuclei * An understanding relaxation, exchange and quantitation in NMR * An analysis and interpretation of NMR data, with e...

  13. NMR shielding calculations across the periodic table: diamagnetic uranium compounds. 2. Ligand and metal NMR.

    Science.gov (United States)

    Schreckenbach, Georg

    2002-12-16

    In this and a previous article (J. Phys. Chem. A 2000, 104, 8244), the range of application for relativistic density functional theory (DFT) is extended to the calculation of nuclear magnetic resonance (NMR) shieldings and chemical shifts in diamagnetic actinide compounds. Two relativistic DFT methods are used, ZORA ("zeroth-order regular approximation") and the quasirelativistic (QR) method. In the given second paper, NMR shieldings and chemical shifts are calculated and discussed for a wide range of compounds. The molecules studied comprise uranyl complexes, [UO(2)L(n)](+/-)(q); UF(6); inorganic UF(6) derivatives, UF(6-n)Cl(n), n = 0-6; and organometallic UF(6) derivatives, UF(6-n)(OCH(3))(n), n = 0-5. Uranyl complexes include [UO(2)F(4)](2-), [UO(2)Cl(4)](2-), [UO(2)(OH)(4)](2-), [UO(2)(CO(3))(3)](4-), and [UO(2)(H(2)O)(5)](2+). For the ligand NMR, moderate (e.g., (19)F NMR chemical shifts in UF(6-n)Cl(n)) to excellent agreement [e.g., (19)F chemical shift tensor in UF(6) or (1)H NMR in UF(6-n)(OCH(3))(n)] has been found between theory and experiment. The methods have been used to calculate the experimentally unknown (235)U NMR chemical shifts. A large chemical shift range of at least 21,000 ppm has been predicted for the (235)U nucleus. ZORA spin-orbit appears to be the most accurate method for predicting actinide metal chemical shifts. Trends in the (235)U NMR chemical shifts of UF(6-n)L(n) molecules are analyzed and explained in terms of the calculated electronic structure. It is argued that the energy separation and interaction between occupied and virtual orbitals with f-character are the determining factors.

  14. DNA oligonucleotide conformations: high resolution NMR studies

    International Nuclear Information System (INIS)

    Mellema, J.-R.

    1984-01-01

    The present work describes a DNA double-helix model, which is well comparable with the models derived from fibre-diffraction studies. The model has a mononucleotide repeat with torsion angles in accordance with average geometries as derived from 1 H NMR studies. Special attention was paid to reduce the number of short H-H nonbonding contacts, which are abundantly present in the 'classical' fibre-diffraction models. Chapter 3 describes the first complete assignment of a 1 H NMR spectrum of a DNA tetramer, d(TAAT). Preliminary conformational data derived from the spectral parameters recorded at 27 0 C are given. A more detailed analysis employing temperature-dependence studies is given in Chapter 4. (Auth.)

  15. Some nitrogen-14 NMR studies in solids

    Energy Technology Data Exchange (ETDEWEB)

    Pratum, T.K.

    1983-11-01

    The first order quadrupolar perturbation of the /sup 14/N NMR spectrum yields information regarding the static and dynamic properties of the surrounding electronic environment. Signal to noise problems caused by long /sup 14/N longitudinal relaxation times (T/sub 1/) and small equilibrium polarizations are reduced by rotating frame cross polarization (CP) experiments between /sup 14/N and /sup 1/H. Using quadrupolar echo and CP techniques, the /sup 14/N quadrupolar coupling constants (e/sup 2/qQ/h) and asymmetry parameters (eta) have been obtained for a variety of tetraalkylammonium compounds by observation of their quadrupolar powder patterns at various temperatures. For choline chloride and iodide the /sup 14/N NMR powder patterns exhibit the effects of anisotropic molecular motion, while choline bromide spectra show no such effects.

  16. Fully automated system for pulsed NMR measurements

    International Nuclear Information System (INIS)

    Cantor, D.M.

    1977-01-01

    A system is described which places many of the complex, tedious operations for pulsed NMR experiments under computer control. It automatically optimizes the experiment parameters of pulse length and phase, and precision, accuracy, and measurement speed are improved. The hardware interface between the computer and the NMR instrument is described. Design features, justification of the choices made between alternative design strategies, and details of the implementation of design goals are presented. Software features common to all the available experiments are discussed. Optimization of pulse lengths and phases is performed via a sequential search technique called Uniplex. Measurements of the spin-lattice and spin-spin relaxation times and of diffusion constants are automatic. Options for expansion of the system are explored along with some of the limitations of the system

  17. Exploring the limits to spatially resolved NMR

    Energy Technology Data Exchange (ETDEWEB)

    Gaedke, Achim; Nestle, Nikolaus [TU Darmstadt, Institute of Condensed Matter Physics (Germany)

    2010-07-01

    Recent advances in MRI have demonstrated resolutions down to 1 {mu}m. Magnetic resonance force microscopy has the potential to reach sensitivity for single nuclear spins. Given these numbers, in vivo imaging of single cells or even biomacromolecules may seem possible. However, for in vivo applications, there are fundamental differences in the contrast mechanisms compared to MRI at macroscopic scales as the length scale of of molecular self-diffusion exceeds that of the spatial resolution on the NMR time scale. Those effects - which are fundamentally different from the echo attenuation in field gradient NMR - even may lead to general limitations on the spatial resolution achievable in aqueous systems with high water content. In our contribution, we explore those effects on a model system in a high-resolution stray-field imaging setup. In addition to experimental results, simulations based on the Bloch-Torrey equation are presented.

  18. Recent topics in NMR imaging and MRI

    International Nuclear Information System (INIS)

    Watanabe, Tokuko

    2002-01-01

    NMR and NMR imaging (MRI) are finding increasing use not only in the clinical and medical fields, but also in material, physicochemical, biological, geological, industrial and environmental applications. This short review is limited to two topics: new techniques and pulse sequences and their application to non-clinical fields that may have clinical application; and new trends in MR contrast agents. The former topic addresses pulse sequence and data analysis; dynamics such as diffusion, flow, velocity and velocimetry; chemometrics; pharmacological agents; and chemotherapy; the latter topic addresses contrast agents (CA) sensitive to biochemical activity; CA based on water exchange; molecular interactions and stability of CA; characteristics of emerging CA; superparamagnetic CA; and macromolecular CA. (author)

  19. Some nitrogen-14 NMR studies in solids

    International Nuclear Information System (INIS)

    Pratum, T.K.

    1983-11-01

    The first order quadrupolar perturbation of the 14 N NMR spectrum yields information regarding the static and dynamic properties of the surrounding electronic environment. Signal to noise problems caused by long 14 N longitudinal relaxation times (T 1 ) and small equilibrium polarizations are reduced by rotating frame cross polarization (CP) experiments between 14 N and 1 H. Using quadrupolar echo and CP techniques, the 14 N quadrupolar coupling constants (e 2 qQ/h) and asymmetry parameters (eta) have been obtained for a variety of tetraalkylammonium compounds by observation of their quadrupolar powder patterns at various temperatures. For choline chloride and iodide the 14 N NMR powder patterns exhibit the effects of anisotropic molecular motion, while choline bromide spectra show no such effects

  20. NMR dispersion measurement of dynamic nuclear polarization

    International Nuclear Information System (INIS)

    Davies, K.; Cox, S.F.J.

    1978-01-01

    The feasibility of monitoring dynamic nuclear polarization from the NMR dispersive susceptibility is examined. Two prototype instruments are tested in a polarized proton target using organic target material. The more promising employs a tunnel diode oscillator, inside the target cavity, and should provide a precise polarization measurement working at a frequency far enough from the main resonance for the disturbance of the measured polarization to be negligible. Other existing methods for measuring target polarization are briefly reviewed. (author)

  1. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  2. NMR of 1,2-dioxiquinolines

    International Nuclear Information System (INIS)

    Figueroa Villar, Jose Daniel; Santos, N.L. dos

    1993-01-01

    Several derivates of quinoline are known for presenting pharmacological activity as antibiotics and anti-parasites, from which an important group are the antibiotics for the treatment of malaria and infections of the urinary tract. This work presents the structures and the NMR spectra of three new derivates of quinoline. These compounds are being tested as possible antibiotics for the treatment of urinary infections caused by Escherichia coli which are extremely resistant to other types of antibiotics

  3. 31-P NMR spectroscopy in radiotherapy

    International Nuclear Information System (INIS)

    Kiricuta, I.C.; Schmitt, W.G.H.; Beyer, H.K.

    1987-01-01

    Results suggest 31-P NMR spectroscopy to allow a discrimination between good and bad blood supply to the tumour owing to different metabolic behaviour and to furnish important information on tumour response to radiotherapy just a few hours after the application of a relatively low dose. Spectroscopy showed the radiation-sensitive tumour cells to behave relatively uniformly after radiotherapy suggesting this behaviour to be interpreted as therapeutical effectiveness. (orig./SHA) [de

  4. 3D Reconstruction of NMR Images

    Directory of Open Access Journals (Sweden)

    Peter Izak

    2007-01-01

    Full Text Available This paper introduces experiment of 3D reconstruction NMR images scanned from magnetic resonance device. There are described methods which can be used for 3D reconstruction magnetic resonance images in biomedical application. The main idea is based on marching cubes algorithm. For this task was chosen sophistication method by program Vision Assistant, which is a part of program LabVIEW.

  5. Characterization of functional polymers by NMR

    International Nuclear Information System (INIS)

    Neto, Oscar H.S. A.S.; San Gil, Rosane A.S.; Nakayama, T.; Costa Neto, Claudio

    1993-01-01

    Several synthetic polymers are used in the chemical analysis of complexes mixtures aiming to extract certain specific functional groups for further identification. This work describes the utilization of NMR in the characterization of one of the above mentioned compounds which will be used as reagent for the synthesis of another compound of the same type, which will be further used in the chemical analysis of alcohols and phenols. The methodology is described. The results are described and discussed

  6. NMR characteristics of rat mammary tumors

    International Nuclear Information System (INIS)

    Osbakken, M.; Kreider, J.; Taczanowsky, P.

    1984-01-01

    12 rats were injected intradermally with 13762A rat mammary adenocarcinoma (1 x 10/sup 6/ cells). 3 rats died before completion of the study and 2 rat had tumor regression; the first 3 were excluded from data analysis. NMR imaging with a 1.5K gauss resistive magnet at 2, 3, 4, and 5 weeks after injection demonstrated increasing tumor mass. Saturation recovery (SR), inversion recovery (IR), and spin echo (SE) pulse sequence images and T/sub 1/ calculation were done for tumor characterization. (Tumor size was too small to identify at 2 weeks.) 3 rats were sacrificed after the last 3 imaging periods for histological studies, done to distinguish solid tumor mass from necrosis. Planimetry of tumor areas showed that as tumors grew in size, the ratio of necrotic area to area of solid tumor increased (week 3 = .3 +- .11; week 4 = .45 +- .07; week 5 = .51 +- 05); simultaneous calculated T/sub 1/ values also increased (week 3 = .35 +- .15; week 4 = .45 +- .06; week 5 = .42 +- 03). Qualitative NMR image T/sub 1/ values also increased as evidenced by progression of SR and IR tumor image intensity from very bright compared to the rest of the body at week 3 to less intense than other structures at week 5. These findings indicate that change in T/sub 1/ may be secondary to the pathophysiological change in the tumor (the increasing in necrosis, associated with increased free water). Thus, the range of T/sub 1/ values obtained in tumors in this study (and in previous studies) may be due to change in tumor physiology and anatomy. Careful correlation of histological with NMR data may allow ultimate use of NMR relaxation characteristics for determination of the physiological state of tumors

  7. Development of a model to describe organic films on aerosol particles and cloud droplets. Final report; Entwicklung eines Modells zur Beschreibung organischer Filme auf Aerosolteilchen und Wolkentropfen. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Forkel, R. (ed.); Seidl, W.

    2000-12-01

    Organic substances with polar groups are enriched on water surfaces and can form monomolecular surface films which can reduce the surface tension. A new model to describe surface films is presented, which describes in detail the film forming properties of fatty acids with up to 22 carbon atoms. The model is applied to measured concentrations of fatty acids (from the literature) in rain water and on aerosol particles and cloud droplets. An investigation of the sources of fatty acids has shown, that abrasion of the wax layer on leaves and needles is the main sources for surface film material in the western USA. Anthropogenic sources in urban areas are meat preparation and cigarette smoke. The agreement between model results and measurements when the model was applied to rain water confirms the original assumption that fatty acids are a main compound of surface films in rain water. For humid aerosol particles the application of the model on measured concentrations of fatty acids only showed strongly diluted films. Only for remote forest areas in western USA concentrated films were found, with the surface tension reduced by 20 to 30%. On cloud droplets the surface films is still more diluted than on aerosol particles. For all investigated cases the films was too much diluted to have an effect on the activation process of cloud droplets. (orig.) [German] Organische Substanzen mit polaren Gruppen reichern sich an der Wasseroberflaeche an und koennen monomolekulare Oberflaechenfilme bilden, die zu einer Verringerung der Oberflaechenspannung fuehren. Es wird ein neues Modell zur Beschreibung eines Oberflaechenfilms beschrieben, das detailliert die filmbildenden Eigenschaften der Fettsaeuren mit bis zu 22 Kohlenstoffatomen erfasst. Dieses Modell ist auf gemessene Konzentrationen von Fettsaeuren (Literaturdaten) in Regenwasser und auf atmosphaerischen Aerosolteilchen und Wolkentropfen angewandt worden. Eine Betrachtung der Quellen der Fettsaeuren zeigte, dass der Abrieb der

  8. Positive Effekte eines Kuraufenthaltes auf menopausale Beschwerden // Positive Effects of Health Cure on Menopausal Complaints

    Directory of Open Access Journals (Sweden)

    Foisner W

    2016-01-01

    Full Text Available 100 patients in menopause were recruited in an open duo-centre study during a health cure for musculoskeletal system to investigate if health cure is able to achieve additive effects on menopausal afflictions. Patients were differentiated in pre-, periand postmenopausal stadium due to their hormonal state (TSH, estradiol, LH, FSH. Survey dates were admission, discharge, 3, 6, 9, 12 months. MRS (Menopause Rating Scale and HADS-D (Hospital Anxiety and Depression Scale – German version were used as main outcome parameters.brThe analysis revealed that beside the total score also the subscale of both questionnaires improved during the cure. This “success of cure” lasted over a period of 6 months. Afterwards the values approached to the initial situation. Indeed all subscales stayed beyond baseline during the whole study.brThe results of the present investigation may be concluded as a temporary improvement of discomforts, life quality and psyche of peri- and postmenopausal women due to inpatient health cure. p bKurzfassung/b: Während eines Kurheilverfahrens zu Beschwerden des Stütz- und Bewegungsapparates wurden in einer offenen Duo-Center-Studie 100 Patientinnen in der Menopause rekrutiert, um zu untersuchen, ob der Kuraufenthalt additive Effekte auf menopausale Beschwerden besitzt. Anhand eines Hormonstatus (TSH, Estradiol, LH, FSH wurden die Patientinnen in die Menopause-Stadien prä-, peri- und postmenopausal eingeteilt. Erhebungszeitpunkte: Aufnahme, Entlassung, 3, 6, 9 und 12 Monate. Die „Menopause Rating Scale“ (MRS und die „Hospital Anxiety and Depression Scale – deutsche Version“ (HADS-D wurden als Haupt-Outcomeparameter herangezogen.brDie Auswertung ergab, dass sich neben dem Gesamtscore auch die Teilskalen der beiden Fragebögen während des Kuraufenthaltes verbesserten. Dieser „Kurerfolg“ hielt über einen Zeitraum von 6 Monaten an, danach näherten sich die Werte wieder der Ausgangssituation. Alle Teilscores blieben über dem

  9. Dauerhafter Zugriff auf digitale Publikationen – das DFG-Projekt NatHosting

    Directory of Open Access Journals (Sweden)

    Hildegard Schäffler

    2015-12-01

    Full Text Available Das Arbeiten mit digitalen Veröffentlichungen und Daten in Forschung, Lehre und Studium erfordert eine kontinuierliche und möglichst störungsfreie Verfügbarkeit dieser Inhalte. Bei Publikationen, die von wissenschaftlichen Fachverlagen lizenzpflichtig vertrieben werden, können verschiedene Typen von Störungsfällen wie temporäre oder längerfristige Ausfälle von Verlagsservern, der Transfer von Zeitschriftentiteln zu anderen Verlagen, das komplette Ausscheiden von Verlagen aus dem Markt oder die Abbestellung der elektronischen Ressourcen durch die lizenznehmende Einrichtung zu Zugriffsunterbrechungen führen. Das DFG-Projekt „Nationales Hosting elektronischer Ressourcen“ (NatHosting untersucht, wie unter Berücksichtigung bereits existierender Lösungsansätze eine nationale Strategie zur Absicherung des dauerhaften Zugriffs auf digitale Publikationen entwickelt werden kann. Das vom Projekt erarbeitete Lösungskonzept umfasst eine zweigleisige Strategie der Teilnahme eines nationalen Konsortiums bei Portico bei gleichzeitigem Aufbau eines „Private LOCKSS Networks“ für die durch Portico nicht abgedeckten Inhalte. Weitere Komponenten sind der Aufbau eines rechnergestützten Rechtemanagements und die Einrichtung einer „Hosting-Agentur“ mit Koordinationsaufgaben für das nationale Hosting. In order to work with digital publications and data in a reliable and sustainable way, researchers need to be sure that access to and immediate availability of the content is provided continuously and free of faults. An interruption of access to licensed content can occur for various reasons such as temporary or long-term breakdown of publishers’ servers, the transfer of journals to another publisher, the withdrawal of publishers from the market or the termination of electronic resource subscriptions by the licensee. Against the background of existing solutions, the project NatHosting (National Hosting of Electronic Resources aims at

  10. 43Ca NMR in solid state

    Science.gov (United States)

    Bellot, P.-V.; Trokiner, A.; Zhdanov, Yu.; Yakubovskii, A.

    1998-02-01

    In this paper we show that 43Ca is a suitable NMR probe to study the properties of high-Tc superconducting oxides. In the normal state, we report the temperature and doping dependencies of the spin susceptibility measured by 43Ca NMR. In the superconducting state and more exactly in the mixed state, by analysing 43Ca NMR linewidth, we have studied the magnetic induction distribution due to the presence of vortices and deduced λ, the penetration depth. Dans cet article, on montre que l'isotope 43 du calcium est une bonne sonde RMN pour l'étude des propriétés des oxydes supraconducteurs à haute température. Dans l'état normal, par la détermination du déplacement de la raie, en fonction de la température, on accède à la variation thermique de la susceptibilité de spin. Dans l'état supraconducteur et plus particulièrement dans l'état mixte, la largeur de raie RMN permet d'étudier la distribution d'induction magnétique due à la présence des vortex et de déterminer λ, la longueur de pénétration.

  11. Automatic maximum entropy spectral reconstruction in NMR

    International Nuclear Information System (INIS)

    Mobli, Mehdi; Maciejewski, Mark W.; Gryk, Michael R.; Hoch, Jeffrey C.

    2007-01-01

    Developments in superconducting magnets, cryogenic probes, isotope labeling strategies, and sophisticated pulse sequences together have enabled the application, in principle, of high-resolution NMR spectroscopy to biomolecular systems approaching 1 megadalton. In practice, however, conventional approaches to NMR that utilize the fast Fourier transform, which require data collected at uniform time intervals, result in prohibitively lengthy data collection times in order to achieve the full resolution afforded by high field magnets. A variety of approaches that involve nonuniform sampling have been proposed, each utilizing a non-Fourier method of spectrum analysis. A very general non-Fourier method that is capable of utilizing data collected using any of the proposed nonuniform sampling strategies is maximum entropy reconstruction. A limiting factor in the adoption of maximum entropy reconstruction in NMR has been the need to specify non-intuitive parameters. Here we describe a fully automated system for maximum entropy reconstruction that requires no user-specified parameters. A web-accessible script generator provides the user interface to the system

  12. Phosphorus NMR of isolated perfused morris hepatomas

    International Nuclear Information System (INIS)

    Graham, R.A.; Meyer, R.A.; Brown, T.R.; Sauer, L.A.

    1986-01-01

    The authors are developing techniques for the study of perfused solid tumors by NMR. Tissue-isolated solid hepatomas were grown to 1-2 cm diameter as described previously. The arterial supply was isolated and the tumors perfused (0.5 - 1.0 ml/min) in vitro at 25 C with a 15% suspension of red blood cells in Krebs-Henseliet solution. 31 P-NMR spectra were acquired at 162 MHz in a specially-designed NMR probe using a solenoidal coil. Intracellular pH (monitored from the chemical shift of inorganic phosphate) and ATP levels were stable for up to 6 hrs during perfusion. During 30 min of global ischemia, ATP decreased by 75% and pH fell from 7.0 to 6.7. These changes were reversed by 1 hr reperfusion. In addition to ATP and phosphate, the spectra included a large resonance due to phosphomonoesters, as well as peaks consistent with glycerylphosphocholine, glyceryl-phosphoethanolamine, phosphocreatine, NAD, and UDPG. However, the most novel feature of the spectra was the presence of an unidentified peak in the phosphonate region (+ 16.9 ppm). The peak was not present in spectra of muscle, liver, brain, kidney, or fat tissues excised from the same animals. They are presently attempting to identify the compound that gives rise to this peak and to establish its metabolic origin

  13. Solid state NMR study of cumbaru flour

    International Nuclear Information System (INIS)

    Nogueira, Jose S.; Bathista, Andre L.B.S.; Silva, Emerson O.; Priante Filho, Nicolau; Tavares, Maria I.B.

    2001-01-01

    The polysaccharide obtained by seed of Dipteryx alata Vog, has been characterised by 13 C solid state, using the basic routine techniques, like MAS and CPMAS and by the proton spin-lattice relaxation time in the rotating frame parameter (T 1 H ρ). Knowing that the chemical structure and molecular dynamic are extremely necessary route to obtain information on the polysaccharides, this work contributes to the classification of the seed containing in the cumbaru fruit to get response on its application. To obtain the initial responses for our purposes some solid state NMR techniques were chosen. The CPMAS 13 C NMR spectrum of the polysaccharide was investigated to know if it has some crystallinity. The MAS 13 C NMR spectrum showed the presence of domains with distinct molecular mobility, because these domains will differ basically in the distribution size and chain packing. The variable contact time experiment was used to analyse the distribution form of 13 C decays, which give us more information about sample heterogeneity. The T 1 H ρHr values were obtained from the variable contact time and by delayed contact time experiment, because these parameter indicate the order of polysaccharides. From the values of this parameter, we found that this polysaccharide is completely non-ordered. (author)

  14. NMR measurement of bitumen at different temperatures.

    Science.gov (United States)

    Yang, Zheng; Hirasaki, George J

    2008-06-01

    Heavy oil (bitumen) is characterized by its high viscosity and density, which is a major obstacle to both well logging and recovery. Due to the lost information of T2 relaxation time shorter than echo spacing (TE) and interference of water signal, estimation of heavy oil properties from NMR T2 measurements is usually problematic. In this work, a new method has been developed to overcome the echo spacing restriction of NMR spectrometer during the application to heavy oil (bitumen). A FID measurement supplemented the start of CPMG. Constrained by its initial magnetization (M0) estimated from the FID and assuming log normal distribution for bitumen, the corrected T2 relaxation time of bitumen sample can be obtained from the interpretation of CPMG data. This new method successfully overcomes the TE restriction of the NMR spectrometer and is nearly independent on the TE applied in the measurement. This method was applied to the measurement at elevated temperatures (8-90 degrees C). Due to the significant signal-loss within the dead time of FID, the directly extrapolated M0 of bitumen at relatively lower temperatures (viscosity, the extrapolated M0 of bitumen at over 60 degrees C can be reasonably assumed to be the real value. In this manner, based on the extrapolation at higher temperatures (> or = 60 degrees C), the M0 value of bitumen at lower temperatures (index (HI), fluid content and viscosity were evaluated by using corrected T2.

  15. Rhodopsin-lipid interactions studied by NMR.

    Science.gov (United States)

    Soubias, Olivier; Gawrisch, Klaus

    2013-01-01

    The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. Copyright © 2013 Elsevier Inc. All rights reserved.

  16. Principles of high resolution NMR in solids

    CERN Document Server

    Mehring, Michael

    1983-01-01

    The field of Nuclear Magnetic Resonance (NMR) has developed at a fascinating pace during the last decade. It always has been an extremely valuable tool to the organic chemist by supplying molecular "finger print" spectra at the atomic level. Unfortunately the high resolution achievable in liquid solutions could not be obtained in solids and physicists and physical chemists had to live with unresolved lines open to a wealth of curve fitting procedures and a vast amount of speculations. High resolution NMR in solids seemed to be a paradoxon. Broad structure­ less lines are usually encountered when dealing with NMR in solids. Only with the recent advent of mUltiple pulse, magic angle, cross-polarization, two-dimen­ sional and multiple-quantum spectroscopy and other techniques during the last decade it became possible to resolve finer details of nuclear spin interactions in solids. I have felt that graduate students, researchers and others beginning to get involved with these techniques needed a book which trea...

  17. Nuclear magnetic resonance apparatus having semitoroidal RF coil for use in topical NMR and NMR imaging

    International Nuclear Information System (INIS)

    Fukushima, E.; Assink, R.A.; Roeder, S.B.W.; Gibson, A.A.V.

    1984-01-01

    An improved nuclear magnetic resonance (NMR) apparatus for use in topical magnetic resonance (TMR) spectroscopy and other remote sensing NMR applications includes a semitoroidal radio frequency (rf) coil. The semitoroidal rf coil produces an effective alternating magnetic field at a distance from the poles of the coil, to enable NMR measurements to be taken from selected regions inside an object, particularly human and other living subjects. The semitoroidal rf coil is relatively insensitive to magnetic interference from metallic objects located behind the coil, thereby rendering the coil particularly suited for use in both conventional and superconducting NMR magnets. The semitoroidal NMR coil can be constructed so that it emits little or no excess rf electric field associated with the rf magnetic field, thus avoiding adverse effects due to dielectric heating of the sample or to any other electric field interactions. The coil may be combined with a like orthogonal coil and suitably driven to provide a circularly polarised field; or it may be used in conjunction with a concentrically nested smaller semitoroidal coil to move the maximum field further from the coil assembly. (author)

  18. CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Simon P.; Fogh, Rasmus H. [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom); Boucher, Wayne [University of Cambridge, Department of Biochemistry (United Kingdom); Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W., E-mail: gv29@le.ac.uk [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom)

    2016-10-15

    NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

  19. CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

    International Nuclear Information System (INIS)

    Skinner, Simon P.; Fogh, Rasmus H.; Boucher, Wayne; Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W.

    2016-01-01

    NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

  20. Guiding automated NMR structure determination using a global optimization metric, the NMR DP score

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yuanpeng Janet, E-mail: yphuang@cabm.rutgers.edu; Mao, Binchen; Xu, Fei; Montelione, Gaetano T., E-mail: gtm@rutgers.edu [Rutgers, The State University of New Jersey, Department of Molecular Biology and Biochemistry, Center for Advanced Biotechnology and Medicine, and Northeast Structural Genomics Consortium (United States)

    2015-08-15

    ASDP is an automated NMR NOE assignment program. It uses a distinct bottom-up topology-constrained network anchoring approach for NOE interpretation, with 2D, 3D and/or 4D NOESY peak lists and resonance assignments as input, and generates unambiguous NOE constraints for iterative structure calculations. ASDP is designed to function interactively with various structure determination programs that use distance restraints to generate molecular models. In the CASD–NMR project, ASDP was tested and further developed using blinded NMR data, including resonance assignments, either raw or manually-curated (refined) NOESY peak list data, and in some cases {sup 15}N–{sup 1}H residual dipolar coupling data. In these blinded tests, in which the reference structure was not available until after structures were generated, the fully-automated ASDP program performed very well on all targets using both the raw and refined NOESY peak list data. Improvements of ASDP relative to its predecessor program for automated NOESY peak assignments, AutoStructure, were driven by challenges provided by these CASD–NMR data. These algorithmic improvements include (1) using a global metric of structural accuracy, the discriminating power score, for guiding model selection during the iterative NOE interpretation process, and (2) identifying incorrect NOESY cross peak assignments caused by errors in the NMR resonance assignment list. These improvements provide a more robust automated NOESY analysis program, ASDP, with the unique capability of being utilized with alternative structure generation and refinement programs including CYANA, CNS, and/or Rosetta.

  1. Altitude dependence of trace substance deposition from clouds to forests. Final report; Hoehenabhaengigkeit der Spurenstoffdeposition durch Wolken auf Waelder. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Pahl, S.; Winkler, P.

    1995-12-31

    Novel forest decline is particularly pronounced in the area of the ridges of medium-range mountains. Whereas acid precipitation was viewed as its sole cause early on in the discussions, it turned out later that the impact of trace gases, too, contributes to the damaging of forests. This report wants to point out the importance of fog interception, which equally plays a part in the pollutant receipts of forests. The deposition of fog water to a forest stand depends very much on altitude, so that trace substance deposition, too, is to be expected to be dependent on altitude. By attempting to quantify this effect, the report helps to pinpoint areas of relevance of this deposition pathway (orig./KW) [Deutsch] Die neuartigen Waldschaeden sind in den Kammlagen der Mittelgebirge besonders ausgepraegt. Waehrend in der anfaenglichen Diskussion die sauren Niederschlaege als alleinige Ursache angesehen wurden, zeigte sich spaeter, dass auch Einwirkungen von Spurengasen zur Schaedigung des Waldes beitragen. Dieser Bericht soll auf die Bedeutung der Nebelinterzeption aufmerksam machen, die ebenfalls zum Schadstoffeintrag in den Wald beitraegt. Die Deposition von Wolkenwasser auf einen Waldbestand ist stark abhaengig von der Hoehenlage, in der sich der Waldbestand befindet, so dass auch eine Hoehenabhaengigkeit des Spurenstoffeintrages zu erwarten ist. Durch den Versuch der Quantifizierung traegt dieser Bericht dazu bei, Gebiete zu erkennen, in denen dieser Eintragspfad eine Rolle spielt. (orig./KW)

  2. Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem; Brüschweiler, Rafael

    2017-02-01

    Metabolomics continues to make rapid progress through the development of new and better methods and their applications to gain insight into the metabolism of a wide range of different biological systems from a systems biology perspective. Customization of NMR databases and search tools allows the faster and more accurate identification of known metabolites, whereas the identification of unknowns, without a need for extensive purification, requires new strategies to integrate NMR with mass spectrometry, cheminformatics, and computational methods. For some applications, the use of covalent and non-covalent attachments in the form of labeled tags or nanoparticles can significantly reduce the complexity of these tasks.

  3. Direct Comparison of 19F qNMR and 1H qNMR by Characterizing Atorvastatin Calcium Content

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2016-01-01

    Full Text Available Quantitative nuclear magnetic resonance (qNMR is a powerful tool in measuring drug content because of its high speed, sensitivity, and precision. Most of the reports were based on proton qNMR (1H qNMR and only a few fluorine qNMR (19F qNMR were reported. No research has been conducted to directly compare the advantage and disadvantage between these two methods. In the present study, both 19F and 1H qNMR were performed to characterize the content of atorvastatin calcium with the same internal standard. Linearity, precision, and results from two methods were compared. Results showed that 19F qNMR has similar precision and sensitivity to 1H qNMR. Both methods generate similar results compared to mass balance method. Major advantage from 19F qNMR is that the analyte signal is with less or no interference from impurities. 19F qNMR is an excellent approach to quantify fluorine-containing analytes.

  4. Isotope labeling for NMR studies of macromolecular structure and interactions

    International Nuclear Information System (INIS)

    Wright, P.E.

    1994-01-01

    Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform 13 C, 15 N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific 13 C and 15 N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions

  5. 13C-NMR assignment, structure, and dynamics of deoxyoligonucleotides

    International Nuclear Information System (INIS)

    Zanatta, N.; Borer, P.N.; Levy, G.C.

    1986-01-01

    The unique spectral properties of 13 C-NMR for studying nucleic acids and some of the important features of 13 C-NMR in oligonucleotide studies are demostrated. The main difficulty in studying oligonucleotides by 13 C-NMR and recent improvements in NMR instrumentation and advances in oligonucleotide synthesis are presented. The high resolution 13 C-NMR spectra, T 1 relaxation times and NOEs were measured for duplex of the self-complementary oligo-DNAs: d(CG) 3 and d(GGTATACC) are studied. The target of this study is to developed a systematic 13 C-NMR spectral assignment and to investigate the structure and dynamics of these two sequences by this techniques. (M.J.C.) [pt

  6. A primer to nutritional metabolomics by NMR spectroscopy and chemometrics

    DEFF Research Database (Denmark)

    Savorani, Francesco; Rasmussen, Morten Arendt; Mikkelsen, Mette Skau

    2013-01-01

    This paper outlines the advantages and disadvantages of using high throughput NMR metabolomics for nutritional studies with emphasis on the workflow and data analytical methods for generation of new knowledge. The paper describes one-by-one the major research activities in the interdisciplinary...... metabolomics platform and highlights the opportunities that NMR spectra can provide in future nutrition studies. Three areas are emphasized: (1) NMR as an unbiased and non-destructive platform for providing an overview of the metabolome under investigation, (2) NMR for providing versatile information and data...... structures for multivariate pattern recognition methods and (3) NMR for providing a unique fingerprint of the lipoprotein status of the subject. For the first time in history, by combining NMR spectroscopy and chemometrics we are able to perform inductive nutritional research as a complement to the deductive...

  7. Isotope labeling for NMR studies of macromolecular structure and interactions

    Energy Technology Data Exchange (ETDEWEB)

    Wright, P.E. [Scripps Research Institute, La Jolla, CA (United States)

    1994-12-01

    Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform {sup 13}C, {sup 15}N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific {sup 13}C and {sup 15}N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions.

  8. NMR examinations of the facial skeleton. Pt. 1

    International Nuclear Information System (INIS)

    Grodd, W.; Lenz, M.; Baumann, R.; Schroth, G.

    1984-01-01

    The resolution of NMR and CT was compared using axial sections of the normal anatomic structures of the facial skeleton. Is was shown that NMR was superior in differentiating muscles, tonsils, mucosa, lymph nodes and blood vessels. The demonstration of bone and its differentiation from air-containing spaces is often difficult. Metallic, non-ferromagnetic dental fillings, which cause serious artefacts on CT, do not after NMR. (orig.) [de

  9. NMR as a probe metabolic disorders in disease and treatment

    Energy Technology Data Exchange (ETDEWEB)

    Yushmanov, Victor E [Russian Academy of Sciences, Moscow (Russian Federation). Inst. of Chemical Physics

    1994-12-31

    The effects of malignant tumors, chemical and physical factors (toxic agents, ionizing radiation) as well as of their treatment on tissue metabolism were studied by NMR imaging. The importance of NMR is highlighted since it enables to a better understanding of molecular mechanisms of diseases and therapeutic interventions, in addition to the analysis of metabolic disorders in human beings. Combined with the studies of experimental animal pathologies, may constitute a base for new types of NMR-diagnosis in vivo 10 refs.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. CargoMover - the driverless 'truck on rails'; CargoMover - der fahrerlose 'Lkw auf Schienen'

    Energy Technology Data Exchange (ETDEWEB)

    Mairhofer, F. [Siemens AG, Erlangen (Germany). Transportation Systems, Cargo Logistics; Janssen, G. [DB Netz AG, NL West, Duisburg (Germany)

    2003-07-01

    Year after year, more and more freight is transported in Europe. Most of it is transported by road, because users currently see the truck as the fastest, most flexible and most economic solution. But road haulage is already leading to a lot of congestion, so that is it becoming more and more important to shift traffic onto the railways. The high-availability CargoMover {sup registered} system complements existing rail freight transport services. It combines the strategic advantages of truck and rail transport and offers flexible driverless rail freight transport to individual destinations - including at regional and local level, and for short-term requirements or small loads. (orig.) [German] Jahr fuer Jahr werden in Europa mehr Gueter bewegt. Der Grossteil dieser Transporte erfolgt auf der Strasse, weil der LKW von vielen Nutzern momentan als die schnellste, flexibelste und wirtschaftlichste Loesung angesehen wird. Schon heute fuehrt der Lkw-Verkehr aber zu vielen Staus, so dass es immer wichtiger wird, mehr Transportvolumen auf die Schiene zu bringen. Der CargoMover {sup registered} komplettiert als hochverfuegbares System das Gueterverkehrsangebot auf der Schiene. Er verbindet die strategischen Vorteile des Lkw mit denen des Bahnsystems und ermoeglicht fahrerlosen, zielreinen und flexiblen Gueterverkehr auf der Schiene - auch im Regional- und Nahverkehr, bei kurzfristigem Bedarf oder kleineren Losgroessen. (orig.)

  12. Βιβλιοκρισία του: ANDREAS RHOBY, Byzantinische Epigramme auf Fresken und Mosaiken, Wien 2009

    Directory of Open Access Journals (Sweden)

    Apostolos KARPOZILOS

    2010-11-01

    Full Text Available Βιβλιοκρισία:Α. Rhoby, Byzantinische Epigramme auf Fresken und Mosaiken [Byzantinische Epigramme in inschriftlicher Ueberlieferung 1], Oesterreichische Akademie der Wissenschaften, Denkschriften der phil. -hist. Klasse, 374.Bd. Veroffentlichungen zur Byzanzforschung 15, Wien 2009 (ISBN 978-3-7001-6106-6 

  13. Blockchain - Von Supply Chain Finance über Smart Payment bis Smart Contracting: BLOG-Beitrag auf https://www.de-hub.de

    OpenAIRE

    Henke, Michael

    2018-01-01

    Alle reden über die Blockchain. Das Thema wird engagiert bis overhyped diskutiert. Gleichzeitig jedoch werden der mächtige Einfluss und die künftigen Auswirkungen von Blockchains auf Supply Chain Management und Handel immer noch unterschätzt.

  14. Effects of noxious environmental particulate matter on the immune response of monocyte cells; Wirkung von partikulaeren Umweltnoxen auf die Immunabwehr monozytaerer Zellen

    Energy Technology Data Exchange (ETDEWEB)

    Hofer, T.

    2000-07-01

    The effects of ultrafine particles on the immune response of alveolar macrophages of mice was investigated. The findings are presented and discussed in this report. [German] In der vorliegenden Arbeit wurde die Wirkung ultrafeiner Partikel auf die Immunabwehr an Alveolarmakrophagen der Maus untersucht. Die Ergebnisse werden dargestellt und diskutiert. (orig/MG)

  15. Bio-Lebensmittel in der öffentlichen Gemeinschaftsverpflegung - Eine Studie auf dem dänischen Markt und in den entsprechenden Aufsichtsbehörden

    DEFF Research Database (Denmark)

    Nielsen, Thorkild; Kristensen, Niels Heine; Mikkelsen, Bent Egberg

    2003-01-01

    Nielsen T, Kristensen NH, Mikkelsen BE (2003): Bio-Lebensmittel in der öffentlichen Gemeinschaftsverpflegung - Eine Studie auf dem dänischen Markt und in den entsprechenden Aufsichtsbehörden. Proceedings from "Ökologischer Landbau der Zukunft - Die 7. Wissenschaftstagung zum Ökologischen Landbau...

  16. Speech recognition: impact on workflow and report availability; Spracherkennung: Auswirkung auf Workflow und Befundverfuegbarkeit

    Energy Technology Data Exchange (ETDEWEB)

    Glaser, C.; Trumm, C.; Nissen-Meyer, S.; Francke, M.; Kuettner, B.; Reiser, M. [Klinikum Grosshadern der Ludwig-Maximilians-Universitaet Muenchen (Germany). Institut fuer Klinische Radiologie

    2005-08-01

    Hauptkomponenten eines SES sind das akustische und das Sprachmodell. Merkmale kontinuierlicher SES mit Realtimeerkennung umfassen vorformulierbare Befund(bloeck)e, Standardbefundvorlagen und Sprachkommandos (Navigation im Text, Steuerung von SES und RIS). Sinnvoll fuer eine optimale Nutzung des SES-Potenzials ist die Integration von SES, RIS und PACS. Wichtige Leistungsparameter eines SES sind Befundverfuegbarkeit und Zeiteffizienz des Befundungsprozesses (Erkennungsrate, Editier- und Korrekturaufwand, Wortschatzpflege) fuer den Radiologen. In der Praxis wird die Erkennungsrate ueber die Fehlerrate (Einheit ''Wort'') abgeschaetzt. Fehlerraten liegen zwischen 4 und 28%. Etwa 20% davon sind Wortschatzfehler, die u. U. zu einer falschen Befundinterpretation fuehren koennen. Sie unterstreichen die Notwendigkeit einer sorgfaeltigen Textkorrektur und Wortschatzpflege. Die Einfuehrung eines SES erbringt eine drastische Verbesserung der Befundverfuegbarkeit. Dagegen nimmt der individuelle aerztliche Zeitbedarf bei digitaler Befunderstellung um ca. 20-25% (Projektionsradiographie, CR) bzw. ca. 30% (CT, MRT) zu. Die Entlastung des Schreibbueros (Hintergrunddiktat) haengt von dessen Qualifikation ab. Das Onlinediktat fuehrt zu einer Umverteilung von Arbeitsschritten vom Schreibbuero auf den Befunder. (orig.)

  17. Resonator quantum electrodynamics on a microtrap chip; Resonator-Quantenelektrodynamik auf einem Mikrofallenchip

    Energy Technology Data Exchange (ETDEWEB)

    Steinmetz, Tilo

    2008-04-29

    In the present dissertation experiments on resonator quantum electrodynamics on a microtrap chip are described. Thereby for the first time single atoms catched in a chip trap could be detected. For this in the framework of this thesis a novel optical microresonator was developed, which can because of its miniaturization be combined with the microtrap technique introduced in our working group for the manipulation of ultracold atoms. For this resonator glass-fiber ends are used as mirror substrates, between which a standing light wave is formed. With such a fiber Fabry-Perot resonator we obtain a finess of up to {approx}37,000. Because of the small mode volumina in spite of moderate resonator quality the coherent interaction between an atom and a photon can be made so large that the regime of the strong atom-resonator coupling is reached. For the one-atom-one-photon coupling rate and the one-atom-one-photon cooperativity thereby record values of g{sub 0}=2{pi}.300 MHz respectively C{sub 0}=210 are reached. Just so for the first time the strong coupling regime between a Bose-Einstein condensate (BEC) and the field of a high-quality resonator could be reached. The BEC was thereby by means of the magnetic microtrap potentials deterministically brought to a position within the resonator and totally transformed in a well defined antinode of an additionally optical standing-wave trap. The spectrum of the coupled atom-resonator system was measured for different atomic numbers and atom-resonator detunings, whereby a collective vacuum Rabi splitting of more than 20 GHz could be reached. [German] In der vorliegenden Dissertation werden Experimente zur Resonator-Quantenelektrodynamik auf einem Mikrofallenchip beschrieben. Dabei konnte u. a. erstmals einzelne, in einer Chipfalle gefangene Atome detektiert werden. Hier fuer wurde im Rahmen dieser Arbeit ein neuartiger optischer Mikroresonator entwickelt, der sich dank seiner Miniaturisierung mit der in unserer Arbeitsgruppe

  18. NMR-Fragment Based Virtual Screening: A Brief Overview.

    Science.gov (United States)

    Singh, Meenakshi; Tam, Benjamin; Akabayov, Barak

    2018-01-25

    Fragment-based drug discovery (FBDD) using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD.

  19. Optimization and practical implementation of ultrafast 2D NMR experiments

    Energy Technology Data Exchange (ETDEWEB)

    Queiroz Junior, Luiz H. K., E-mail: professorkeng@gmail.com [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Inst. de Quimica; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Giraudeau, Patrick [Universite de Nantes (France). CNRS, Chimie et Interdisciplinarite: Synthese, Analyse, Modelisation

    2013-09-01

    Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively. (author)

  20. Straightforward and complete deposition of NMR data to the PDBe

    International Nuclear Information System (INIS)

    Penkett, Christopher J.; Ginkel, Glen van; Velankar, Sameer; Swaminathan, Jawahar; Ulrich, Eldon L.; Mading, Steve; Stevens, Tim J.; Fogh, Rasmus H.; Gutmanas, Aleksandras; Kleywegt, Gerard J.; Henrick, Kim; Vranken, Wim F.

    2010-01-01

    We present a suite of software for the complete and easy deposition of NMR data to the PDB and BMRB. This suite uses the CCPN framework and introduces a freely downloadable, graphical desktop application called CcpNmr Entry Completion Interface (ECI) for the secure editing of experimental information and associated datasets through the lifetime of an NMR project. CCPN projects can be created within the CcpNmr Analysis software or by importing existing NMR data files using the CcpNmr FormatConverter. After further data entry and checking with the ECI, the project can then be rapidly deposited to the PDBe using AutoDep, or exported as a complete deposition NMR-STAR file. In full CCPN projects created with ECI, it is straightforward to select chemical shift lists, restraint data sets, structural ensembles and all relevant associated experimental collection details, which all are or will become mandatory when depositing to the PDB. Instructions and download information for the ECI are available from the PDBe web site at http://www.ebi.ac.uk/pdbe/nmr/deposition/eci.htmlhttp://www.ebi.ac.uk/pdbe/nmr/deposition/eci.html.

  1. NMR-Fragment Based Virtual Screening: A Brief Overview

    Directory of Open Access Journals (Sweden)

    Meenakshi Singh

    2018-01-01

    Full Text Available Fragment-based drug discovery (FBDD using NMR has become a central approach over the last twenty years for development of small molecule inhibitors against biological macromolecules, to control a variety of cellular processes. Yet, several considerations should be taken into account for obtaining a therapeutically relevant agent. In this review, we aim to list the considerations that make NMR fragment screening a successful process for yielding potent inhibitors. Factors that may govern the competence of NMR in fragment based drug discovery are discussed, as well as later steps that involve optimization of hits obtained by NMR-FBDD.

  2. NMR characteristics of low-grade glioma. Comparison with CT

    Energy Technology Data Exchange (ETDEWEB)

    Asato, Reinin; Tokuriki, Yasuhiko; Nakano, Yoshihisa; Itoh, Harumi; Torizuka, Kanji; Ueda, Tohru; Yamashita, Junkoh; Handa, Hajime

    1985-08-01

    Sixteen low-grade gliomas were evaluated both with nuclear magnetic resonance (NMR) imaging and with computed tomography (CT). In 13 cases (81%), the NMR images were much better in tissue contrast than the contrast-enhanced CT images. The tumors were shown as well-circumscribed oval lesions in the NMR, though they appeared as ill-defined, irregular, low-attenuation areas in the CT. The extent of the lesion, which was supposed to represent the active tumor tissue, was greater in the NMR than in the CT, because NMR tissue parameters (T/sub 1/, T/sub 2/) are more sensitive to pathological changes in brain tissue than is the X-ray attenuation coefficient. Though, in an optic glioma and a brain-stem astrocytoma, the CT with contrast enhancement displayed the contour of the mass as well as did NMR, it was inferior to the NMR in showing the cephalocaudal extension of the tumors. Calcification does not give a proton NMR signal under the present measuring conditions; thus the calcified cystic wall of a hypothalamic astrocytoma was displayed only in the CT images. In conclusion, the NMR imaging was apparently superior to contrast-enhanced CT in demonstrating the lesions due to low-grade glioma.

  3. Influence on components of EU directives; Einfluss von EG-Richtlinien auf Komponenten. Einfluss der EG-Druckgeraeterichtlinie (97/23/EG) auf die Komponenten eines Kernkraftwerks vom Typ Konvoi

    Energy Technology Data Exchange (ETDEWEB)

    Kreckel, D. [Siemens AG, Bereich Energieerzeugung (KWU), Offenbach (Germany)

    1998-11-01

    Convoy-type nuclear power plant maintenance is subject to the specifications contained in the Technical Rules, as dated in the Annex, on the basis of the operating permits issued under Sec. 7 of the German Atomic Energy Act. The introduction of the Single European Market and the adoption of European directives in the field of equipment safety have influenced, and will continue to influence, the national legislative structure. Changes affecting convoy-type nuclear power plants can be found in the applicable laws and directives, such as the Atomic Energy Act, the Industrial Code, and in new regulations, such as the Equipment Safety Act with its associated ordinances, and the applicable engineered safeguards rules, such as KTA, AD, VdTUeV, VDI. Moreover, the generally recognized state of the art as laid down in DIN, SEL, SEW publications is subject to permanent European harmonization and, consequently, comprehensive national reorganization. These boundary conditions can be upheld only if the specifications about the advancing state of the art specified in the operating permits are put into effect painstakingly. The profile of requirements contained in these specifications must be aligned to the new situation in Germany (dominated by Europe) with the licensing authority and the competent expert consultant within the supervisory procedure for operation under the Atomic Energy Act. The situation described here for the modern convoy-type nuclear power plants must be extrapolated also to older nuclear power plants, albeit subject to a supplementary adaptation to the respective licensing situation. (orig.) [Deutsch] Fuer die Instanhaltung der Konvoi-Kernkraftwerke gelten die Spezifikationen mit dem in den Anhaengen datierten Stand der Technischen Regeln gemaess der auf Basis des AtG Paragraph 7 erteilten Betriebsgenehmigungen. Mit der Einfuehrung des Europaeischen Binnenmarktes und Verabschiedung Europaeischer Richtlinien auf dem Sektor der Geraetesicherheit wurde und wird

  4. NMR studies of spin dynamics in cuprates

    International Nuclear Information System (INIS)

    Takigawa, M.; Mitzi, D.B.

    1994-01-01

    The authors report recent NMR results in cuprates. The oxygen Knight shift and the Cu nuclear spin-lattice relaxation rate in Bi 2.1 Sr 1.94 Ca 0.88 Cu 2.07 O 8+σ single crystals revealed a gapless superconducting state, which can be most naturally explained by a d-wave pairing state and the intrinsic disorder in this material. The Cu nuclear spin-spin relaxation rate in underdoped YBa 2 Cu 3 O 6.63 shows distinct temperature dependence from the spin-lattice relaxation rate, providing direct evidence for a pseudo spin-gap near the antiferromagnetic wave vector

  5. NMR studies of spin dynamics in cuprates

    Science.gov (United States)

    Takigawa, M.; Mitzi, D. B.

    1994-04-01

    We report recent NMR results in cuprates. The oxygen Knight shift and the Cu nuclear spin-lattice relaxation rate in Bi2.1Sr1.94Ca0.88Cu2.07O8+δ single crystals revealed a gapless superconducting state, which can be most naturally explained by a d-wave pairing state and the intrinsic disorder in this material. The Cu nuclear spin-spin relaxation rate in underdoped YBa2Cu3O6.63 shows distinct temperature dependence from the spin-lattice relaxation rate, providing direct evidence for a pseudo spin-gap near the antiferromagnetic wave vector.

  6. NMR-tomography of the heart

    International Nuclear Information System (INIS)

    Weikl, A.; Bachmann, K.

    1987-01-01

    The NMR-tomography as a non-invasive imaging process is examined regarding to the value to answer clinical issues. This method allows an evaluation of qualitative, quantitative, morphological and functional parameters. The diagnostic use on the heart shows early myocardial changes, thrombosis, changes in the dynamics of the left ventricle (EDV, ESV, EF), the quantitative wall movement and the blood flow in a shunt defect. The placed value of echocardiography, myocardial scintigraphy and coronary angiography in the diagnosis of acquired valvular heart disease, myocardial perfusion and coronary heart disease is not lowered by the above mentioned method. (orig.) [de

  7. NMR-tomography of the heart

    Energy Technology Data Exchange (ETDEWEB)

    Weikl, A.; Bachmann, K.

    1987-04-03

    The NMR-tomography as a non-invasive imaging process is examined regarding to the value to answer clinical issues. This method allows an evaluation of qualitative, quantitative, morphological and functional parameters. The diagnostic use on the heart shows early myocardial changes, thrombosis, changes in the dynamics of the left ventricle (EDV, ESV, EF), the quantitative wall movement and the blood flow in a shunt defect. The placed value of echocardiography, myocardial scintigraphy and coronary angiography in the diagnosis of acquired valvular heart disease, myocardial perfusion and coronary heart disease is not lowered by the above mentioned method.

  8. Structural study of pyrones by NMR

    International Nuclear Information System (INIS)

    Mandarino, D.G.

    1985-01-01

    Extracts of two species of Aniba, designed Aniba-SA (light petroleum extract) and Aniba-SB (benzene extract), afforded by chromatographic fraccionation some compounds. The isolated compounds were identified using spectrometric data and C 13 -NMR coupled and decompled spectra of pyrones were registered. Measurement of the heteronuclear residual coupling by irradiation proton frequency off-resonance was used for distinguish C-5, C-7 and C-8 carbons of the pyrones SB-1, SB-3, SB-4 and SB-5. (M.J.C.) [pt

  9. Touch NMR: An NMR Data Processing Application for the iPad

    Science.gov (United States)

    Li, Qiyue; Chen, Zhiwei; Yan, Zhiping; Wang, Cheng; Chen, Zhong

    2014-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has become one of the most powerful technologies to aid research in numerous scientific disciplines. With the development of consumer electronics, mobile devices have played increasingly important roles in our daily life. However, there is currently no application available for mobile devices able to…

  10. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy.

    Science.gov (United States)

    Konuma, Tsuyoshi; Harada, Erisa; Sugase, Kenji

    2015-12-01

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

  11. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Konuma, Tsuyoshi [Icahn School of Medicine at Mount Sinai, Department of Structural and Chemical Biology (United States); Harada, Erisa [Suntory Foundation for Life Sciences, Bioorganic Research Institute (Japan); Sugase, Kenji, E-mail: sugase@sunbor.or.jp, E-mail: sugase@moleng.kyoto-u.ac.jp [Kyoto University, Department of Molecular Engineering, Graduate School of Engineering (Japan)

    2015-12-15

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

  12. Proton NMR studies on Megaphaera elsdenii flavodoxin : structure elucidation by 2D-NMR and implications

    NARCIS (Netherlands)

    Mierlo, van C.

    1990-01-01

    1H NMR techniques have been applied for a thorough study of the uncrystallizable Megasphaera elsdenii flavodoxin in its three redox states. The aim of the research project described in this thesis was to obtain answers regarding questions

  13. Crystallographic and dynamic aspects of solid-state NMR calibration compounds: towards ab initio NMR crystallography

    DEFF Research Database (Denmark)

    Li, Xiaozhou; Tapmeyer, Lukas; Bolte, Michael

    2016-01-01

    The excellent results of dispersion-corrected density functional theory (DFT-D) calculations for static systems have been well established over the past decade. The introduction of dynamics into DFT-D calculations is a target, especially for the field of molecular NMR crystallography. Four 13C ss...

  14. Bi-functional Au/FeS (Au/Co{sub 3}O{sub 4}) composite for in situ SERS monitoring and degradation of organic pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Shuzhen; Cai, Qian; Lu, Kailing; Liao, Fan, E-mail: fliao@suda.edu.cn; Shao, Mingwang, E-mail: mwshao@suda.edu.cn [Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University (China)

    2016-01-15

    The bi-functional Au/FeS (Au/Co{sub 3}O{sub 4}) composite was fabricated by in situ reducing Au nanoparticles onto the surface of FeS (Co{sub 3}O{sub 4}). The as-prepared FeS possessed a multi-structure composed of plenty of nanoplates, which were coated by Au nanoparticles with an average size of ∼47.5 nm. While the Co{sub 3}O{sub 4} showed a thin hexagonal sheet containing Au nanoparticles on its surface with an average size of ∼79.0 nm. Both the as-prepared Au/FeS and Au/Co{sub 3}O{sub 4} composites exhibited excellent SERS performance, capable of enhancing the Raman signals of R6G molecules with the enhancement factor up to 1.81 × 10{sup 6} and 7.60 × 10{sup 4}, respectively. Moreover, Au/FeS (Au/Co{sub 3}O{sub 4}) composite also has been verified to have intrinsic peroxidase-like activity, which could decompose H{sub 2}O{sub 2} into hydroxyl radicals and then degrade organic pollutants into small molecules. Therefore, SERS can be used to real-time and in situ monitoring the degradation process of R6G molecules, employing the Au/FeS (Au/Co{sub 3}O{sub 4}) composite both as SERS substrate and catalyst. Graphical abstract: SERS was used to real-time and in situ monitoring the degradation of R6G, employing the Au/FeS and Au/Co{sub 3}O{sub 4} composites both as SERS substrates and catalysts.

  15. Il «borghese gentiluomo» mette in scena il mito greco: «Ariadne auf Naxos»

    Directory of Open Access Journals (Sweden)

    Gabriella Rovagnati

    2016-12-01

    Full Text Available Ariadne auf Naxos (Arianna a Nasso combina una tragedia mitica con la commedia di Molière Le bourgeois gentilhomme attraverso la tecnica del “teatro nel teatro”. Questo studio illustra la difficile gestazione del libretto nelle sue due versioni (del 1912 e del 1916, un testo dalla doppia prospettiva che riprende a sua volta forme miste di teatro quali il masque e la comédie-ballet. Basandosi su alcune citazioni tratte da due dei nove volumi dei Diari del conte Harry Kessler, pubblicati rispettivamente nel 2005 e 2006, Rovagnati aggiunge diversi dettagli alle fonti già note dell’opera, come per esempio il balletto Les Lucioles di Claude Terasse.

  16. Workflows zur Bereitstellung von Zeitschriftenartikeln auf Open-Access-Repositorien - Herausforderungen und Lösungsansätze

    Directory of Open Access Journals (Sweden)

    Paul Vierkant

    2017-04-01

    werden zentrale Herausforderungen beschrieben und Lösungsansätze für die Zugänglichmachung von Open-Access-Zeitschriftenartikeln auf Repositorien zusammengestellt. Open access is provided for a growing number of journal articles from German research institutions. Free availability can be achieved in different ways, based on diverse business and financing models. But how can research organisations ensure that their gold open access publications are also made available in a permanent and standardized way in an open access repository? In order to achieve this, what should a model publication process look like? This paper addresses the main challenges and describes possible solutions for making open access articles available in repositories.

  17. Polycrystalline silicon film solar cells on insulator devices. Final report; Duennschichtsolarzellen aus kristallinem Silicium auf Glassubstraten. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Werner, J.H.; Wagner, T.A.; Bruehne, K.; Berge, C.; Dassow, R.; Jensen, N.; Koehler, J.; Nerding, M.; Oberbeck, L.; Rinke, T.J.; Bergmann, R.B.; Schubert, M.B.

    2002-07-01

    The goal of presenting a highly efficient thin film silicon solar cell was achieved by manufacturing a 4 cm{sup 2}, 45 {mu}m thin cell with an AM1.5 efficiency of 16.6% (confirmed by FhG-ISE, Freiburg, Germany). This result reflects the potential of a novel transfer technique for single-crystalline silicon thin films which uses an electrochemically etched separation layer. Since the year 2000, this method was investigated in this project, and it proved to be very promising for manufacturing high efficiency thin film silicon solar cells. The transfer technique is now subject of a project in continuation in order to verify the feasibility of its industrial application. Polycrystalline silicon with grain sizes in the range of (1-100) {mu}m suffers from grain boundaries crossing the pn-junction which enhance recombination, and thereby limit the output voltage of respective solar cells to very low, and practically useless values. For the first time, a complete analysis of these limitations is given. Hence, the initial approach of epitaxially growing solar cell absorbers on a laser-crystallised seed layer proved not successful. After proper optimisation, hot-wire chemical vapour deposition (HW-CVD) yields <110>-textured nanocrystalline silicon (nc-Si) films with stable and improved electronic properties. A successful use in stacked 'micromorph' solar cells, however, seems unlikely since the deposition rate of high-quality nc-Si from HW-CVD turns out to be as low as such as plasma deposited nc-Si. As further project results, there are spin-offs for microelectronics from ion-assisted deposition (IAD), for displays from laser crystallisation, and for photovoltaics in heterojunction solar cells. (orig.) [German] Das Projektziel wurde mit der Herstellung einer 45 {mu}m duennen, monokristallinen Siliciumsolarzelle auf Glas mit einem Wandlungswirkungsgrad von 16,6% (bestaetigt bei FhG-ISE, Freiburg) erreicht. Dieses Ergebnis war moeglich durch die Anwendung einer neu

  18. Long-term performance of ETICS on external walls of large-panel buildings; Dauerbestaendigkeit von WDVS auf Plattenbau - Fassaden

    Energy Technology Data Exchange (ETDEWEB)

    Reuschel, M. [Materialforschungs- und Pruefungsanstalt fuer Bauwesen Leipzig (Germany)

    1997-12-31

    Urgently required renovation work on external walls of large panel buildings makes novel demands on thermal insulation composites. In the quest for a practice-oriented test method, a pilot project was carried out. Separate parts of a completely renovated housefront were covered with different thermal insulation composites in a way permitting to carry out investigations for a period of several years. The test methods used and the installed thermal insulation composites are described. The results are pointed out. (MSK) [Deutsch] Die dringend erforderlichen Fassadeninstandsetzungen von Plattenbauten stellen an Waermedaemmverbundsysteme neue Anforderungen. Auf der Suche nach einer praxisgerechten Pruefmethode wurde ein Demopruefstand errichtet, der es ermoeglicht im Rahmen einer Komplettsanierung einen separaten Fassadenbereich mit unterschiedlichen Waermedaemmverbundsystemen so zu bekleiden, dass Untersuchungen ueber mehrere Jahre durchgefuehrt werden koennen. Im Folgenden werden die angewendeten Pruefmethoden und die installierten WDV-Systeme erlaeutert. Die einzelnen Ergebnisse werden aufgezeigt.

  19. Development of a low-temperature refrigerant on the basis of carbon dioxide; Entwicklung eines Tieftemperaturkaeltemittels auf Basis von Kohlendioxid

    Energy Technology Data Exchange (ETDEWEB)

    Goepfert, Tobias; Hesse, Ullrich [Technische Univ. Dresden (Germany). Bitzer-Stiftungsprofessur fuer Kaelte-, Kryo- und Kompressorentechnik

    2014-07-01

    With the help of known substance properties and derived calculation correlations the mixtures were identified on the basis of R744, which are suitable as a cryogenic refrigerant in the range -50 to -100 degrees Celsius. A prediction and assessment of the suitability of the mixtures is made and the still unknown material properties are shown, which are required for detailed evaluation. [German] Mit Hilfe von bekannten Stoffeigenschaften und abgeleiteten Berechnungskorrelationen wurden Gemische auf der Basis von R744 identifiziert, welche sich als Tieftemperaturkaeltemittel im Bereich von -50 bis -100 Grad Celsius eigenen. Es wird eine Prognose und Abschaetzung der Eignung der Stoffgemische vorgenommen und es werden die noch unbekannten Stoffeigenschaften dargestellt, die zur genauen Bewertung benoetigt werden.

  20. Influence of thyroid metabolism on radioiodine therapy in Graves` disease; Einfluss der Stoffwechsellage auf die Radioiodtherapie beim Morbus Basedow

    Energy Technology Data Exchange (ETDEWEB)

    Boerner, A.R. [Forschungszentrum Juelich (Germany). Inst. fuer Medizin; Weckesser, M.; Boy, C.; Schmidt, D.; Langen, K.J.; Mueller-Gaertner, H.W. [Duesseldorf Univ. (Germany). Nuklearmedizinische Klinik]|[Forschungszentrum Juelich (Germany). Inst. fuer Medizin

    1997-12-01

    Radioiodine therapy is one of two definitive methods of treatment in Graves` disease beside near-total thyreoidectomy. Simple strategies like optimization of thyroid metabolism help to improve efficacy in radioiodine therapy thus lowering applied radioiodine doses, radiation exposure to the patient and to the environment and avoiding multiple vain therapeutic efforts. These strategies are likely to reduce costs at the same time. (orig.) [Deutsch] Die Radioiodtherapie ist eine der beiden definitiven Therapiemethoden bei Morbus Basedow neben der nahezu totalen Thyreoidektomie. Ziel ist es, mit einfachen Methoden wie der optimalen Einstellung der Stoffwechsellage die Effizienz der Radioiodtherapie zu optimieren im Hinblick auf eine Reduktion der einzusetzenden Aktivitaet, der Gesamtstrahlenexposition fuer Patient und Umwelt und durch Vermeidung mehrfacher, vergeblicher therapeutischer Ansaetze. Diese Optimierung traegt auch zur Reduktion der Gesamtkrankheitskosten bei. (orig.)

  1. Investigation of the influence of airfoil geometry on its wake; Untersuchung zum Einfluss der Geometrie eines Fluegels auf seinen Nachlauf

    Energy Technology Data Exchange (ETDEWEB)

    Schell, I.

    2001-07-01

    Strong turbulent flow along the wings in the wake of starting or landing aircraft are a danger to the aircraft next in line and limit the starting and landing frequency. The degree of turbulence depends mostly on aircraft weight but the aerodynamic design clearly has an effect. The author investigated the influence of airfoil geometry, both experimentally and numerically. [German] Im Nachlauf von startenden und landenden Flugzeugen bilden sich starke Fluegelrandwirbel aus, die ein grosses Gefahrenpotential fuer nachfolgende Flugzeuge darstellen und somit die maximal moeglichen Start- bzw. Landefrequenzen an Flughaefen begrenzen. Die Staerke der Wirbel ist hauptsaechlich vom Gewicht der Flugzeuge abhaengig, jedoch hat auch die aerodynamische Auslegung der Flugzeuge einen deutlichen Einfluss. In der vorliegenden Arbeit wird der Einfluss der Fluegelgeometrie eines Flugzeugs auf seinen Nachlauf experimentell sowie numerisch untersucht. (orig.)

  2. In vivo NMR spectroscopy of ripening avocado

    International Nuclear Information System (INIS)

    Bennett, A.B.; Smith, G.M.; Nichols, B.

    1987-01-01

    Ripening of avocado fruit is associated with a dramatic increase in respiration. Previous studies have indicated that the increase in respiration is brought about by activation of the glycolytic reaction catalyzing the conversion of fructose-6-phosphate to fructose 1,6-bisphosphate. The authors reinvestigated the proposed role of glycolytic regulation in the respiratory increase using in vivo 31 P nuclear magnetic resonance (NMR) spectroscopy using an external surface coil and analysis of phosphofructokinase (PFK), phosphofructophosphotransferase (PFP), and fructose 2,6-bisphosphate (fru 2,6-P 2 ) levels in ripening avocado fruit. In vivo 31 P NMR spectroscopy revealed large increases in ATP levels accompanying the increase in respiration. Both glycolytic enzymes, PFK and PFP, were present in avocado fruit, with the latter activity being highly stimulated by fru 2,6-P 2 . Fructose 2,6-bisphosphate levels increased approximately 90% at the onset of ripening, indicating that the respiratory increase in ripening avocado may be regulated by the activation of PFP brought about by an increase in fru 2,6-P 2

  3. The D0 solenoid NMR magnetometer

    International Nuclear Information System (INIS)

    Sten Uldall Hansen; Terry Kiper; Tom Regan; John Lofgren

    2002-01-01

    A field monitoring system for the 2 Tesla Solenoid of the D0 detector is described. It is comprised of a very small NMR probe cabled to a DSP based signal processing board. The design magnetic field range is from 1.0 to 2.2 Tesla, corresponding to an RF frequency range of 42.57 to 93.67 MHz. The desired an accuracy is one part in 10 5 . To minimize material in the interaction region of the D0 detector, the overall thickness of the NMR probe is 4 mm, including its mounting plate, and its width is 10 mm. To minimize cable mass, 4mm diameter IMR-100A cables are used for transmitting the RF signals from a nearby patch panel 25 meters to each of four probes mounted within the bore of the solenoid. RG213U cables 45 meters long are used to send the RF from the movable counting house to the patch panel. With this setup, the detector signal voltage at the moving counting room is in the range of 250-400 mV

  4. Gerbstoffe aus Potentilla officinalis wirken entzündungshemmend im UV-Erythem-Test und bei Anwendung auf atopischer Haut.

    Science.gov (United States)

    Hoffmann, Julia; Wölfle, Ute; Schempp, Christoph M; Casetti, Federica

    2016-09-01

    Das Rhizom von Potentilla officinalis (PO) ist reich an Gerbstoffen und wird traditionell zur äußerlichen Behandlung von Entzündungen der Haut und der Schleimhäute verwendet. Ziel der vorliegenden Arbeit war die Bestätigung der antiinflammatorischen Eigenschaften von PO mittels eines UV-Erythem-Tests und einer klinischen Anwendungsstudie bei atopischer Haut. Die antiinflammatorische Wirkung eines PO-Extrakts (standardisiert auf 2 % Trockensubstanz) wurde in einer prospektiven, randomisierten, placebokontrollierten Doppelblindstudie mit 40 gesunden Erwachsenen im UV-Erythem-Test im Vergleich zu 1 % Hydrocortisonacetat untersucht. Im Rahmen einer prospektiven nicht kontrollierten Studie wurde die Wirkung und Verträglichkeit der 2 % PO-Creme an zwölf Erwachsenen und zwölf Kindern mit atopischer Haut nach Anwendung über zwei Wochen in einem definierten Testareal anhand eines Teil-SCORAD untersucht. Zusätzlich wurde die Beeinflussung der Hautrötung im Testareal photometrisch gemessen. Im UV-Erythem-Test zeigte die PO-Creme eine signifikante Reduktion des Erythemindex im Vergleich zum Vehikel. Die antiinflammatorische Wirkung des Verums entsprach der der 1 % Hydrocortisonacetat-Creme. Die klinische Studie bei Atopikern zeigte eine signifikante Abnahme des Teil-SCORAD und des Erythems im Testareal. Es wurden keine Unverträglichkeitsreaktionen beobachtet. PO als 2%ige Zubereitung besitzt entzündungshemmende Eigenschaften und ist wirksam und gut verträglich auf atopischer Haut. © 2016 Deutsche Dermatologische Gesellschaft (DDG). Published by John Wiley & Sons Ltd.

  5. On new paths. Hitchhiker's guide through beryllium chemistry; Auf neuen Pfaden. Per Anhalter durch die Berylliumchemie

    Energy Technology Data Exchange (ETDEWEB)

    Naglav, Dominik; Bendt, Georg; Schulz, Stephan [Duisburg-Essen Univ., Essen (Germany). Fakultaet fuer Chemie; Buchner, Magnus R.; Kraus, Florian [Marburg Univ. (Germany). Anorganische Chemie, Fluorchemie

    2016-08-26

    This short essay is intended as an introduction to all less experienced people in the field of beryllium chemistry. Current research findings on the toxicity of the element and its compounds are reviewed and various basic and necessary orientation aids for safe and correct handling in modern chemical research laboratories are presented. Phenomenological observations concerning the uniqueness of the element and its chemistry are communicated and placed in the historical context. We summarize many contributions and experiences of passionate scientists in this field. It is a matter of heart for us that our fellow students critically question and rethink the reservations about beryllium and their connections built up over generations, thus initiating a new era of intensive research into this scorned element. Who in the world should be able to manage beryllium and its connections more safely and more expertly than we do chemists? [German] Dieser Kurzaufsatz soll eine Einfuehrung fuer alle weniger Erfahrenen auf dem Gebiet der Berylliumchemie darstellen. Aktuelle Forschungsergebnisse ueber die Giftigkeit des Elements und seiner Verbindungen werden rezensiert und diverse grundlegende und noetige Orientierungshilfen fuer die sichere und richtige Handhabung in modernen chemischen Forschungslaboren vorgestellt. Phaenomenologische Beobachtungen bezueglich der Einzigartigkeit des Elements und seiner Chemie werden mitgeteilt und in den historischen Kontext gestellt. Wir fassen viele Beitraege und Erfahrungen von auf diesem Gebiet leidenschaftlich taetigen Wissenschaftlern zusammen. Es ist uns ein Herzensanliegen, dass unsere Kommilitonen die ueber Generationen aufgebauten Vorbehalte gegenueber Beryllium und seinen Verbindungen kritisch hinterfragen und ueberdenken und so eine neue Aera intensiver Forschung zu diesem verschmaehten Element eingeleitet wird. Wer in aller Welt soll denn das Beryllium und seine Verbindungen sicherer und fachkundiger handhaben koennen als wir

  6. System of liquid thermostatic control for jet experiments on NMR

    International Nuclear Information System (INIS)

    Selivanov, S.I.; Bogatkin, R.A.; Ershov, B.A.

    1983-01-01

    The system of liquid thermostating of a sensor of NMR spectrometer, used as a registering device in the method of continuous and interrupting stream, is described. Such method of thermostating permits to make kinetic measurements in the temperature range from -40 to +60 deg C with the accuracy +-0.1 deg C and removes the necessity for applying secondary temperature NMR standards

  7. NMR-Metabolic Methodology in the Study of GM Foods

    Science.gov (United States)

    The 1H NMR methodology used in the study of genetically modified (GM) foodstuff is discussed. The study of transgenic lettuce (Lactuca sativa cv "Luxor") over-expressing the KNAT1 gene from Arabidopsis is presented as a novel study-case. The 1H NMR metabolic profiling was carried out. Twenty-two wat...

  8. Rapid prediction of multi-dimensional NMR data sets

    International Nuclear Information System (INIS)

    Gradmann, Sabine; Ader, Christian; Heinrich, Ines; Nand, Deepak; Dittmann, Marc; Cukkemane, Abhishek; Dijk, Marc van; Bonvin, Alexandre M. J. J.; Engelhard, Martin; Baldus, Marc

    2012-01-01

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such “in silico” data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  9. Two-dimensional NMR spectroscopy. Applications for chemists and biochemists

    International Nuclear Information System (INIS)

    Croasmun, W.R.; Carlson, R.M.K.

    1987-01-01

    Two-dimensional nuclear magnetic resonance spectroscopy (2-D NMR) has become a very powerful class of experiments (in the hands of an adept scientist) with broad adaptability to new situations. It is the product of a happy marriage between modern pulse FT-NMR technology, with its large memory and high-speed computers, and the physicists and chemists who love to manipulate spin systems. Basic 2-D experiments are now a standard capability of modern NMR spectrometers, and this timely book intends to make 2-D NMR users of those who are familiar with normal 1-D NMR. The 2-D NMR goal is correlation of the lines of the observed NMR spectrum with other properties of the system. This book deals with applications to high-resolution spectrum analysis, utilizing either coupling between the NMR-active nuclei or chemical exchange to perform the correlation. The coupling can be scalar (through bonds) or direct through space (within 5 A). The coupling may be homonuclear (between like nuclei) or heteronuclear

  10. Rapid prediction of multi-dimensional NMR data sets

    Energy Technology Data Exchange (ETDEWEB)

    Gradmann, Sabine; Ader, Christian [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Heinrich, Ines [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Nand, Deepak [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Dittmann, Marc [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Cukkemane, Abhishek; Dijk, Marc van; Bonvin, Alexandre M. J. J. [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Engelhard, Martin [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Baldus, Marc, E-mail: m.baldus@uu.nl [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands)

    2012-12-15

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such 'in silico' data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  11. Improved Baseline in 29Si NMR Spectra of Water Glasses

    Czech Academy of Sciences Publication Activity Database

    Schraml, Jan; Sandor, P.; Korec, S.; Krump, M.; Foller, B.

    2013-01-01

    Roč. 51, č. 7 (2013), s. 403-406 ISSN 0749-1581 Grant - others:GA MPO(CZ) FR-TI1/335; GA MŠk(CZ) LM2011020 Institutional support: RVO:67985858 Keywords : NMR * 29Si NMR * acoustic ringing Subject RIV: JI - Composite Materials Impact factor: 1.559, year: 2013

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  13. Solution NMR Spectroscopy in Target-Based Drug Discovery.

    Science.gov (United States)

    Li, Yan; Kang, Congbao

    2017-08-23

    Solution NMR spectroscopy is a powerful tool to study protein structures and dynamics under physiological conditions. This technique is particularly useful in target-based drug discovery projects as it provides protein-ligand binding information in solution. Accumulated studies have shown that NMR will play more and more important roles in multiple steps of the drug discovery process. In a fragment-based drug discovery process, ligand-observed and protein-observed NMR spectroscopy can be applied to screen fragments with low binding affinities. The screened fragments can be further optimized into drug-like molecules. In combination with other biophysical techniques, NMR will guide structure-based drug discovery. In this review, we describe the possible roles of NMR spectroscopy in drug discovery. We also illustrate the challenges encountered in the drug discovery process. We include several examples demonstrating the roles of NMR in target-based drug discoveries such as hit identification, ranking ligand binding affinities, and mapping the ligand binding site. We also speculate the possible roles of NMR in target engagement based on recent processes in in-cell NMR spectroscopy.

  14. SPE-NMR metabolite sub-profiling of urine

    NARCIS (Netherlands)

    Jacobs, D.M.; Spiesser, L.; Garnier, M.; Roo, de N.; Dorsten, van F.; Hollebrands, B.; Velzen, van E.; Draijer, R.; Duynhoven, van J.P.M.

    2012-01-01

    NMR-based metabolite profiling of urine is a fast and reproducible method for detection of numerous metabolites with diverse chemical properties. However, signal overlap in the (1)H NMR profiles of human urine may hamper quantification and identification of metabolites. Therefore, a new method has

  15. Crystallographically-based analysis of the NMR spectra of maghemite

    International Nuclear Information System (INIS)

    Spiers, K.M.; Cashion, J.D.

    2012-01-01

    All possible iron environments with respect to nearest neighbour vacancies in vacancy-ordered and vacancy-disordered maghemite have been evaluated and used as the foundation for a crystallographically-based analysis of the published NMR spectra of maghemite. The spectral components have been assigned to particular configurations and excellent agreement obtained in comparing predicted spectra with published spectra taken in applied magnetic fields. The broadness of the published NMR lines has been explained by calculations of the magnetic dipole fields at the various iron sites and consideration of the supertransferred hyperfine fields. - Highlights: ► Analysis of 57 Fe NMR of maghemite based on vacancy ordering and nearest neighbour vacancies. ► Assignment of NMR spectral components based on crystallographic analysis of unique iron sites. ► Strong agreement between predicted spectra and published spectra taken in applied magnetic fields. ► Maghemite NMR spectral broadening due to various iron sites and supertransferred hyperfine field.

  16. NMR and the surgery of tumours at the craniocervical junction

    International Nuclear Information System (INIS)

    Ahyai, A.; Matsumara, A.; Rittmeyer, K.

    1987-01-01

    The diagnosis of tumors in the posterior fossa and at the craniocervical junction has always been problematic. In this region of the brain a clear visualization of the exact extent and relations of a space-occupying lesion is indispensable in assessing whether it is operable. Even though a tumor with its perifocal edema can be detected by CT, NMR opens new perspectives for the neurosurgeon. The authors present these cases in 3 groups. Group 1 comprises patients for whom NMR results contra-indicated operation. Group II consists of patients who would probably not have been operated on prior to the use of NMR. Group III includes patients who would probably not have been operated on prior to the use of NMR (e.g arachnoid cysts, Dandy-Walker malformations, etc); the excellent multi-dimensional imaging by NMR rendered the advisability of operation questionable, so that improved diagnostics may have spared the patients unnecessary operations

  17. $\\beta$-NMR of copper isotopes in ionic liquids

    CERN Multimedia

    We propose to test the feasibility of spin-polarization and $\\beta$-NMR studies on several short-lived copper isotopes, $^{58}$ Cu, $^{74}$Cu and $^{75}$Cu in crystals and liquids. The motivation is given by biological studies of Cu with $\\beta$-NMR in liquid samples, since Cu is present in a large number of enzymes involved in electron transfer and activation of oxygen. The technique is based on spin-polarization via optical pumping in the new VITO beamline. We will use the existing lasers, NMR magnet and NMR chambers and we will prepare a new optical pumping system. The studies will be devoted to tests of achieved $\\beta$-asymmetry in solid hosts, the behaviour of asymmetry when increasing vacuum, and finally NMR scans in ionic liquids. The achieved spin polarization will be also relevant for the plans to measure with high precision the magnetic moments of neutron-rich Cu isotopes.

  18. Dynamics of solutions and fluid mixtures by NMR

    International Nuclear Information System (INIS)

    Delpuech, J.J.

    1994-01-01

    After a short introduction to NMR spectroscopy, with a special emphasis on dynamical aspects, an overview on two fundamental aspects of molecular dynamics, NMR relaxation and its relationship with molecular reorientation, and magnetization transfer phenomena induced by molecular rate processes (dynamic NMR) is presented, followed by specific mechanisms of relaxation encountered in paramagnetic systems or with quadrupolar nuclei. Application fields are then reviewed: solvent exchange on metal ions with a variable pressure NMR approach, applications of field gradients in NMR, aggregation phenomena and micro-heterogeneity in surfactant solutions, polymers and biopolymers in the liquid state, liquid-like molecules in rigid matrices and in soft matter (swollen polymers and gels, fluids in and on inorganic materials, food)

  19. Value of NMR logging for heavy oil characterization

    Energy Technology Data Exchange (ETDEWEB)

    Chen, S.; Chen, J.; Georgi, D. [Baker Hughes, Calgary, AB (Canada); Sun, B. [Chevron Energy Technology Co., Calgary, AB (Canada)

    2008-07-01

    Non-conventional, heavy oil fields are becoming increasingly important to the security of energy supplies and are becoming economically profitable to produce. Heavy oil reservoirs are difficult to evaluate since they are typically shallow and the connate waters are very fresh. Other heavy oil reservoirs are oil-wet where the resistivities are not indicative of saturation. Nuclear magnetic resonance (NMR) detects molecular level interactions. As such, it responds distinctively to different hydrocarbon molecules, thereby opening a new avenue for constituent analysis. This feature makes NMR a more powerful technique than bulk oil density or viscosity measurements for characterizing oils, and is the basis for detecting gas in heavy oil fields. NMR logging, which measures fluid in pore space directly, is capable of separating oil from water. It is possible to discern movable from bound water by analyzing NMR logs. The oil viscosity can be also quantified from NMR logs, NMR relaxation time and diffusivity estimates. The unique challenges for heavy oil reservoir characterization for the NMR technique were discussed with reference to the extra-fast decay of the NMR signal in response to extra-heavy oil/tars, and the lack of sensitivity in measuring very slow diffusion of heavy oil molecules. This paper presented various methods for analyzing heavy oil reservoirs in different viscosity ranges. Heavy oil fields in Venezuela, Kazakhstan, Canada, Alaska and the Middle East were analyzed using different data interpretation approaches based on the reservoir formation characteristics and the heavy oil type. NMR direct fluid typing was adequate for clean sands and carbonate reservoirs while integrated approaches were used to interpret extra heavy oils and tars. It was concluded that NMR logs can provide quantitative measures for heavy oil saturation, identify sweet spots or tar streaks, and quantify heavy oil viscosity within reasonable accuracy. 14 refs., 16 figs.

  20. Investigation of zeolites by solid state quadrapole NMR

    International Nuclear Information System (INIS)

    Janssen, R.

    1990-01-01

    The subject of this thesis is the NMR investigation of zeolites. The nature and properties of zeolites are discussed. Some of the basic priniples of NMR techniques on quadrupole nuclei are presented. A special technique, namely a two-dimensional nutation experiment is discussed in detail. The theory of the nutation experiment for quadrupole spin species with spin quantum number 3/2 as well as 5/2 is presented. For both spin spcies the theoretical spectra are compared with experimental results. It is also shown that the nutation expeirment can be performed with several pulse schemes. It is shown how phase-sensitive pure-absorption nutation spectra can be obtained and an NMR-probe is presented that is capable of performing NMR experiments at high (up to 500 degree C) temperatures. The two-dimensional nutation NMR technique has been applied to sodium cations in zeolite NaA. For this purpose a numbre of zeolite samples were prepared that contained different amounts of water. With the aid of nutation NMR the hydration of the zeolite can be studied and conclusions can be drawn about the symmetry of the surrounding of the sodium cations. With the aid of an extension of the nutation NMR experiment: Rotary Echo Nutation NMR, it is shown that in zeolite NaA, in various stages of hydration, the sodium cations or water molecules are mobile. Proof is given by means of high-temperature 23 Na-NMR that dehydrates zeolite NaA undergoes a phase transition at ca. 120 degree C. In a high-temperature NMR investigation of zeolite ZSM-5 it is shown that the sodium ions start to execute motions when the temperature is increased. (author). 198 refs.; 72 figs.; 6 tabs

  1. Variations of NMR signals by hyperpolarization and ultrasound; Variation von NMR-Signalen durch Hyperpolarisation und Ultraschall

    Energy Technology Data Exchange (ETDEWEB)

    Engelbertz, A.

    2006-07-01

    In this thesis it is described how p-NMR can be applied to metals with verlo low hydrogen concentrations and how a combination of ultrasound and NMR can lead to an improvement of the measureing method. As examples measurements on H{sub 2}O and ethanol are described. (HSI)

  2. A thermodynamic evaluation of the potential for cryptic formation of incidental Au-Fe alloy catalysts during flexible cell experimental studies of abiotic alkanogenesis during serpentinization

    Science.gov (United States)

    Lazar, C.

    2017-12-01

    The formation of abiotic alkanes via CO2 reduction during serpentinization is an important process in astrobiology and geochemistry. Aqueous alkane concentrations in natural settings are often non-equilibrated, thus motivating many experimental studies of CO2 reduction kinetics. A well-established result of such studies is the strong catalytic effect of metallic Feo on the conversion rate of CO2 to alkanes. Because alkanogenetic serpentinization experiments often feature Fe-bearing minerals contained in gold vessels, incidental metallic Feo may precipitate during an experiment as Au-Fe alloy. Such alloy may be catalytic, potentially leading to artificially rapid alkanogenesis and an overestimation of the catalytic strength of nominally nonmetallic Fe-bearing minerals, even if isotopically labeled 13C is used. To evaluate this potential for Au-Fe alloying, a thermodynamic analysis of the effect of oxygen fugacity on Au-Fe mixing has been performed at metamorphic grades relevant to experimental alkanogenesis. The results show that even relatively oxidized metal-free mineral assemblages such as the quartz-fayalite-magnetite buffer (QFM) can stably coexist with an Au-Fe alloy containing a few hundred ppm Fe. Given the strong catalytic effect of metallic Fe, any hydrocarbons generated during a hypothetical experiment containing, for example, the QFM assemblage might be catalyzed by trace Fe in an Au-Fe alloy, not by a QFM mineral. The effect is stronger for assemblages more reducing than QFM, which are notably common in serpentinites. This is a source of experimental uncertainty in reusable flexible gold cell apparatus that cannot be assessed by traditional blank experiments, which only demonstrate the effectiveness of post-run acid-cleaning procedures. A more effective approach would be the chemical analysis of a small, recoverable gold chip embedded into the experimental materials. By assuming that the experimental materials interact identically with the Au chip and

  3. Automated protein structure calculation from NMR data

    International Nuclear Information System (INIS)

    Williamson, Mike P.; Craven, C. Jeremy

    2009-01-01

    Current software is almost at the stage to permit completely automatic structure determination of small proteins of <15 kDa, from NMR spectra to structure validation with minimal user interaction. This goal is welcome, as it makes structure calculation more objective and therefore more easily validated, without any loss in the quality of the structures generated. Moreover, it releases expert spectroscopists to carry out research that cannot be automated. It should not take much further effort to extend automation to ca 20 kDa. However, there are technological barriers to further automation, of which the biggest are identified as: routines for peak picking; adoption and sharing of a common framework for structure calculation, including the assembly of an automated and trusted package for structure validation; and sample preparation, particularly for larger proteins. These barriers should be the main target for development of methodology for protein structure determination, particularly by structural genomics consortia

  4. High Magnetic Field Vortex Microscopy by NMR

    Science.gov (United States)

    Mitrović, V. F.; Sigmund, E. E.; Bachman, H. N.; Halperin, W. P.; Reyes, A. P.; Kuhns, P.; Moulton, W. G.

    2001-03-01

    At low temperatures the ^17O NMR spectrum of HTS exhibits a characteristic vortex lattice line shape. Measurements of spin-lattice relaxation rate, T_1-1, across the vortex spectrum represent a probe of low-energy quasiparticle excitations as a function of distance from the vortex core. We report ^17O(2,3) T_1-1 measurements of YBa_2Cu_3O7 at low temperatures in magnetic fields up to 37 T. We find that the rate increases on approaching the vortex core. In the vortex core region at 37 T we observe an additional increase in the relaxation rate. The temperature dependence of the rate will also be discussed. Work at Northwestern University is supported by the NSF (DMR 91-20000) through the Science and Technology Center for Superconductivity.

  5. INFOS: spectrum fitting software for NMR analysis

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Albert A., E-mail: alsi@nmr.phys.chem.ethz.ch [ETH Zürich, Physical Chemistry (Switzerland)

    2017-02-15

    Software for fitting of NMR spectra in MATLAB is presented. Spectra are fitted in the frequency domain, using Fourier transformed lineshapes, which are derived using the experimental acquisition and processing parameters. This yields more accurate fits compared to common fitting methods that use Lorentzian or Gaussian functions. Furthermore, a very time-efficient algorithm for calculating and fitting spectra has been developed. The software also performs initial peak picking, followed by subsequent fitting and refinement of the peak list, by iteratively adding and removing peaks to improve the overall fit. Estimation of error on fitting parameters is performed using a Monte-Carlo approach. Many fitting options allow the software to be flexible enough for a wide array of applications, while still being straightforward to set up with minimal user input.

  6. NMR Measurements of Granular Flow and Compaction

    Science.gov (United States)

    Fukushima, Eiichi

    1998-03-01

    Nuclear magnetic resonance (NMR) can be used to measure statistical distributions of granular flow velocity and fluctuations of velocity, as well as spatial distributions of particulate concentration, flow velocity, its fluctuations, and other parameters that may be derived from these. All measurements have been of protons in liquid-containing particles such as mustard seeds or pharmaceutical pills. Our favorite geometry has been the slowly rotating partially filled rotating drum with granular flow taking place along the free surface of the particles. All the above-mentioned parameters have been studied as well as a spatial distribution of particulate diffusion coefficients, energy dissipation due to collisions, as well as segregation of non-uniform mixtures of granular material. Finally, we describe some motions of granular material under periodic vibrations.

  7. NMR spectroscopy: a tool for conformational analysis

    International Nuclear Information System (INIS)

    Tormena, Claudio F.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.

    2011-01-01

    The present review deals with the application of NMR data to the conformational analysis of simple organic compounds, together with other experimental methods like infrared spectroscopy and with theoretical calculations. Each sub-section describes the results for a group of compounds which belong to a given organic function like ketones, esters, etc. Studies of a single compound, even of special relevance, were excluded since the main goal of this review is to compare the results for a given function, where different substituents were used or small structural changes were introduced in the substrate, in an attempt to disclose their effects in the conformational equilibrium. Moreover, the huge amount of data available in the literature, on this research field, imposed some limitations which will be detailed in the Introduction, but it can be reminded in advance that these limitations include mostly the period when these results were published. (author)

  8. ImatraNMR: Novel software for batch integration and analysis of quantitative NMR spectra

    Science.gov (United States)

    Mäkelä, A. V.; Heikkilä, O.; Kilpeläinen, I.; Heikkinen, S.

    2011-08-01

    Quantitative NMR spectroscopy is a useful and important tool for analysis of various mixtures. Recently, in addition of traditional quantitative 1D 1H and 13C NMR methods, a variety of pulse sequences aimed for quantitative or semiquantitative analysis have been developed. To obtain actual usable results from quantitative spectra, they must be processed and analyzed with suitable software. Currently, there are many processing packages available from spectrometer manufacturers and third party developers, and most of them are capable of analyzing and integration of quantitative spectra. However, they are mainly aimed for processing single or few spectra, and are slow and difficult to use when large numbers of spectra and signals are being analyzed, even when using pre-saved integration areas or custom scripting features. In this article, we present a novel software, ImatraNMR, designed for batch analysis of quantitative spectra. In addition to capability of analyzing large number of spectra, it provides results in text and CSV formats, allowing further data-analysis using spreadsheet programs or general analysis programs, such as Matlab. The software is written with Java, and thus it should run in any platform capable of providing Java Runtime Environment version 1.6 or newer, however, currently it has only been tested with Windows and Linux (Ubuntu 10.04). The software is free for non-commercial use, and is provided with source code upon request.

  9. NMR study of hyper-polarized 129Xe and applications to liquid-phase NMR experiments

    International Nuclear Information System (INIS)

    Marion, D.

    2008-07-01

    In liquid samples where both nuclear polarization and spin density are strong, the magnetization dynamics, which can be analysed by NMR (nuclear magnetic resonance) methods, is deeply influenced by the internal couplings induced by local dipolar fields. The present thesis describes some of the many consequences associated to the presence in the sample of concentrated xenon hyper-polarized by an optical pumping process. First, we deal with the induced modifications in frequency and line width of the proton and xenon spectra, then we present the results of SPIDER, a coherent polarization transfer experiment designed to enhance the polarization of protons, in order to increase their NMR signal level. A third part is dedicated to the description of the apparition of repeated chaotic maser emissions by un unstable xenon magnetization coupled to the detection coil tuned at the xenon Larmor frequency (here 138 MHz). In the last part, we present a new method allowing a better tuning of any NMR detection probe and resulting in sensible gains in terms of sensitivity and signal shaping. Finally, we conclude with a partial questioning of the classical relaxation theory in the specific field of highly polarized and concentrated spin systems in a liquid phase. (author)

  10. Influencing parameters of water and methanol transport in a big direct methanol fuel cell; Einflussgroessen auf den Wasser- und Methanoltransport einer groesseren Direkt-Methanol Brennstoffzelle

    Energy Technology Data Exchange (ETDEWEB)

    Schonert, Morten

    2008-07-01

    . There was no effect of cathode water on the cell voltage. However, the influence of different catalysts could be clearly identified and is a major influencing factor of MEA performance. The stability of the cell voltage, on the other hand, is strongly dependent on the flow distribution structure. For example, with a single meander operation at the low air volume flows required for water autonomy is possible. Methanol permeation can be influenced and minimized via the methanol concentration on the anode as a function of current density. (orig.) [German] In der vorliegenden Arbeit wurden die Einflussgroessen auf den Wasser- und Methanoltransport einer groesseren Direkt-Methanol Brennstoffzelle (Pel > 1 kW) untersucht. Hintergrund ist ein angestrebter wasserautarker Betrieb eines Direkt-Methanol Brennstoffzellensystems. Da bei der elektrochemischen Reaktion auf der Anode Wasser verbraucht wird und auf der Kathode dabei mehr Wasser entsteht, muss diese Differenz ueber die Luft ausgetragen werden. Alles weiter auf der Kathode anfallende Wasser muss kondensiert und der Anode zurueckgefuehrt werden. Mit zunehmender Umgebungstemperatur muss dabei der Luftvolumenstrom reduziert werden, da ansonsten mehr Wasser als erlaubt ausgetragen wuerde. Des Weiteren fuehren niedrigere Luftvolumenstroeme auf der Kathode zu einer instabilen Zellspannung, was auch einem uebermaessigen Anfall von Wasser zugeschrieben wird. Es ist daher von der Seite der Systemtechnik gewollt, die Menge des auf der Kathode anfallenden Wassers zu reduzieren. Es zeigte sich, dass die Wasserpermeation durch die Membran-Elektroden-Einheit (MEA) bei den fuer das Erreichen der Wasserautarkie notwendigen geringen Luftvolumenstroemen vorrangig von der Aufnahmekapazitaet und der Verweilzeit der Luft ueber der Kathode abhaengig ist und weniger von der Art des auf der Kathode verwendeten Materials. Die Wasserpermeation kommt bei einem Ausgleich des Konzentrationsgradienten zum Stillstand. Neben der Wasserpermeation kommt

  11. Can NMR solve some significant challenges in metabolomics?

    Science.gov (United States)

    Gowda, G.A. Nagana; Raftery, Daniel

    2015-01-01

    The field of metabolomics continues to witness rapid growth driven by fundamental studies, methods development, and applications in a number of disciplines that include biomedical science, plant and nutrition sciences, drug development, energy and environmental sciences, toxicology, etc. NMR spectroscopy is one of the two most widely used analytical platforms in the metabolomics field, along with mass spectrometry (MS). NMR's excellent reproducibility and quantitative accuracy, its ability to identify structures of unknown metabolites, its capacity to generate metabolite profiles using intact biospecimens with no need for separation, and its capabilities for tracing metabolic pathways using isotope labeled substrates offer unique strengths for metabolomics applications. However, NMR's limited sensitivity and resolution continue to pose a major challenge and have restricted both the number and the quantitative accuracy of metabolites analyzed by NMR. Further, the analysis of highly complex biological samples has increased the demand for new methods with improved detection, better unknown identification, and more accurate quantitation of larger numbers of metabolites. Recent efforts have contributed significant improvements in these areas, and have thereby enhanced the pool of routinely quantifiable metabolites. Additionally, efforts focused on combining NMR and MS promise opportunities to exploit the combined strength of the two analytical platforms for direct comparison of the metabolite data, unknown identification and reliable biomarker discovery that continue to challenge the metabolomics field. This article presents our perspectives on the emerging trends in NMR-based metabolomics and NMR's continuing role in the field with an emphasis on recent and ongoing research from our laboratory. PMID:26476597

  12. Can NMR solve some significant challenges in metabolomics?

    Science.gov (United States)

    Nagana Gowda, G. A.; Raftery, Daniel

    2015-11-01

    The field of metabolomics continues to witness rapid growth driven by fundamental studies, methods development, and applications in a number of disciplines that include biomedical science, plant and nutrition sciences, drug development, energy and environmental sciences, toxicology, etc. NMR spectroscopy is one of the two most widely used analytical platforms in the metabolomics field, along with mass spectrometry (MS). NMR's excellent reproducibility and quantitative accuracy, its ability to identify structures of unknown metabolites, its capacity to generate metabolite profiles using intact bio-specimens with no need for separation, and its capabilities for tracing metabolic pathways using isotope labeled substrates offer unique strengths for metabolomics applications. However, NMR's limited sensitivity and resolution continue to pose a major challenge and have restricted both the number and the quantitative accuracy of metabolites analyzed by NMR. Further, the analysis of highly complex biological samples has increased the demand for new methods with improved detection, better unknown identification, and more accurate quantitation of larger numbers of metabolites. Recent efforts have contributed significant improvements in these areas, and have thereby enhanced the pool of routinely quantifiable metabolites. Additionally, efforts focused on combining NMR and MS promise opportunities to exploit the combined strength of the two analytical platforms for direct comparison of the metabolite data, unknown identification and reliable biomarker discovery that continue to challenge the metabolomics field. This article presents our perspectives on the emerging trends in NMR-based metabolomics and NMR's continuing role in the field with an emphasis on recent and ongoing research from our laboratory.

  13. Molecular dynamics simulations on PGLa using NMR orientational constraints

    Energy Technology Data Exchange (ETDEWEB)

    Sternberg, Ulrich, E-mail: ulrich.sternberg@partner.kit.edu; Witter, Raiker [Tallinn University of Technology, Technomedicum (Estonia)

    2015-11-15

    NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide.

  14. Effects of laminations in pipes to resistance and working life of pipelines; Auswirkung von Doppelungen in Rohren auf die Festigkeit und die Lebensdauer von Mineraloelfernleitungen

    Energy Technology Data Exchange (ETDEWEB)

    Camp, H.J. de la; Feser, G; Schmidt, H [Technischer Ueberwachungs-Verein Bayern Hessen Sachsen e.V., Muenchen (Germany)

    1998-03-01

    The effect of load cycles on pipes with laminations was examined to obtain information about the effects on resistance and working life. Material tests carried out in connection with threshold load tests showed that laminations or also segregations in pipes welded with longitudinal seams always run parallel to the surface and that even with the slight enlargement that sometimes occurs under threshold loading, resistance and working life are not reduced. (orig.) [Deutsch] Die Auswirkung von dynamischen Belastungen auf dopplungsbehaftete Rohre wurde untersucht, um Erkenntnisse hinsichtlich der Beeinflussung auf die Festigkeit der Lebensdauer zu gewinnen. Durchgefuehrte Werkstoffuntersuchungen im Zusammenhang mit Schwelllastversuchen zeigten, dass Doppelungen oder auch Seigerungen in laengsnahtgeschweissten Rohren immer oberflaechenparallel verlaufen und dass selbst bei der unter Schwellastbeanspruchung teilweise eingetretenen geringfuegigen Vergroesserung die Festigkeit und die Lebensdauer nicht eingeschraenkt wird. (orig.)

  15. Rezension zu: Elisabeth Tuider, Martin Dannecker: Das Recht auf Vielfalt. Aufgaben und Herausforderungen sexueller Bildung. Göttingen: Wallstein Verlag 2016.

    Directory of Open Access Journals (Sweden)

    Marcus Felix

    2017-06-01

    Full Text Available Sexuelle Bildung ist und war schon immer eine umkämpfte Disziplin der Pädagogik. Dabei ist die aktuelle Erregung um diese als Reaktion auf die fortschreitende Pluralisierung von Lebensentwürfen und die Liberalisierung von Normen und Werten zu verstehen, auf die eine diversitätsbewusste Sexualpädagogik in ihren Konzepten Bezug nimmt, die aber von ultrakonservativen, fundamentalistischen und rechtsradikalen Gruppierungen angegriffen werden. Diese Gemengelage nehmen die Autor_innen zum Anlass, um ausgewählte in der Kritik stehende Inhalte einer sexualfreundlichen Bildung zu besprechen und die Argumentationsmuster der Kritiker_innen zu verdeutlichen. Damit trägt der Band zur (Re-Kontextualisierung und Versachlichung einer hochemotionalen Auseinandersetzung über sexuelle Bildung bei.

  16. Power generation from animal meal in the circulating fluidized bed combustor at Lippewerk, Luenen; Energetische Nutzung von Tiermehl in der Zirkulierenden Wirbelschichtanlage (ZWS) auf dem Lippewerk, Luenen

    Energy Technology Data Exchange (ETDEWEB)

    Fendel, A. [Rethmann Lippewerk GmbH, Luenen (Germany)

    2001-07-01

    Experiments have shown that the Luenen plant can be operated with animal meal as mono-fuel. In fact, combustion characteristics will be better and emissions lower. The ash has an excellent burnout. It contains no proteins, so it appears reasonable to assume that any prions will be destroyed during combustion. [German] Auf Basis der bestehenden Betriebserfahrungen ist die ZWS in Luenen technisch nachweislich in der Lage, 100% der Feuerungswaermeleistung ueber Tiermehl abzudecken. Damit ist ein Betrieb als Monobrennstoffanlage durchfuehrbar. Besonders erfreulich ist zu werten, dass sich bei dem Einsatz von Tiermehl das Verbrennungsverhalten der Anlage positiver darstellt und eine Verbesserung der Emissionssituation auftritt. Die entstehende Asche weist einen ungewoehnlich guten Ausbrand auf. In ihr sind Proteine nicht mehr nachweisbar und daraus kann rueckgeschlossen werden, dass in der ZWS auch potentiell Prionen vernichtet werden. (orig.)

  17. Durch Athen auf Frankfurt blicken ‚Austerity Urbanism‘, Uneven Development und Alltäglichkeit – Reflektionen aus zwei Workshops

    Directory of Open Access Journals (Sweden)

    Felix Wiegand

    2016-11-01

    Full Text Available Aufbauend auf den Erfahrungen zweier Workshops zu (urbaner Austerität in Griechenland und Deutschland diskutiert der Beitrag die (unterschiedliche Geschichte und Geographie der Austerität mit besonderem Blick auf die Regionen Frankfurt/Rhein-Main und Athen. Die Erfahrungen der multiplen Krise seit 2008, die sich in Griechenland vor dem Hintergrund einer austeritätspolitischen ‚Shock Doctrine’ und in der BRD im Kontext eines langfristigen Projekts der ‚scheibchenweisen’ Austerität entwickelten, eröffnen dabei die Möglichkeit, die Debatten um urbane Austerität einem kritischen Blick zu unterziehen. Der Beitrag sieht insbesondere im Bereich der Krisen der (urbanen sozialen Reproduktion sowie der Krisen der (städtischen Politik und Repräsentation weiteren Forschungsbedarf.

  18. Molecular dynamics computer simulations based on NMR data

    International Nuclear Information System (INIS)

    Vlieg, J. de.

    1989-01-01

    In the work described in this thesis atom-atom distance information obtained from two-dimensional cuclear magnetic resonance is combined with molecular dynamics simulaitons. The simulation is used to improve the accuracy of a structure model constructed on the basis of NMR data. During the MD refinement the crude NMR structure is simultaneously optimized with respect to the atomic interaction function and to the set of atom-atom distances or other NMR information. This means that insufficient experimental data is completed with theoretical knowledge and the combination will lead to more reliable structures than would be obtained from one technique alone. (author). 191 refs.; 17 figs.; 12 schemes; 22 tabs

  19. Moessbauer and NMR study of novel Tin(IV)-lactames

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, Erno; Szalay, Roland; Homonnay, Zoltan, E-mail: homonnay@ludens.elte.hu; Nagy, Sandor [Eoetvoes Lorand University, Institute of Chemistry (Hungary)

    2012-03-15

    N-tributylstannylated 2-pyrrolidinone was reacted with tributyltin triflate in different molar ratios and the complex formation monitored using {sup 1}H-NMR, {sup 13}C-NMR and {sup 119}Sn Moessbauer spectroscopy. Comparing the carbon NMR and tin Moessbauer results, a reaction scheme is suggested for the complexation which assumes the formation of a simultaneously O- and N-tributylstannylated pyrrolidinone cation. The formation of the only O-stannylated pyrrolidinone is also assumed to account for the non-constant Moessbauer parameters of the two tin environments in the distannylated pyrrolidinone cation when the ratio of tributyltin triflate is increased in the reaction.

  20. NMR imaging of bladder tumors in males. Preliminary clinical experience

    International Nuclear Information System (INIS)

    Sigal, R.; Rein, A.J.J.T.; Atlan, H.; Lanir, A.; Kedar, S.; Segal, S.

    1985-01-01

    Nuclear magnetic resonance (NMR) of the normal and pathologic bladder was performed in 10 male subjects: 5 normal volunteers, 4 with bladder primary carcinoma, 1 with bladder metastasis. All scanning was done using a superconductive magnet operating at 0.5 T. Spin echo was used as pulse sequence. The diagnosis was confirmed in all cases by NMR imaging. The ability of the technique to provide images in axial, sagital and coronal planes allowed a precise assessment of the morphology and the size of the tumors. The lack of hazards and the quality of images may promote NMR imaging to a prominent role in the diagnosis of human bladder cancer [fr

  1. NMR and domain wall mobility in intermetallic compounds

    International Nuclear Information System (INIS)

    Guimaraes, A.P.; Sampaio, L.C.; Cunha, S.F.; Alves, K.M.B.

    1991-01-01

    The technique of pulsed NMR can be used to study the distribution of hyperfine fields in a magnetic matrix. The dynamics of the domain walls are relevant to the generation of NMR signals. In the present study on the (R x Y 1-x ) Fe 2 intermetallic compounds, the reduction in the signals is associated to increased propagation fields. This indicates that a smaller domain wall mobility is at the origin of these effects. NMR spectra in this system show the importance of direct and indirect (i.e., mediated by Fe atoms) terms in the transferred hyperfine field. (author)

  2. NMR studies of metallic tin confined within porous matrices

    International Nuclear Information System (INIS)

    Charnaya, E. V.; Tien, Cheng; Lee, M. K.; Kumzerov, Yu. A.

    2007-01-01

    119 Sn NMR studies were carried out for metallic tin confined within synthetic opal and porous glass. Tin was embedded into nanoporous matrices in the melted state under pressure. The Knight shift for liquid confined tin was found to decrease with decreasing pore size. Correlations between NMR line shapes, Knight shift, and pore filling were observed. The melting and freezing phase transitions of tin under confinement were studied through temperature dependences of NMR signals upon warming and cooling. Melting of tin within the opal matrix agreed well with the liquid skin model suggested for small isolated particles. The influence of the pore filling on the melting process was shown

  3. Untersuchungen zur Wirkung von Pfefferminzöl, Kümmelöl und Miglyol auf die gastrale und duodenale Motilität

    OpenAIRE

    Jung, Oliver

    2000-01-01

    Die nicht-ulzerative Dyspepsie ist eine häufige Ausschlußdiagnose bei Oberbauchbeschwerden ohne objektivierbare organische Läsion. Pathogenetisch werden unter anderem Motilitätsstörungen des Gastrointestinaltraktes beobachtet und angenommen. In einer prospektiven, offenen, kontollierten Studie wurde die Wirkung von Pfefferminzöl, Kümmelöl und Miglyol auf die gastrale und duodenale Motilität an gesunden Probanden untersucht. Als standardisiertes Meßverfahren wurde die antroduode...

  4. Azelainsäure 20 % Creme: Auswirkung auf Lebensqualität und Krankheitsaktivität bei erwachsenen Patientinnen mit Acne vulgaris.

    Science.gov (United States)

    Kainz, Julius Thomas; Berghammer, Gabriele; Auer-Grumbach, Piet; Lackner, Verena; Perl-Convalexius, Sylvia; Popa, Rodica; Wolfesberger, Barbara

    2016-12-01

    Zur Wirksamkeit von Aknetherapien und deren Auswirkungen auf die Lebensqualität erwachsener Patienten liegen kaum Daten vor. ZIEL: Erhebung der Wirkung von Azelainsäure 20 % Creme (Skinoren ® ) auf Akne-Schweregrad und krankheitsbedingte Lebensqualität. Nichtinterventionelle Studie bei erwachsenen Patientinnen mit leichter bis mittelschwerer Akne. Wirksamkeitsparameter waren DLQI sowie Akne-Schweregrad im Gesicht, am Dekolleté sowie am Rücken im Gesamturteil des Prüfarztes (IGA-Skala: Grad 1 = annähernd reine Haut; 2 = leichte Akne; 3 = mittelschwere Akne). Visiten waren zu Studienbeginn sowie nach 4-8 und zwölf Wochen geplant. Von den 251 eingeschlossenen Patientinnen lag zu Studienbeginn bei 59 %, 31 % bzw. 10 % ein IGA-Grad von 1, 2 bzw. 3 vor; die am häufigsten betroffene Hautpartie war das Gesicht (IGA-Grad 2 oder 3: 79 %). Nach zwölf Behandlungswochen war eine signifikante Besserung der Acne vulgaris im Gesicht (IGA-Grad 0 oder 1: 82 %) sowie auf Dekolleté und Rücken feststellbar. Der mediane DLQI-Wert sank von neun zu Studienbeginn auf fünf nach zwölf Behandlungswochen. Neunzig Prozent der behandelnden Ärzte und Patientinnen beurteilten die Verträglichkeit der Behandlung als sehr gut oder gut. Die Anwendung von 20%iger Azelainsäure-Creme führt bei erwachsenen Frauen zu einer signifikanten Besserung der Acne vulgaris und der krankheitsbedingten Lebensqualität. © 2016 Deutsche Dermatologische Gesellschaft (DDG). Published by John Wiley & Sons Ltd.

  5. Einfluss eines nanogefüllten Schutzlackes auf das Ermüdungsverhalten eines Glasionomerzementes in destilliertem Wasser und künstlichem Speichel

    OpenAIRE

    Knöllinger, Melissa

    2012-01-01

    Hintergrund und Ziele Glasionomerzemente (GIZ) sind in der Zahnmedizin seit Jahrzehnten ein bewährtes Füllungsmaterial. Die Sprödigkeit des Materials resultiert allerdings in mangelnder mechanischer Stabilität, welches die Indikationen bisher auf nicht lasttragende Bereiche im bleibenden Gebiss limitiert. Ein neuartiger, mit Nanopartikeln (kolloidales Siliziumdioxid)angereicherter, lichtpolymerisierbarer Schutzlack (G-Coat Plus), ergibt zusammen mit einem stopfbaren Glasionomerzement (Fuji IX...

  6. Development and simulation of a hydrogen production plant on a solar power tower; Entwicklung und Simulation einer Wasserstofferzeugungsanlage auf einem Solarturm

    Energy Technology Data Exchange (ETDEWEB)

    Saeck, Jan-Peter

    2012-08-29

    The purpose of the present project was to develop and qualify a test plant for thermochemical hydrogen production on a solar power tower and to create and validate a systems and control model as well as an operating strategy for this purpose. [German] Ziel der Arbeit war, eine Testanlage zur thermochemischen Wasserstofferzeugung auf einem Solarturmsystem zu entwickeln und zu qualifizieren, sowie ein System- und Regelungsmodell und eine Betriebsstrategie dafuer zu erstellen und zu validieren.

  7. Trennung der Eltern: Wie wird sie den Kindern vermittelt und welchen Einfluss haben Art und Inhalt der Mitteilung auf das Trennungserleben der Kinder?

    OpenAIRE

    Weber, Annhild; Karle, Michael; Klosinski, Gunther

    2004-01-01

    Anhand von 45 Sorgerechtsgutachten über 89 Kinder aus den Jahren 1996-1999 und 62 schriftlich beantworteten Katamnesebögen der entsprechenden Eltern wurde untersucht, wie die Eltern den Kindern von ihrer bevorstehenden Trennung berichteten und ob Art und Inhalt dieser Mitteilung Auswirkungen auf die Trennungsbewältigung der betroffenen Kinder hatten. Hierzu wurde ein Fragebogen zur Gutachtenauswertung und zur Katamnesenerhebung erstellt. Es zeigte sich, dass nur in 48,9 % der Famil...

  8. Feinkartierung von Loss of Heterozygosity-Intervallen auf Chromosom 11p und Untersuchungen zum Expressions- und Methylierungsstatus von FANCF beim Ovarialkarzinom

    OpenAIRE

    Schulze, Kathrin

    2011-01-01

    Um Tumorsuppressorgene beim Ovarialkarzinom zu identifizieren wurde eine Kartierung von LOH-Intervallen der Region 11p15.5 - 11p11.2 mittels 11 Mikrosatellitenmarkern an 47 Ovarialtumorproben vorgenommen. Im Bereich des ST5- und AFM255/KAI1-Locus konnten potentielle Intervalle abgegrenzt werden. Das Fanconi Anämie Gen FANCF wurde für Untersuchungen zum Expressions- und Methylierungsstatus ausgewählt, da dessen Abschaltung mit einem besseren Ansprechen auf Cisplatin bei Ovarialkarzinompatienti...

  9. A concept for the development of piezoceramic materials based on lead zirconate titanate (PZT). Part 2; Ein Entwicklungskonzept piezokeramischer Werkstoffe auf der Basis von Bleizirkonattitanat (PZT). Teil 2

    Energy Technology Data Exchange (ETDEWEB)

    Helke, G. [CeramTec AG, Lauf a.d. Pegnitz (Germany)

    2002-07-01

    Piezoceramic ceramics based on Lead Zircontate Titanate (PZT) show - within a relatively close Zr/Ti ratio range (close to the ratio 0.5/0.5) - extreme values for remanent polarization P{sub r} and the dielectric coefficient {epsilon}{sub 33}{sup {tau}}/{epsilon}{sub 0} as well as their corresponding piezoelectric coefficients. Remanent polarization P{sub t} can be directly correlated to the structural parameter {delta} (spontaneous deformation) and the domain mobility {eta}. PZT modification results from the substitution of isovalent or heterovalent ions, thereby taking ion radii and valency at the A and B sites of the perovskite-type lattice under consideration. The substitution of specific ions is the process used to develop new piezoceramic materials which is mainly applied to determine the values of specific parameters corresponding to technical requirements. (orig.) [German] Piezoelektrische Keramiken auf der Basis von Bleizirkonattitanat (PZT) weisen in einem relativ engen Bereich des Zr/Ti-Verhaeltnisses (nahe dem Verhaeltnis 0,5/0,5). Extremwerte der remanenten Polarisation P{sub r} und der Dielektrizitaetskonstanten {epsilon}{sub 33}{sup {tau}}/{epsilon}{sub 0} sowie der von ihnen abhaengigen piezoelektrischen Kenngroessen auf. Die remanente Polarisation P{sub r} laesst sich unmittelbar dem Strukturparameter {delta} (spontane Deformation) und der Domaenenbeweglichkeit {eta} zuordnen. Die Modifikation von PZT erfolgt durch Substitution isovalenter oder heterovalenter Ionen unter Beruecksichtigung von Ionenradien und -wertigkeit auf A- und B-Plaetzen des Perowskigitters. Die Substitution bestimmter Ionen ist das Verfahren zur Schaffung neuer piezokeramischer Werkstoffe und wird insbesondere zur Einstellung der Werte einzelner Kenngroessen auf einem bestimmten Niveau entsprechend den technischen Anforderungen angewendet. (orig.)

  10. A concept for the development of piezoceramic materials based on lead zirconate titanate (PZT). Part 1; Ein Entwicklungskonzept piezokeramischer Werkstoffe auf der Basis von Gleizirkonattitanat (PZT). Teil 1

    Energy Technology Data Exchange (ETDEWEB)

    Helke, G. [CeramTec AG, Lauf a.d. Pegnitz (Germany)

    2002-07-01

    Piezoceramic ceramics based on Lead Zircontate Titanate (PZT) show - within a relatively close Zr/Ti ratio range (close to the ratio 0.5/0.5) - extreme values for remanent polarization P{sub r} and the dielectric coefficient {epsilon}{sub 33}{sup {tau}}/{epsilon}{sub 0} as well as their corresponding piezoelectric coefficients. Remanent polarization P{sub t} can be directly correlated to the structural parameter {delta} (spontaneous deformation) and the domain mobility {eta}. PZT modification results from the substitution of isovalent or heterovalent ions, thereby taking ion radii and valency at the A and B sites of the perovskite-type lattice under consideration. The substitution of specific ions is the process used to develop new piezoceramic materials which is mainly applied to determine the values of specific parameters corresponding to technical requirements. (orig.) [German] Piezoelektrische Keramiken auf der Basis von Bleizirkonattitanat (PZT) weisen in einem relativ engen Bereich des Zr/Ti-Verhaeltnisses (nahe dem Verhaeltnis 0,5/0,5). Extremwerte der remanenten Polarisation P{sub r} und der Dielektrizitaetskonstanten {epsilon}{sub 33}{sup {tau}}/{epsilon}{sub 0} sowie der von ihnen abhaengigen piezoelektrischen Kenngroessen auf. Die remanente Polarisation P{sub r} laesst sich unmittelbar dem Strukturparameter {delta} (spontane Deformation) und der Domaenenbeweglichkeit {eta} zuordnen. Die Modifikation von PZT erfolgt durch Substitution isovalenter oder heterovalenter Ionen unter Beruecksichtigung von Ionenradien und -wertigkeit auf A- und B-Plaetzen des Perowskigitters. Die Substitution bestimmter Ionen ist das Verfahren zur Schaffung neuer piezokeramischer Werkstoffe und wird insbesondere zur Einstellung der Werte einzelner Kenngroessen auf einem bestimmten Niveau entsprechend den technischen Anforderungen angewendet. (orig.)

  11. Opportunities for co-fermentation of residual products at sewage treatment plant; Moeglichkeiten der Co-Vergaerung von Reststoffen auf Klaeranlagen

    Energy Technology Data Exchange (ETDEWEB)

    Wolter, C.; Rolin, P. [Weber-Ingenieure (Germany); Grothkopp, H. [Linde-KCA-Dresden GmbH (Germany)

    1999-07-01

    At the Radeberg sewage treatment plant of the local administration union (AZV) 'Obere Roeder', the first entirely joint co-fermentation facility for sewage sludge, organic waste and organic trade waste to have been erected in all Germany went operative. Expected turnover rates and gas yields of the fermentation plant could be attained subject to the concentrations of materials processed during the start-up phase. The advantages of co-fermentation at sewage treatment plant lie in the perfect matching of sewage treatment and sludge digestion on the one hand with organic waste fermentation on the other hand, so that the respective advantages complement each other while the disadvantages are balanced out by the combination. In terms of environmentally compatible, sustainable processing of organic waste and production residues, co-fermentation at sewage treatment plant represents a convenient and economical solution. (orig.) [German] Auf der Klaeranlage des AZV 'Obere Roeder' in Radeberg ist zum ersten Mal in Deutschland eine vollstaendig gemeinsame Covergaerung von Klaerschlamm, Bioabfaellen und gewerblichen organischen Reststoffen in Betrieb gegangen. Erwartete Umsatzleistungen und Gasausbeuten der Vergaerungsanlage konnten entsprechend der erzielten Stoffkonzentrationen in der Inbetriebnahmephase erreicht werden. Die Vorteile der Covergaerung auf Klaeranlagen liegen in der perfekten Abstimmung zwischen Klaeranlage und Klaerschlammfaulung einerseits und der Vergaerung von Bioabfaellen andererseits, so dass sich die Vorteile der jeweiligen Verfahren ergaenzen, bzw. sich die Nachteile durch die Kombination beider Verfahren aufheben. Im Hinblick auf oekologische, nachhaltige Verwertung organischer Abfaelle und Produktionsreststoffe bietet die Covergaerung auf Klaeranlagen eine sinnvolle, sich auch wirtschaftlich rechnende Loesung. (orig.)

  12. InGeo-IC: Metadateninformationssystem für Geodaten im WWW: Vortrag gehalten auf den 2. IuK-Tagen Mecklenburg-Vorpommern 1999, Rostock

    OpenAIRE

    Jasnoch, U.; Göbel, S.; Balfanz, D.

    1999-01-01

    Das InGeoForum versteht sich als Informations- und Kooperationsforum zwischen Geodatenanbietern und Geodatennutzern. Das grundlegende Ziel des InGeoForum besteht darin, basierend auf dem derzeitigen Geodatenmarkt, den Aufbau einer "Nationalen Infrastruktur für Geodaten" zu forcieren. Als zentrale Dienstleistung bietet das InGeoForum ein sogenanntes Information Center (InGeo-IC) an, in dem einerseits Datenanbieter ihr Datensortiment vermarkten können, andererseits Anwender (z.B. GIS - Dienstle...

  13. Einfluss physiologischer Faktoren auf die Gehstrecke und prognostische Aussagekraft des 6 Minuten Gehtestes bei Patienten mit dilatativer Kardiomyopathie und ihren Angehörigen

    OpenAIRE

    Temath, Christoph

    2013-01-01

    Ein Vergleich biometrischer Faktoren wie Alter, Geschlecht, BMI, Ejektionsfraktion, SF und linksventrikulärer enddistolischer Durchmesser, sowie dem NYHA Stadium bei Patienten mit dilatativer Kardiomyopathie und gesunden Probanden auf die während des 6-Minuten-Gehtest gelaufene Distanz ergab, dass Frauen mit dilatativer Kardiomyopathie eine kürzere Gehstrecke zurücklegen als Männer gleichen Alters und gleicher Erkrankung. Zudem la...

  14. Dokumentation der Diskussionsbeiträge auf dem Workshop des DIW Berlin zum Thema "Riester-Rente - Grundlegende Reform dringend geboten!?": [Online-Artikel

    OpenAIRE

    Kornelia Hagen

    2012-01-01

    Dokumentiert wird der Austausch über das Riester-Sparen, der auf dem Workshop des DIW Berlin stattfand. Teilnehmer dieser Veranstaltung waren Wissenschaftler sowie Vertreter aus Wirtschaft und Politik. Die Gespräche fanden entlang von Vorträgen statt. Kontrovers diskutiert wurde über die Förderung, über Auswirkungen der Freiwilligkeit und eines Obligatoriums der privaten Altersvorsorge, über die Akzeptanz des Riester-Sparens unter Geringverdienern, die Transparenz, Kalkulation und Rendite der...

  15. »Meine Tochter […] soll alles lernen, was die weissen Mädchen lernen…«. »Schwarze« Perspektiven auf Deutschland um 1900

    Directory of Open Access Journals (Sweden)

    Josch Lampe

    2015-11-01

    Full Text Available Der Artikel untersucht zwei gegensätzliche »schwarze« Perspektiven auf Deutschland um 1900. Ein Vergleich zwischen dem aus dem ehemaligen Deutsch-Südwestafrika stammenden Friedrich Maharero und dem Togolesen Nayo Bruce zeigt, inwiefern zwei unterschiedliche Standpunkte im kolonialen Kontext nicht nur die Umkehrperspektiven kolonialer Strukturen verdeutlichen, sondern in ihrer Verschiedenheit auch die Komplexität der Thematik darlegen.

  16. Hegemoniale Männlichkeit auf dem historischen Prüfstand Hegemonic Masculinity on the Historical Test Bed

    Directory of Open Access Journals (Sweden)

    Angela Berlis

    2006-07-01

    Full Text Available Das Konzept der „hegemonialen Männlichkeit“ des australischen Soziologen Robert William Connell hat seit Mitte der achtziger Jahre zunächst im englischsprachigen Raum und – mit Erscheinen seines Hauptwerkes Der gemachte Mann. Konstruktion und Krise von Männlichkeiten (1999 in deutscher Übersetzung – ab Ende der neunziger Jahre auch im deutschen Sprachraum erheblichen Einfluss auf die entstehende Männerforschung ausgeübt. Im vorliegenden Buch wird die „konkrete heuristische Verwertbarkeit“ (S. 22 von Connells Konzept für die historische Forschung und die historisch unterschiedlichen Ausprägungen von Männlichkeit untersucht. Der Sammelband ist als interdisziplinärer Beitrag zur Männlichkeitsforschung konzipiert und enthält insgesamt zwölf geschichts-, literatur- und kulturwissenschaftliche Beiträge sowie einen soziologischen Beitrag. Das Ziel, zur begrifflichen Präzisierung innerhalb der Männer- und Geschlechterforschung beizutragen und das Connellsche Konzept auf seine Brauchbarkeit für die historische Forschung auszuloten, wird in vielen Beiträgen des lesenswerten Sammelbandes verwirklicht.Australian sociologist Robert William Connell’s concept of “hegemonic masculinity” has had considerable influence since the mid-eighties on the emerging body of men’s research, first in English-speaking world and then, following the publication of his central text Masculinities in German translation in 1999, also in the German speaking world. The volume at hand probes the “concrete heuristic utility” of Connell’s concept for historical research and examines the historically different developments of masculinities (22. The collected volume is conceived as an interdisciplinary contribution to masculinity research and contains twelve articles combining perspectives from history, literature, and cultural studies as well as one sociological contribution. The goal of this interesting collected volume is to help make the

  17. Monitoring effects of river restoration on groundwater with radon; Ueberwachung der Auswirkungen von Flussaufweitungen auf das Grundwasser mittels Radon

    Energy Technology Data Exchange (ETDEWEB)

    Hoehn, Eduard [Eawag, Eidgenoessische Anstalt fuer Wasserversorgung, Abwasserreinigung und Gewaesserschutz, Duebendorf (Switzerland)

    2007-03-15

    ersten Hochwasser bewirkten die Renaturierungsmassnahmen eine Aufweitung des Ufers und eine Verringerung der Fliessdistanz des infiltrierenden Wassers zu den Rohren. Im Vergleich mit Radonmessungen vor diesen Massnahmen, resultierten Messungen, die 16 Tage nach einem zweiten Hochwasser durchgefuehrt wurden, in einer Verringerung der Radon-Grundwasseralter auf dieser Strecke, dies als Folge der Verringerung der Fliessdistanzen. Die Zahlen von autochthonen und coliformen Bakterien stiegen bereits bei einer Messung nach der Befreiung des Ufers und dann besonders bei einer Messung einen Tag nach dem ersten Hochwasser. Damit stuetzen diese Befunde die Interpretation der Radonmessungen. Auf die Trinkwasserqualitaet wirkte sich die Flussaufweitung hingegen bislang nicht aus. Solche Untersuchungen leisten einen Beitrag zur Loesung des raumwirksamen Nutzungskonflikts zwischen Flussrenaturierung und Grundwassernutzung als Trinkwasser. (orig.)

  18. Study on the Effects of Oligo chitosan and Bioliquifert on Two Rice Mutants, NMR 151 and NMR 152

    International Nuclear Information System (INIS)

    Shakinah Salleh; Faiz Ahmad; Sobri Hussein

    2016-01-01

    Nuclear Malaysia has successfully developed two new rice mutants namely NMR 151 and NMR 152. In addition, Nuclear Malaysia has also successfully developed Oligo chitosan and liquid bio fertilizer (Bioliquifert). Oligo chitosan acts as elicitor that has been proven to be very effective in controlling disease infections and improving yield productivity. Bioliquifert on the other hand is a mixture of microbes containing major nutrient-providing microorganisms. The objective of this study is to observe the effects of Oligo chitosan and Bioliquifert on rice mutants, NMR 151 and NMR 152. The treatment was applied on 14 day old seedlings of MR 219, NMR 151 and NMR 152 sowed in 20 cm pots containing silty clay from the paddy soil of Tanjung Karang, Selangor. The seedlings were then placed in the greenhouse at Nuclear Malaysia until it reaches 110 days old. Study was conducted in a Complete Randomized Design (CRD) with 3 replications was used and each replication consisted of three plants. All treatments received compound and single dressing fertilizer as recommended by National Rice Production Package except for Treatment 2 and 3, in which Treatment 2 received Oligo chitosan and Bioliquifert while Treatment 3 only received Bioliquifert. Results on plant height, number of tiller and plant fresh weight are not significantly different for all cultivar except for seed dry weight of NMR 152 and MR 219. (author)

  19. About the effect of melted zinc mass additives on the formation on layers during hot galvanizing; Zur Wirkung von Zusaetzen zur Zinkschmelze auf die Schichtbildung beim Feuerverzinken

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, P.; Schulz, W.D. [Institut fuer Korrosionsschutz Dresden GmbH, Gostritzer Str. 61-63, D-01217 Dresden (Germany)

    2002-09-01

    The influence of various melted zinc mass additives on the galvanizing behaviour of steels is examined by way of comparison. The mechanisms influencing the formation of layers are very different. In case tin is added, a material barrier of enriched tin develops in the zinc coating, which inhibits the iron transport. The mechanisms of Ni, Ti and Al in the melted zinc mass are explained by means of a new theory on the formation of layers, which is based on the influence of the growth of layers via hydrogen escaping from the steel surface during hot galvanizing. This behaviour makes it clear why the single melted mass additives only have a layer-thickness reducing effect on steels with very definite Si contents. The different inhibitions of the growth of the layer during hot galvanizing are discussed. (Abstract Copyright[2002], Wiley Periodicals, Inc.) [German] Der Einfluss unterschiedlicher Zinkschmelzezusaetze auf das Verzinkungsverhalten der Staehle wird vergleichend untersucht. Die Mechanismen der Einflussnahme auf die Schichtbildung sind sehr unterschiedlich. Bei Zusatz von Zinn entsteht im Zinkueberzug eine Materialbarriere aus angereichertem Zinn, die den Eisentransport hemmt. Die Wirkungsweise von Ni, Ti und Al in der Zinkschmelze wird mit Hilfe einer neuen Theorie der Schichtbildung erklaert. Diese beruht auf der Beeinflussung des Schichtwachstums durch Wasserstoff, der waehrend des Feuerverzinkens aus der Stahloberflaeche austritt. Diese Erklaerung macht verstaendlich, warum die einzelnen Schmelzezusaetze nur bei Staehlen mit ganz bestimmten Si-Gehalten schichtdickenreduzierend wirken. Die unterschiedlichen Hemmungen des Schichtwachstums beim Feuerverzinken werden diskutiert. (Abstract Copyright[2002], Wiley Periodicals, Inc.)

  20. Force field refinement from NMR scalar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Huang Jing [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland); Meuwly, Markus, E-mail: m.meuwly@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)

    2012-03-02

    Graphical abstract: We show that two classes of H-bonds are sufficient to quantitatively describe scalar NMR coupling constants in small proteins. Highlights: Black-Right-Pointing-Pointer We present force field refinements based on explicit MD simulations using scalar couplings across hydrogen bonds. Black-Right-Pointing-Pointer This leads to {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.03 Hz at best compared to experiment. Black-Right-Pointing-Pointer A classification of H-bonds according to secondary structure is not sufficiently robust. Black-Right-Pointing-Pointer Grouping H-bonds into two classes and reparametrization yields an RMSD of 0.07 Hz. Black-Right-Pointing-Pointer This is an improvement of 50. - Abstract: NMR observables contain valuable information about the protein dynamics sampling a high-dimensional potential energy surface. Depending on the observable, the dynamics is sensitive to different time-windows. Scalar coupling constants {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} reflect the pico- to nanosecond motions associated with the intermolecular hydrogen bond network. Including an explicit H-bond in the molecular mechanics with proton transfer (MMPT) potential allows us to reproduce experimentally determined {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.02 Hz at best for ubiquitin and protein G. This is based on taking account of the chemically changing environment by grouping the H-bonds into up to seven classes. However, grouping them into two classes already reduces the RMSD between computed and observed {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings by almost 50%. Thus, using ensemble-averaged data with two classes of H-bonds leads to substantially improved scalar couplings from simulations with accurate force fields.

  1. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B., E-mail: taye.b.demissie@uit.no; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø (Norway); Jaszuński, Michał [Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01 224 Warszawa (Poland)

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  2. 13C-NMR of diterpenes with pimarane skeleton

    International Nuclear Information System (INIS)

    Garcez, W.S.; Pereira, A.L.; Silva Queiroz, P.P. da; Silva, R.S. da; Valente, L.M.M.; Peixoto, E.M.; Cunha Pinto, A. da

    1981-01-01

    The effect of substituent groups on the chemical shift of carbons using nuclear magnetic resonance spectra of carbon 13 ( 13 C-NMR) is discussed. Diterpenes having pimarane skeleton, isolated from plants of Velloziaceae family are analysed. (ARHC) [pt

  3. Isotope labeling strategies for NMR studies of RNA

    International Nuclear Information System (INIS)

    Lu, Kun; Miyazaki, Yasuyuki; Summers, Michael F.

    2010-01-01

    The known biological functions of RNA have expanded in recent years and now include gene regulation, maintenance of sub-cellular structure, and catalysis, in addition to propagation of genetic information. As for proteins, RNA function is tightly correlated with structure. Unlike proteins, structural information for larger, biologically functional RNAs is relatively limited. NMR signal degeneracy, relaxation problems, and a paucity of long-range 1 H- 1 H dipolar contacts have limited the utility of traditional NMR approaches. Selective isotope labeling, including nucleotide-specific and segmental labeling strategies, may provide the best opportunities for obtaining structural information by NMR. Here we review methods that have been developed for preparing and purifying isotopically labeled RNAs, as well as NMR strategies that have been employed for signal assignment and structure determination.

  4. NMR - from basic physics to images of the human body

    International Nuclear Information System (INIS)

    Richards, Rex.

    1985-01-01

    Nuclear magnetic resonance (NMR) is a remarkable phenomenon which involves the exchange of very weak radio frequency radiation between atomic nuclei and a sensitive detecting apparatus. It was originally regarded as a rather esoteric effect of great theoretical interest, but has since proved to have an amazing range of applications over many scientific disciplines, including nuclear physics, solid state physics, all branches of chemistry, biochemistry, physiology and most recently in medical diagnosis. In this Discourse the principles of NMR and trace briefly the history of its applications are examined and illustrated. Headings are: early history; nuclear resonance; relaxation time; the chemical shift; spin-spin coupling (NMR spectra); chemical shifts in biological tissue; NMR imaging; conclusions. (author)

  5. Cell signaling, post-translational protein modifications and NMR spectroscopy

    International Nuclear Information System (INIS)

    Theillet, Francois-Xavier; Smet-Nocca, Caroline; Liokatis, Stamatios; Thongwichian, Rossukon; Kosten, Jonas; Yoon, Mi-Kyung; Kriwacki, Richard W.; Landrieu, Isabelle; Lippens, Guy; Selenko, Philipp

    2012-01-01

    Post-translationally modified proteins make up the majority of the proteome and establish, to a large part, the impressive level of functional diversity in higher, multi-cellular organisms. Most eukaryotic post-translational protein modifications (PTMs) denote reversible, covalent additions of small chemical entities such as phosphate-, acyl-, alkyl- and glycosyl-groups onto selected subsets of modifiable amino acids. In turn, these modifications induce highly specific changes in the chemical environments of individual protein residues, which are readily detected by high-resolution NMR spectroscopy. In the following, we provide a concise compendium of NMR characteristics of the main types of eukaryotic PTMs: serine, threonine, tyrosine and histidine phosphorylation, lysine acetylation, lysine and arginine methylation, and serine, threonine O-glycosylation. We further delineate the previously uncharacterized NMR properties of lysine propionylation, butyrylation, succinylation, malonylation and crotonylation, which, altogether, define an initial reference frame for comprehensive PTM studies by high-resolution NMR spectroscopy.

  6. EPR and NMR detection of transient radicals and reaction products

    International Nuclear Information System (INIS)

    Trifunac, A.D.

    1981-01-01

    Magnetic resonance methods in radiation chemistry are illustrated. The most recent developments in pulsed EPR and NMR studies in pulse radiolysis are outlined with emphasis on the study of transient radicals and their reaction products. 12 figures

  7. Applications of NMR to studies of tissue metabolism

    International Nuclear Information System (INIS)

    Avison, M.J.; Hetherington, H.P.; Shulman, R.G.

    1986-01-01

    From its beginnings as a tool for the elucidation of biochemical pathways and bioenergetic status in unicellular organisms, the field of NMR studie in vivo has grown to encompass not only the study of isolated perfused organs, but also the study of various aspects of the biochemistry, physiology, and pathophysiology of these same organs in the intact animal. In recent years several groups have begun to extend the techniques developed in animals to the study of clinically relevant conditions in humans. A comprehensive review of all areas of NMR studies in vivo would be either unacceptably long or very superficial. For this reason the authors have restricted this review to studies published since 1980, except where an earlier study is particularly relevant to the topic under discussion. Furthermore, they have concentrated on areas that have been extending the scope of NMR in vivo. One specific omission is review of NMR studies of tumors, since a comprehensive review has recently appeared

  8. International NMR-based Environmental Metabolomics Intercomparison Exercise

    Science.gov (United States)

    Several fundamental requirements must be met so that NMR-based metabolomics and the related technique of metabonomics can be formally adopted into environmental monitoring and chemical risk assessment. Here we report an intercomparison exercise which has evaluated the effectivene...

  9. NMR methods for the investigation of structure and transport

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, Edme H. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Mechanische Verfahrenstechnik und Mechanik

    2012-07-01

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

  10. NMR methods for the investigation of structure and transport

    International Nuclear Information System (INIS)

    Hardy, Edme H.

    2012-01-01

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

  11. Structure of Coordination Complexes: The Synergy between NMR ...

    African Journals Online (AJOL)

    NICO

    determined by density functional theory (DFT) methods and the application of the Boltzmann equation, are in ... single crystals suitable for crystallography can be obtained, ...... NMR analysis of bonding in transition metal olefin complexes.

  12. Simultaneous acquisition of three NMR spectra in a single ...

    Indian Academy of Sciences (India)

    Simultaneous acquisition of three NMR spectra in a single experiment ... set, which is based on a combination of different fast data acquisition techniques such as G-matrix ..... The sign and intensity of the CHn resonance depends on the delay.

  13. Applications of high resolution 3H NMR spectroscopy

    International Nuclear Information System (INIS)

    Williams, P.G.

    1987-10-01

    The advantages of tritium as an NMR nucleus are pointed out. Examples of its use are given, including labelled toluene, hydrogenation of β-methylstyrene, and maltose and its binding proteins. 7 refs., 2 figs

  14. Studies on supramolecular gel formation using DOSY NMR

    Czech Academy of Sciences Publication Activity Database

    Nonappa, N.; Šaman, David; Kolehmainen, E.

    2015-01-01

    Roč. 53, č. 4 (2015), s. 256-260 ISSN 0749-1581 Institutional support: RVO:61388963 Keywords : DOSY * VT NMR * gel * diffusion coefficients Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.226, year: 2015

  15. [Rapid analysis of suppositories by quantitative 1H NMR spectroscopy].

    Science.gov (United States)

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

    2012-01-01

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

  16. Determination of moisture in fiber reinforced composites using pulsed NMR

    International Nuclear Information System (INIS)

    Matzkanin, G.A.

    1982-01-01

    Nuclear magnetic resonance (NMR) signals from hydrogen atoms in two organic matrix composite systems subjected to environmental conditioning at 51.6 C (125 F) and 95% relative humidity were examined. The composites were 8 ply, + or - 45 deg laminates fabricated from SP 250 resin/S2 glass fiber and Reliabond 9350 resin/Kevlar 49 fiber. Free induction decay NMR signals from the composite specimens consisted of a large amplitude, fast decaying component associated with hydrogen in rigid polymer molecules and a lower amplitude, slower decaying component associated with hydrogen in the mobile absorbed moisture molecules. The absorbed moisture NMR signals consists of distinct multiple components which were attributed to moisture in various states of molecular binding. Particularly complex free induction decay signals were observed from Kevlar composite as well as from Kevlar fiber. Good correlation was obtained between the NMR signal amplitude and the dry weight moisture percentage for both composite systems. Results of destructive tensile tests were examined

  17. 1H NMR visibility of mammalian glycogen in solution

    International Nuclear Information System (INIS)

    Zang, L.H.; Rothman, D.L.; Shulman, R.G.

    1990-01-01

    High-resolution 1 H NMR spectra of rabbit liver glycogen in 2 H 2 O were obtained at 500 MHz, and several resonances were assigned by comparison with the chemical shifts of α-linked diglucose molecules. The NMR relaxation times T 1 and T 2 of glycogen in 2 H 2 O were determined to be 1.1 and 0.029 s, respectively. The measured natural linewidth of the carbon-1 proton is in excellent agreement with that calculated from T 2 . The visibility measurements made by digesting glycogen and comparing glucose and glycogen signal intensities demonstrate that in spite of the very high molecular weight, all of the proton nuclei in glycogen contribute to the NMR spectrum. The result is not unexpected, since 100% NMR visibility was previously observed from the carbon nuclei of glycogen, due to the rapid intramolecular motions

  18. Artificial intelligence in NMR imaging and image processing

    International Nuclear Information System (INIS)

    Kuhn, M.H.

    1988-01-01

    NMR tomography offers a wealth of information and data acquisition variants. Artificial intelligence is able to efficiently support the selection of measuring parameters and the evaluation of results. (orig.) [de

  19. Structural biology by NMR: structure, dynamics, and interactions.

    Directory of Open Access Journals (Sweden)

    Phineus R L Markwick

    2008-09-01

    Full Text Available The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time-scales from picoseconds to seconds. Nuclear Magnetic Resonance (NMR spectroscopy has emerged as the method of choice for studying both protein structure and dynamics in solution. Typically, NMR experiments are sensitive both to structural features and to dynamics, and hence the measured data contain information on both. Despite major progress in both experimental approaches and computational methods, obtaining a consistent view of structure and dynamics from experimental NMR data remains a challenge. Molecular dynamics simulations have emerged as an indispensable tool in the analysis of NMR data.

  20. (S)Pinning down protein interactions by NMR

    DEFF Research Database (Denmark)

    Teilum, Kaare; Kunze, Micha Ben Achim; Erlendsson, Simon

    2017-01-01

    Protein molecules are highly diverse communication platforms and their interaction repertoire stretches from atoms over small molecules such as sugars and lipids to macromolecules. An important route to understanding molecular communication is to quantitatively describe their interactions...... all types of protein reactions, which can span orders of magnitudes in affinities, reaction rates and lifetimes of states. As the more versatile technique, solution NMR spectroscopy offers a remarkable catalogue of methods that can be successfully applied to the quantitative as well as qualitative...... descriptions of protein interactions. In this review we provide an easy-access approach to NMR for the non-NMR specialist and describe how and when solution state NMR spectroscopy is the method of choice for addressing protein ligand interaction. We describe very briefly the theoretical background...

  1. Quantification of aluminium-27 NMR spectra of high-surface-area oxides

    International Nuclear Information System (INIS)

    Pearson, R.M.; Schramm, C.M.

    1990-01-01

    This paper discusses the quantitation of 27 Al NMR spectra. It is showns that the so called 'invisible' aluminium atoms seen by recent workers are completely consistent with known continuous wave NMR studies of the 27 Al NMR spectra of high surface area aluminium oxides. The use of pulsed NMR techniques further complicate the quantitative measurement of 27 Al NMR spectra, especially when high resolution NMR spectrometers are used for this purpose. Methods are described which allow both the estimation of aluminium not seen by continuous wave techniques and the amounts of the NMR spectra lost in pulsed work. (author). 24 refs.; 6 figs.; 1 tab

  2. NMR and MS Methods for Metabolomics.

    Science.gov (United States)

    Amberg, Alexander; Riefke, Björn; Schlotterbeck, Götz; Ross, Alfred; Senn, Hans; Dieterle, Frank; Keck, Matthias

    2017-01-01

    Metabolomics, also often referred as "metabolic profiling," is the systematic profiling of metabolites in biofluids or tissues of organisms and their temporal changes. In the last decade, metabolomics has become more and more popular in drug development, molecular medicine, and other biotechnology fields, since it profiles directly the phenotype and changes thereof in contrast to other "-omics" technologies. The increasing popularity of metabolomics has been possible only due to the enormous development in the technology and bioinformatics fields. In particular, the analytical technologies supporting metabolomics, i.e., NMR, UPLC-MS, and GC-MS, have evolved into sensitive and highly reproducible platforms allowing the determination of hundreds of metabolites in parallel. This chapter describes the best practices of metabolomics as seen today. All important steps of metabolic profiling in drug development and molecular medicine are described in great detail, starting from sample preparation to determining the measurement details of all analytical platforms, and finally to discussing the corresponding specific steps of data analysis.

  3. NMR and MS methods for metabonomics.

    Science.gov (United States)

    Dieterle, Frank; Riefke, Björn; Schlotterbeck, Götz; Ross, Alfred; Senn, Hans; Amberg, Alexander

    2011-01-01

    Metabonomics, also often referred to as "metabolomics" or "metabolic profiling," is the systematic profiling of metabolites in bio-fluids or tissues of organisms and their temporal changes. In the last decade, metabonomics has become increasingly popular in drug development, molecular medicine, and other biotechnology fields, since it profiles directly the phenotype and changes thereof in contrast to other "-omics" technologies. The increasing popularity of metabonomics has been possible only due to the enormous development in the technology and bioinformatics fields. In particular, the analytical technologies supporting metabonomics, i.e., NMR, LC-MS, UPLC-MS, and GC-MS have evolved into sensitive and highly reproducible platforms allowing the determination of hundreds of metabolites in parallel. This chapter describes the best practices of metabonomics as seen today. All important steps of metabolic profiling in drug development and molecular medicine are described in great detail, starting from sample preparation, to determining the measurement details of all analytical platforms, and finally, to discussing the corresponding specific steps of data analysis.

  4. Quantitative NMR measurements on core samples

    International Nuclear Information System (INIS)

    Olsen, Dan

    1997-01-01

    Within the frame of an EFP-95 project NMR methods for porosity determination in 2D, and for fluid saturation determination in 1D and 2D have been developed. The three methods have been developed and tested on cleaned core samples of chalk from the Danish North Sea. The main restriction for the use of the methods is the inherently short T2 relaxation constants of rock samples. Referring to measurements conducted at 200 MHz, the 2D porosity determination method is applicable to sample material with T2 relaxation constants down to 5 ms. The 1D fluid saturation determination method is applicable to sample material with T2 relaxation constants down to 3 ms, while the 2D fluid saturation determination method is applicable to material with T2 relaxation constants down to 8 ms. In the case of the 2D methods these constraints as a minimum enables work on the majority of chalk samples of Maastrichtian age. The 1D fluid saturation determination method in addition is applicable to at least some chalk samples of Danian and pre-Maastrichtian age. The spatial resolution of the 2D porosity determination method, the 1D fluid saturation methods, and the 2D fluid saturation method is respectively 0.8 mm, 0.8 mm and 2 mm. Reproducibility of pixel values is for all three methods 2%- points. (au)

  5. NMR-CT image and symbol phantoms

    International Nuclear Information System (INIS)

    Hongo, Syozo; Yamaguchi, Hiroshi; Takeshita, Hiroshi

    1990-01-01

    We have developed Japanese phantoms in two procedures. One is described as a mathematical expression. Another is 'symbol phantoms' in 3 dimensional picture-elements, each of which symbolize an organ name. The concept and the algorithm of the symbol phantom enables us to make a phantom for a individual in terms of all his transversal section images. We got 85 transversal section images of head and trunk parts, and those of 40 legs parts by using NMR-CT. We have made the individual phantom for computation of organ doses. The transversal section images were not so clear to identify all organs needed to dose estimation that we had to do hand-editing the shapes of organs with viewing a typical section images: we could not yet make symbol phantom in a automatic editing. Symbols were coded to be visual cords as ASCII characters. After we got the symbol phantom of the first stage, we can edit it easily using a word-processor. Symbol phantom could describe more freely the shape of organs than mathematical phantom. Symbol phantom has several advantages to be an individual phantom, but the only difficult point is how to determine its end-point as a reference man when we apply the method to build the reference man. (author)

  6. Proton NMR relaxation in hydrous melts

    International Nuclear Information System (INIS)

    Braunstein, J.; Bacarella, A.L.; Benjamin, B.M.; Brown, L.L.; Girard, C.

    1976-01-01

    Pulse and continuous wave NMR measurements are reported for protons in hydrous melts of calcium nitrate at temperatures between -4 and 120 0 C. Although measured in different temperature ranges, spin-lattice (T 1 ) and spin-spin (T 2 ) relaxation times appear to be nearly equal to each other and proportional to the self-diffusion coefficients of solute metal cations such as Cd 2+ . At temperatures near 50 0 C, mean Arrhenius coefficients Δ H/sub T 1 / (kcal/mol) are 7.9, 7.3, and 4.8, respectively, for melts containing 2.8, 4.0, and 8.0 moles of water per mole of calcium nitrate, compared to 4.6 kcal/mol for pure water. Temperature dependence of T 1 and T 2 in Ca(NO 3 ) 2 -2.8 H 2 O between -4 and 120 0 C are non-Arrhenius and can be represented by a Fulcher-type equation with a ''zero mobility temperature'' (T 0 ) of 225 0 K, close to the value of T 0 for solute diffusion, electrical conductance and viscosity. Resolution of the relaxation rates into correlation times for intramolecular (rotational) and intermolecular (translational) diffusional motion is discussed in terms of the Bloembergen-Purcell-Pound and more recent models for dipolar relaxation

  7. A multinuclear static NMR study of geopolymerisation

    Energy Technology Data Exchange (ETDEWEB)

    Favier, Aurélie, E-mail: aurelie.favier@epfl.ch [Univ Paris-Est, IFSTTAR, Materials Department, 14-20 bd Newton, F-77447 Marne la Vallée Cedex 2 (France); Habert, Guillaume [Institute for Construction and Infrastructure Management, ETH Zurich, CH-8093 Zurich (Switzerland); Roussel, Nicolas [Univ Paris-Est, IFSTTAR, Materials Department, 14-20 bd Newton, F-77447 Marne la Vallée Cedex 2 (France); D' Espinose de Lacaillerie, Jean-Baptiste [Ecole Supérieure de Physique et de Chimie Indusrtrielles de la Ville de Paris (ESPCI), ParisTech, PSL Research University, Soft Matter Sciences and Engineering Laboratory SIMM, CNRS UMR 7615, 10 rue Vauquelin, F-75005 Paris (France)

    2015-09-15

    Geopolymers are inorganic binders obtained by alkali activation of aluminosilicates. While the structure of geopolymers is now well understood, the details of the geopolymerisation reaction and their impact on the rheology of the paste remain uncertain. In this work, we follow the elastic properties of a paste made with metakaolin and sodium silicate solution. After the first sharp increase of elastic modulus occurring a few hundred of seconds after mixing and related to the heterogeneous formation of an alumina–silicate gel with a molar ratio Si/Al < 4 located at the grains boundaries, we focus on the progressive increase in elastic modulus on a period of few hours during the setting of the geopolymer. In this study, we combine the study of rheological properties of the paste with {sup 23}Na, {sup 27}Al and {sup 29}Si static NMR measurement in order to better understand the origin of this second increase in elastic modulus. Our results show that, after a few hours, Al and Na evolution in the liquid phase are concomitant. This suggests the precipitation of an aluminosilicate phase where Al is in tetrahedral position and Na compensates the charge. Furthermore, Si speciation confirms this result and allows us to identify the precipitation of a product, which has a chemical composition close to the final composition of geopolymer. This study provides strong evidence for a heterogeneous formation of an aluminosilicate glass directly from the first gel and the silicate solution without the need for a reorganisation of Gel 1 into Gel 2.

  8. Gegenwarts-KünstlerInnen reagieren auf Religion: Eine Horizonterweiterung für religiöse Bildung

    Directory of Open Access Journals (Sweden)

    Viera Pirker

    2017-06-01

    Full Text Available Gegenwartskunst gilt als umfassend säkularisierter Diskurs der Gesellschaft. Künstlerinnen und Künstler wenden sich auch religiösen Themen und Symbolwelten zu, ohne sich jedoch von Verkündigung und Verzweckung vereinnahmen zu lassen. Für das Feld der religiösen Bildung ist es notwendig und lohnend, die Zeichen dieser aktuellen Kunst sensibel wahrzunehmen. Dieser Beitrag analysiert einige aktuelle, hoch divergierende Werke von Christoph Büchel, Danh Vo, Kudzanai Chiurai, Berlinde de Brukhyere, Lawrence Carroll und Winter/Hörbelt, die in unterschiedlichen Ausstellungskontexten gezeigt wurden. Ihnen gemeinsam ist ein Bezug auf religiöse Themenwelten. Von ihnen ausgehend stellen sich Fragen an herrschende religiöse Praktiken und theologische Deutungen. Contemporary artists react on religion: how does this affect religious education? Contemporary art is a broadly secularized discourse within today’s society. However, artists refer to religious topics, signs and symbols, whereas they always carefully avoid to be instrumentalised for religious proclamation. The field of religious education and formation is well advised to decrypt these signs of art sensitively. This article shows analyses of several recently shown pieces of contemporary art which have in common different relations to religious topics (Christoph Büchel, Danh Vo, Kudzanai Chiurai, Berlinde de Brukhyere, Lawrence Carroll, Winter/Hörbelt. They all allow posing questions about dominant religious practices and theological constructions.

  9. Contrast media in renal insufficiency - risk and prevention; Auswirkungen einer intravasalen Roentgenkontrastmittelgabe auf die Nierenfunktion - Risiken und Praevention

    Energy Technology Data Exchange (ETDEWEB)

    Erley, C.M.; Bader, B.D. [Tuebingen Univ. (Germany). Abt. fuer Innere Medizin III

    2000-10-01

    The use of iodinated contrast media (CM) continues to be a common cause of hospital-acquired acute renal failure (ARF) and its development increases the in-hospital mortality significantly. Alterations in renal hemodynamics and direct tubular toxicity by contrast media are the primary factors believed to be responsible for contrast media-associated nephrotoxicity. We review recent insights into the pathogenesis of this complication and summarize prophylacttic strategies focussing on hydration, vasoactive pharmacological agents, alternative contrast media and 'prophylactic hemodialysis'. (orig.) [German] Das durch Roentgenkontrastmittelgabe initiierte Nierenversagen, die sogenannte Kontrastmittelnephropathie (KMN), stellt - insbesondere bei Patienten mit eingeschraekuter Nierenfunktion - nach wie vor ein erhebliches medizinisches Problem dar, dessen Auftreten mit einer deutlich erhoehten Krankenhausmortalitaet verbunden ist. Die Genese der KMN ist nach wie vor nicht eindeutig geklaert. Neben haemodynamischen Veraenderungen durch die Kontrastmittel spielen tubulotoxische Schaeden eine Rolle. Die vorliegende Uebersicht beschreibt die zur Zeit bekannten pathophysiologischen Vorgaenge bei der KMN und die moeglichen Praeventivmassnahmen mit besonderem Augenmerk auf die klinisch relevanten Themen der Hydratation, der prophylaktischen Gabe vasoaktiver Substanzen, den Einsatz alternativer Kontrastmittel und die Entfernung von Roentgenkontrastmitteln (KM) mittels Haemodialyse. (orig.)

  10. Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys

    Science.gov (United States)

    Kangsabanik, Jiban; Chouhan, Rajiv K.; Johnson, D. D.; Alam, Aftab

    2017-09-01

    Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or magnetic annealing temperatures. We calculate the lattice dynamical properties of Au1 -xFex alloys using density functional theory methods where, being multisite properties, reliable interatomic force constant (IFC) calculations in disordered alloys remain a challenge. We follow a twofold approach: (1) an accurate IFC calculation in an environment with nominally zero chemical pair correlations to mimic the homogeneously disordered alloy and (2) a configurational averaging for the desired phonon properties (e.g., dispersion, density of states, and entropy). We find an anomalous change in the IFC's and phonon dispersion (split bands) near x =0.19 , which is attributed to the local stiffening of the Au-Au bonds when Au is in the vicinity of Fe. Other results based on mechanical and thermophysical properties reflect a similar anomaly: Phonon entropy, e.g., becomes negative below x =0.19 , suggesting a tendency for chemical unmixing, reflecting the onset of a miscibility gap in the phase diagram. Our results match fairly well with reported data wherever available.

  11. Material-stream-specific waste treatment with particular regard to thermal processes; Stoffstromspezifische Abfallbehandlung im Hinblick auf thermische Verfahren. Fachseminar

    Energy Technology Data Exchange (ETDEWEB)

    1998-09-01

    The experts` seminar on ``Material-stream-specific waste treatment with particular regard to thermal processes`` is the third event of its kind to be held by the Zentrum fuer Abfallforschung (ZAF=Centre for Waste Research). The purpose of the seminar is to de-emotionalise the debate going on between environment-oriented citizens, authorities, scientists, operators, and manufacturers and to find solutions that are acceptable in terms of costs as well as environmental impact. The seminar deals with traditional methods such as grate firing as well as with new methods such as low-temperature carbonisation, thermoselect, Noell-KRC, or RCP processes. [Deutsch] Das Fachseminar `Stoffstromspezifische Abfallbehandlung im Hinblick auf thermische Verfahren` ist die 13. Veranstaltung dieser Art, die durch das Zentrum fuer Abfallforschung (ZAF) durchgefuehrt wird. Das Seminar soll dazu beitragen, die Diskussion zwischen umweltbewuessten Bevoelkerungsgruppen, Behoerden, Wissenschaft, Betreibern und Herstellern zu versachlichen und dabei Loesungen zu finden, die hinsichtlich der Kosten und der Umweltbeeintraechtigung vertretbar sind. Es werden sowohl die traditionellen Verfahren wie Rostfeuerung als auch neue Verfahren wie Schwelbrenn-, Thermoselekt-, Noell-KRC- oder RCP-Verfahren behandelt. (orig.)

  12. Size effect in the spin glass magnetization of thin AuFe films as studied by polarized neutron reflectometry.

    Science.gov (United States)

    Saoudi, M; Fritzsche, H; Nieuwenhuys, G J; Hesselberth, M B S

    2008-02-08

    We used polarized neutron reflectometry to determine the temperature dependence of the magnetization of thin AuFe films with 3% Fe concentration. We performed the measurements in a large magnetic field of 6 T in a temperature range from 295 to 2 K. For the films in the thickness range from 500 to 20 nm we observed a Brillouin-type behavior from 295 K down to 50 K and a constant magnetization of about 0.9 micro(B) per Fe atom below 30 K. However, for the 10 nm thick film we observed a Brillouin-type behavior down to 20 K and a constant magnetization of about 1.3 micro(B) per Fe atom below 20 K. These experiments are the first to show a finite-size effect in the magnetization of single spin-glass films in large magnetic fields. Furthermore, the ability to measure the deviation from the paramagnetic behavior enables us to prove the existence of the spin-glass state where other methods relying on a cusp-type behavior fail.

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

    Energy Technology Data Exchange (ETDEWEB)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions which are needed for formation evaluation by NMR well logging. NMR well logging is finding wide use in formation evaluation. The formation parameters commonly estimated were porosity, permeability, and capillary bound water. Special cases include estimation of oil viscosity, residual oil saturation, location of oil/water contact, and interpretation on whether the hydrocarbon is oil or gas.

  14. Chemical shifts of oxygen-17 NMR in polyoxotungstates

    International Nuclear Information System (INIS)

    Kazanskij, L.P.; Fedotov, M.A.; Spitsyn, V.I.

    1977-01-01

    17 O NMR spectra of aqueous solutions containing paratungstate BH 2 W 12 O 42 10- and metatungstate H 2 W 12 O 40 6- anions have been measured. On the basis of the obtained data a scale of chemical shifts for oxygen atoms connected by various bonds with tungsten atoms is suggested. The obtained data are compared with the Raman spectra of crystalline salts and their aqueous solutions. Chemical shifts of 17 O NMR spectra have been also measured in other heteropolyanions

  15. Flow units from integrated WFT and NMR data

    Energy Technology Data Exchange (ETDEWEB)

    Kasap, E.; Altunbay, M.; Georgi, D.

    1997-08-01

    Reliable and continuous permeability profiles are vital as both hard and soft data required for delineating reservoir architecture. They can improve the vertical resolution of seismic data, well-to-well stratigraphic correlations, and kriging between the well locations. In conditional simulations, permeability profiles are imposed as the conditioning data. Variograms, covariance functions and other geostatistical indicators are more reliable when based on good quality permeability data. Nuclear Magnetic Resonance (NMR) logging and Wireline Formation Tests (WFT) separately generate a wealth of information, and their synthesis extends the value of this information further by providing continuous and accurate permeability profiles without increasing the cost. NMR and WFT data present a unique combination because WFTs provide discrete, in situ permeability based on fluid-flow, whilst NMR responds to the fluids in the pore space and yields effective porosity, pore-size distribution, bound and moveable fluid saturations, and permeability. The NMR permeability is derived from the T{sub 2}-distribution data. Several equations have been proposed to transform T{sub 2} data to permeability. Regardless of the transform model used, the NMR-derived permeabilities depend on interpretation parameters that may be rock specific. The objective of this study is to integrate WFT permeabilities with NMR-derived, T{sub 2} distribution-based permeabilities and thereby arrive at core quality, continuously measured permeability profiles. We outlined the procedures to integrate NMR and WFT data and applied the procedure to a field case. Finally, this study advocates the use of hydraulic unit concepts to extend the WFT-NMR derived, core quality permeabilities to uncored intervals or uncored wells.

  16. Modeling Ne-21 NMR parameters for carbon nanosystems

    Czech Academy of Sciences Publication Activity Database

    Kupka, T.; Nieradka, M.; Kaminský, Jakub; Stobinski, L.

    2013-01-01

    Roč. 51, č. 10 (2013), s. 676-681 ISSN 0749-1581 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : Ne-21 NMR * GIAO NMR * molecular modeling * carbon nanostructures Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.559, year: 2013

  17. Solid-state NMR studies of nucleic acid components

    Czech Academy of Sciences Publication Activity Database

    Dračínský, Martin; Hodgkinson, P.

    2015-01-01

    Roč. 5, č. 16 (2015), s. 12300-12310 ISSN 2046-2069 R&D Projects: GA ČR GA13-24880S Institutional support: RVO:61388963 Keywords : NMR spectroscopy * nucleic acid s * solid-state NMR Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.289, year: 2015 http://pubs.rsc.org/en/content/articlepdf/2015/ra/c4ra14404j

  18. Fast mapping of global protein folding states by multivariate NMR:

    DEFF Research Database (Denmark)

    Malmendal, Anders; Underhaug, Jarl; Otzen, Daniel

    2010-01-01

    To obtain insight into the functions of proteins and their specific roles, it is important to establish efficient procedures for exploring the states that encapsulate their conformational space. Global Protein folding State mapping by multivariate NMR (GPS NMR) is a powerful high-throughput method......-lactalbumin in the presence of the anionic surfactant sodium dodecyl sulfate, SDS, and compare these with other surfactants, acid, denaturants and heat....

  19. Lassen Veränderungen des Prostata-spezifischen Antigen- (PSA- Spiegels nach Prostatastanzbiopsie Rückschlüsse auf das pathologische Ergebnis zu?

    Directory of Open Access Journals (Sweden)

    Volkmer BG

    2004-01-01

    Full Text Available Einleitung: Die diagnostische Biopsie der Prostata führt bekanntermaßen zum Anstieg des Serum-PSA-Spiegels. Diese prospektive Untersuchung sollte die Frage klären, ob die Änderungen des Serum-PSA-Spiegels nach Stanzbiopsie Rückschlüsse auf das histologische Ergebnis zulassen und so als Entscheidungshilfe bei der Frage der Rebiopsie dienen können. Patienten und Methoden: Insgesamt 79 konsekutive Patienten mit klinischem Verdacht auf das Vorliegen eines Prostatakarzinoms (PCA und einem Gesamt-PSA 50 ng/ml wurden in die Studie eingeschlossen. Ausschlußkriterien waren klinische Hinweise für eine Prostatitis und Prostatabiopsie innerhalb der letzten 3 Monate. Die Serum-PSA-Werte wurden mit einem ultrasensitiven Enzymimmunoassay bestimmt. Die Bestimmung des Gesamt-PSA und des freien PSA im Serum erfolgte unmittelbar vor und 60 Minuten nach der Biopsie. Die Spiegel des Gesamt-PSA und freien PSA, sowie die f/t-PSA-Ratio vor und nach Biopsie wurden in Korrelation zum histologischen Ergebnis gesetzt. Ergebnisse: 86 Biopsieserien wurden bei 79 Patienten durchgeführt. 38 Biopsieserien diagnostizierten ein PCA, 48 eine benigne Prostatahyperplasie (BPH. Die abschließende Histologie nach wiederholter Biopsie war PCA und BPH in je 43 Fällen. Insgesamt fand sich ein Anstieg des durchschnittlichen Gesamt-PSA von 18,39 ng/ml auf 107,8 ng/ml, des durchschnittlichen freien PSA von 3,43 ng/ml auf 33,7 ng/ml und der durchschnittlichen f/t PSA-Ratio von 18,1 % auf 52,0 %. Es fand sich keine Korrelation zwischen dem Anstieg dieser Parameter und der Anzahl der Biopsiezylinder (4–51. Bezüglich des histologischen Befundes ergaben sich statistisch signifikante Unterschiede für das Gesamt-PSA vor und die f/t PSA-Ratio vor und nach Stanzbiopsie. Schlußfolgerung: Die Analyse der PSA-Parameter nach Stanzbiopsie bietet keine zusätzliche Information über die konventionellen PSA-Parameter vor der Biopsie hinaus. Sie korrelieren vor allem nicht mit falsch

  20. (Kein Grund zur Homosexualität: Ein Plädoyer zum Verzicht auf psychogenetische Erklärungsversuche von homosexuellen, heterosexuellen und anderen Orientierungen

    Directory of Open Access Journals (Sweden)

    Ralf Binswanger

    2016-07-01

    Full Text Available Fritz Morgenthaler steht mit seinem Konzept der «Weichenstellungen » auf dem Boden von Freuds Postulat, wonach homosexuelle und heterosexuelle Orientierungen gleich erklärungsbedürftig sind. Allerdings können die «Weichenstellungen» weniger Hetero- oder Homosexualität per se erklären, sondern eher die verschiedenen Formen von Homo- und Heterosexualität in actu, wie sie in Fantasie und Verhalten gelebt werden. Mit Sexualität per se und Sexualität in actu sind zwei qualitativ verschiedene Gesichtspunkte benannt, unter denen Diskurse über manifeste und organisierte Sexualität sowie Perversionen mit Vorteil geführt werden. Dabei wird der Perversionsbegriff ausschliesslich der Sexualität in actu zugeordnet, welche als dialektische Einheit von sexuellen und nicht-sexuellen Funktionen aufgefasst wird. Pervers ist sexuelle Aktivität dann, wenn innerhalb dieser Einheit eine nicht-sexuelle Funktion die Priorität über die Triebbefriedigung hat. Sexualität per se bezeichnet Homosexualität, Heterosexualität, Fetischismus, Sadomasochismus, Pädophilie usw. als verschiedene erwachsene Sexualorganisationen – als hierarchische Organisation von Partialtrieben – auf «gleichberechtigter», entpathologisierter Ebene. Nachdem begründet wird, weshalb auch Judith Le Soldat den Grund zur Homosexualität per se anscheinend nicht gefunden hat und alle bisherigen psychogenetischen Herleitungen der verschiedenen erwachsenen Sexualorganisationen dieses Ziel verfehlen, empfiehlt sich ein grundsätzlicher Verzicht auf solche Erklärungsversuche – so wie es für die Heterosexualität per se meistens gehandhabt wird. Dagegen kann auf den u. a. von Robert Stoller verwendeten Begriff imprinting oder Prägung zurückgegriffen werden, welchen die Zürcher Analytiker Harold Lincke und Werner Fessler von jeglichem Biologismusverdacht befreit haben. Zum Schluss wird hervorgehoben, wie sehr Morgenthaler und Le Soldat mit ihrer Suche nach dem Grund zur

  1. Solid state NMR of spin-1/2 nuclei

    International Nuclear Information System (INIS)

    Wind, R.A.

    1991-01-01

    The detection of nuclear magnetic resonance by Bloch et al. and Purcell and co-workers in 1946 has led to the development of one of the most powerful spectroscopic techniques known today. The reason is that, besides the applied external magnetic field, a nuclear spin also experiences extra local magnetic fields, which are due to surrounding electron clouds (the chemical shift) and other spins. These local fields differ for nuclei located at chemically different positions in a molecule. The result is that an NMR spectrum often consists of several lines, which can be considered to be a fingerprint of the material under investigation an can assist the clarifying its molecular structure. NMR has been especially successful in liquids and liquid like materials, where fast molecular tumblings average out the anisotropies in the local fields, resulting in well-resolved NMR spectra. This paper reports that initially the development of solid-state NMR was less dramatic. Originally, for reasons of sensitivity, attention was focused mainly on 1 H NMR. The result is that the NMR spectrum usually consists of single, broad, featureless line, which, except for special cases such as more or less isolated spin pairs or methyl groups, does not provide much information

  2. ECG gated NMR-CT for cardiovascular diseases

    International Nuclear Information System (INIS)

    Nishikawa, J.; Machida, K.; Iio, M.; Yoshimoto, N.; Sugimoto, T.; Kawaguchi, H.; Mano, H.

    1984-01-01

    The authors applied NMR-CT to cardiac study with ECG gated technique to evaluate the left ventricular (LV) function and compared it with cardiovascular nuclear medicine study (NM). The NMR-CT machine has resistive air-core magnet with 0.15 Tesla. The saturation recovery image or inversion recovery image were obtained as 256 x 256 matrix and 15 mm in thickness. The study population was ten patients who were evaluated both by NMR image and by NM performed within one week interval. The heart muscle was able to be visualized without any contrast material nor radioisotopes in inversion recovery images, whereas saturation recovery images failed to separate heart muscle from blood pool. The wall motions of LV in both methods were well correlated except for inferior wall. The values of ejection fraction in NMR image were moderately low, but two modalities showed satisfactory correlation (r=0.85). The region of myocardial infarction was revealed as wall thinning and/or wall motion abnormality. It is still preliminary to draw a conclusion, however, it can be said that in the evaluation of LV function, method by NMR might be of equal value to those of NM. It can be certain that eventually gated NMR-CT will become more effective method for various aspects of cardiovascular evaluation

  3. Protein folding on the ribosome studied using NMR spectroscopy

    Science.gov (United States)

    Waudby, Christopher A.; Launay, Hélène; Cabrita, Lisa D.; Christodoulou, John

    2013-01-01

    NMR spectroscopy is a powerful tool for the investigation of protein folding and misfolding, providing a characterization of molecular structure, dynamics and exchange processes, across a very wide range of timescales and with near atomic resolution. In recent years NMR methods have also been developed to study protein folding as it might occur within the cell, in a de novo manner, by observing the folding of nascent polypeptides in the process of emerging from the ribosome during synthesis. Despite the 2.3 MDa molecular weight of the bacterial 70S ribosome, many nascent polypeptides, and some ribosomal proteins, have sufficient local flexibility that sharp resonances may be observed in solution-state NMR spectra. In providing information on dynamic regions of the structure, NMR spectroscopy is therefore highly complementary to alternative methods such as X-ray crystallography and cryo-electron microscopy, which have successfully characterized the rigid core of the ribosome particle. However, the low working concentrations and limited sample stability associated with ribosome–nascent chain complexes means that such studies still present significant technical challenges to the NMR spectroscopist. This review will discuss the progress that has been made in this area, surveying all NMR studies that have been published to date, and with a particular focus on strategies for improving experimental sensitivity. PMID:24083462

  4. Development of 19F-NMR chemical shift detection of DNA B-Z equilibrium using 19F-NMR.

    Science.gov (United States)

    Nakamura, S; Yang, H; Hirata, C; Kersaudy, F; Fujimoto, K

    2017-06-28

    Various DNA conformational changes are in correlation with biological events. In particular, DNA B-Z equilibrium showed a high correlation with translation and transcription. In this study, we developed a DNA probe containing 5-trifluoromethylcytidine or 5-trifluoromethylthymidine to detect DNA B-Z equilibrium using 19 F-NMR. Its probe enabled the quantitative detection of B-, Z-, and ss-DNA based on 19 F-NMR chemical shift change.

  5. Catalyst surface characterized by high magnetic field NMR; Kojiba NMR ni yoru shokubai hyomen no kansatsu

    Energy Technology Data Exchange (ETDEWEB)

    Sato, S. [Chiba University, Chiba (Japan). Faculty of Engineering

    1997-08-01

    This paper introduces studies performed by the authors on observation of surface of solid catalysts by means of solid NMR measurement using the high-speed MAS technology which uses a high magnetic field device. In the studies, a device with 14.1T (resonant frequency of proton at 600 MHz) was used to conduct CP-MAS NMR measurement on {sup 29}Si to identify bonding of silica carrier in a fixed aluminum chloride catalyst. As a result, it was verified that the surface structure of aluminum chloride species deposited on the silica carrier turns to a structure in which AlCl2 species of a monomeric substance is bonded with a surface hydroxyl group and fixed in four- or five-orientation. When adjusted at low temperatures, an Al2Cl5 structure is formed, which is fixed as a dimeric substance with AlCl3 oriented in the AlCl2 species. It is conceived that the Al2Cl5 species has higher electrophilicity than the AlCl2 species as a result of AlCl3 oriented in AlCl2, whereas the hydroxyl group on the silica surface oriented with the Al2Cl5 species dissociates, discharging protons, thus showing strong acidity. 18 refs., 8 figs., 2 tabs.

  6. Whole-core analysis by 13C NMR

    International Nuclear Information System (INIS)

    Vinegar, H.J.; Tutunjian, P.N.; Edelstein, W.A.; Roemer, P.B.

    1991-01-01

    This paper reports on a whole-core nuclear magnetic resonance (NMR) system that was used to obtain natural abundance 13 C spectra. The system enables rapid, nondestructive measurements of bulk volume of movable oil, aliphatic/aromatic ratio, oil viscosity, and organic vs. carbonate carbon. 13 C NMR can be used in cores where the 1 H NMR spectrum is too broad to resolve oil and water resonances separately. A 5 1/4-in. 13 C/ 1 H NMR coil was installed on a General Electric (GE) CSI-2T NMR imager/spectrometer. With a 4-in.-OD whole core, good 13 C signal/noise ratio (SNR) is obtained within minutes, while 1 H spectra are obtained in seconds. NMR measurements have been made of the 13 C and 1 H density of crude oils with a wide range of API gravities. For light- and medium-gravity oils, the 13 C and 1 H signal per unit volume is constant within about 3.5%. For heavy crudes, the 13 C and 1 H density measured by NMR is reduced by the shortening of spin-spin relaxation time. 13 C and 1 H NMR spin-lattice relaxation times were measured on a suite of Cannon viscosity standards, crude oils (4 to 60 degrees API), and alkanes (C 5 through C 16 ) with viscosities at 77 degrees F ranging from 0.5 cp to 2.5 x 10 7 cp. The 13 C and 1 H relaxation times show a similar correlation with viscosity from which oil viscosity can be estimated accurately for viscosities up to 100 cp. The 13 C surface relaxation rate for oils on water-wet rocks is very low. Nonproton decoupled 13 C NMR is shown to be insensitive to kerogen; thus, 13 C NMR measures only the movable hydrocarbon content of the cores. In carbonates, the 13 C spectrum also contains a carbonate powder pattern useful in quantifying inorganic carbon and distinguishing organic from carbonate carbon

  7. NMR-CT in muscular disorders

    International Nuclear Information System (INIS)

    Matsumura, Kiichiro; Nakano, Imaharu; Fukuda, Nobuo; Ikehira, Hiroo; Tateno, Yukio.

    1987-01-01

    Proton NMR-CT (magnetic field strength 0.1 Tesla, resonant frequency 4.5 MHz) was performed in 10 normal females and 19 Duchenne muscular dystrophy (DMD) carriers. The mean age was 39 ± 12 years for the normal females and 42 ± 6 years for the DMD carriers. In DMD carriers, there were 4 definite, 4 probable, and 11 possible carriers. T 1 (spin-lattice relaxation time) image was obtained for a slice at the buttock, mid-thigh and calf levels respectively. T 1 values were measured for the medial portion of the gluteus maximus, the vastus lateralis of the quadriceps femoris, and the gastrocnemius. The bound water fraction (BWF) was calculated from Fullerton's equation based on the fast proton diffusion model. The following results were obtained: (1) In normal females, muscle T 1 value was highest in the gastrocnemius and lowest in the gluteus maximus. (2) In DMD carriers, T 1 values of the gluteus maximus and quadriceps femoris were significantly higher than those of the normal females. There was, however, no significant difference in T 1 value of the gastrocnemius between DMD carriers and normal females. (3) In DMD carriers, BWFs of the gluteus maximus and quadriceps femoris were significantly lower than those of the normal females. (4) In DMD carriers, no significant correlation was observed between the muscle T 1 values and the serum creatine phosphokinase values. Increased tissue water content in the lower parts of the body due to gravity is considered to be the primary cause of the high T 1 value in the gastrocnemius of normal females. The presence of the degenerating muscle fibers are presumed responsible for the high T 1 value and low BWF in the proximal muscles of DMD carriers. (author)

  8. Accessible surface area from NMR chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Hafsa, Noor E.; Arndt, David; Wishart, David S., E-mail: david.wishart@ualberta.ca [University of Alberta, Department of Computing Science (Canada)

    2015-07-15

    Accessible surface area (ASA) is the surface area of an atom, amino acid or biomolecule that is exposed to solvent. The calculation of a molecule’s ASA requires three-dimensional coordinate data and the use of a “rolling ball” algorithm to both define and calculate the ASA. For polymers such as proteins, the ASA for individual amino acids is closely related to the hydrophobicity of the amino acid as well as its local secondary and tertiary structure. For proteins, ASA is a structural descriptor that can often be as informative as secondary structure. Consequently there has been considerable effort over the past two decades to try to predict ASA from protein sequence data and to use ASA information (derived from chemical modification studies) as a structure constraint. Recently it has become evident that protein chemical shifts are also sensitive to ASA. Given the potential utility of ASA estimates as structural constraints for NMR we decided to explore this relationship further. Using machine learning techniques (specifically a boosted tree regression model) we developed an algorithm called “ShiftASA” that combines chemical-shift and sequence derived features to accurately estimate per-residue fractional ASA values of water-soluble proteins. This method showed a correlation coefficient between predicted and experimental values of 0.79 when evaluated on a set of 65 independent test proteins, which was an 8.2 % improvement over the next best performing (sequence-only) method. On a separate test set of 92 proteins, ShiftASA reported a mean correlation coefficient of 0.82, which was 12.3 % better than the next best performing method. ShiftASA is available as a web server ( http://shiftasa.wishartlab.com http://shiftasa.wishartlab.com ) for submitting input queries for fractional ASA calculation.

  9. NMR-CT in muscular disorders

    International Nuclear Information System (INIS)

    Matsumura, Kiichiro; Nakano, Imaharu; Ikehira, Hiroo; Fukuda, Nobuo; Tateno, Yukio.

    1986-01-01

    Proton NMR-CT (magnetic field strength 0.1 Tesla, resonant frequency 4.5 MHz) was performed in 15 normal (NC) and 20 Duchenne muscular dystrophy (DMD) males. The age ranged from 3 to 47 years for the NC males, and 1 to 14 years for the DMD males. In the DMD group there were one subclinical stage, 4 stage 1, 6 stage 2, 4 stage 3, and 5 stage 5 or higher patients. T 1 (longitudinal relaxation) images were obtained for three slices at the buttock, midthigh, and calf levels. The T 1 values were measured for the medial portion of the gluteus maximus, the vastus lateralis of the quadriceps femoris, the adductors, the sartorius, the gracilis, and the gastrocnemius muscles. Bound water fraction (BWF) was calculated from Fullerton's equation based on the fast diffusion model. The following results were obtained: (1) In the NC group, muscle T 1 values declined gradually with maturation under the age of 10, and became constant beyond that. The average T 1 value was 280 ms for the age group between 3 and 6 years, 270 ms for 7 and 10 years, and 260 ms for those older than 10 years. (2) Muscle BWF increased with maturation in the NC group. (3) In the DMD group, T 1 values were initially higher than normal (300 ms), declined rapidly with the progress of the disease, and reached the same low level as the subcutaneous fat (190 ms). (4) This decrease of T 1 value in DMD was not uniform for all muscles, being most prominent in the gluteus maximus and least so in the sartorius and gracilis. (5) In the early stages of DMD, the BWF was lower than normal. (J.P.N.)

  10. Timing and related artifacts in multidimensional NMR

    International Nuclear Information System (INIS)

    Marion, Dominique

    2012-01-01

    The information content of multidimensional NMR spectra is limited by the presence of several kinds of artifacts that originate from incorrect timing of evolution periods. The objective of this review is to provide tools for successful implementation of published pulse sequences, in which timing and pulse compensations are often implicit. We will analyze the constraints set by the use of Fourier transformation, the spin precession during rectangular or shaped pulses, the Bloch-Siegert effects due to pulse on other spins and the delay introduced by the filters for the acquisition dimension. A frequency dependent phase correction or an incorrect scaling of the first data point leads to baseline offsets or curvature due to the properties of the Fourier transform. Because any r.f. pulse has a finite length, chemical shift is always active during excitation, flip-back, inversion, and refocusing pulses. Rectangular or selective shaped pulses can be split into three periods: an ideal rotation surrounded by two chemical shift evolution periods, which should be subtracted from the adjacent delays to avoid linear phase correction. Bloch-Siegert effects originate from irradiation at frequencies near those observed in the spectrum and can lead to phase or frequency shifts. They can be minimized by simultaneous irradiation on both sides of the observed spins. In terms of timing, the very end of the pulse sequence the acquisition behaves differently since the data are filtered by either analog or digital means. This additional delay is filter and spectrometer specific and should be tuned to minimize the required phase correction. Combined together, all these adjustments lead to perfectly phased spectra with flat baseline and no peak shifts or distortion. (author)

  11. Accurate, fully-automated NMR spectral profiling for metabolomics.

    Directory of Open Access Journals (Sweden)

    Siamak Ravanbakhsh

    Full Text Available Many diseases cause significant changes to the concentrations of small molecules (a.k.a. metabolites that appear in a person's biofluids, which means such diseases can often be readily detected from a person's "metabolic profile"-i.e., the list of concentrations of those metabolites. This information can be extracted from a biofluids Nuclear Magnetic Resonance (NMR spectrum. However, due to its complexity, NMR spectral profiling has remained manual, resulting in slow, expensive and error-prone procedures that have hindered clinical and industrial adoption of metabolomics via NMR. This paper presents a system, BAYESIL, which can quickly, accurately, and autonomously produce a person's metabolic profile. Given a 1D 1H NMR spectrum of a complex biofluid (specifically serum or cerebrospinal fluid, BAYESIL can automatically determine the metabolic profile. This requires first performing several spectral processing steps, then matching the resulting spectrum against a reference compound library, which contains the "signatures" of each relevant metabolite. BAYESIL views spectral matching as an inference problem within a probabilistic graphical model that rapidly approximates the most probable metabolic profile. Our extensive studies on a diverse set of complex mixtures including real biological samples (serum and CSF, defined mixtures and realistic computer generated spectra; involving > 50 compounds, show that BAYESIL can autonomously find the concentration of NMR-detectable metabolites accurately (~ 90% correct identification and ~ 10% quantification error, in less than 5 minutes on a single CPU. These results demonstrate that BAYESIL is the first fully-automatic publicly-accessible system that provides quantitative NMR spectral profiling effectively-with an accuracy on these biofluids that meets or exceeds the performance of trained experts. We anticipate this tool will usher in high-throughput metabolomics and enable a wealth of new applications of

  12. Comparing pharmacophore models derived from crystallography and NMR ensembles

    Science.gov (United States)

    Ghanakota, Phani; Carlson, Heather A.

    2017-11-01

    NMR and X-ray crystallography are the two most widely used methods for determining protein structures. Our previous study examining NMR versus X-Ray sources of protein conformations showed improved performance with NMR structures when used in our Multiple Protein Structures (MPS) method for receptor-based pharmacophores (Damm, Carlson, J Am Chem Soc 129:8225-8235, 2007). However, that work was based on a single test case, HIV-1 protease, because of the rich data available for that system. New data for more systems are available now, which calls for further examination of the effect of different sources of protein conformations. The MPS technique was applied to Growth factor receptor bound protein 2 (Grb2), Src SH2 homology domain (Src-SH2), FK506-binding protein 1A (FKBP12), and Peroxisome proliferator-activated receptor-γ (PPAR-γ). Pharmacophore models from both crystal and NMR ensembles were able to discriminate between high-affinity, low-affinity, and decoy molecules. As we found in our original study, NMR models showed optimal performance when all elements were used. The crystal models had more pharmacophore elements compared to their NMR counterparts. The crystal-based models exhibited optimum performance only when pharmacophore elements were dropped. This supports our assertion that the higher flexibility in NMR ensembles helps focus the models on the most essential interactions with the protein. Our studies suggest that the "extra" pharmacophore elements seen at the periphery in X-ray models arise as a result of decreased protein flexibility and make very little contribution to model performance.

  13. Can NMR solve some significant challenges in metabolomics?

    Science.gov (United States)

    Nagana Gowda, G A; Raftery, Daniel

    2015-11-01

    The field of metabolomics continues to witness rapid growth driven by fundamental studies, methods development, and applications in a number of disciplines that include biomedical science, plant and nutrition sciences, drug development, energy and environmental sciences, toxicology, etc. NMR spectroscopy is one of the two most widely used analytical platforms in the metabolomics field, along with mass spectrometry (MS). NMR's excellent reproducibility and quantitative accuracy, its ability to identify structures of unknown metabolites, its capacity to generate metabolite profiles using intact bio-specimens with no need for separation, and its capabilities for tracing metabolic pathways using isotope labeled substrates offer unique strengths for metabolomics applications. However, NMR's limited sensitivity and resolution continue to pose a major challenge and have restricted both the number and the quantitative accuracy of metabolites analyzed by NMR. Further, the analysis of highly complex biological samples has increased the demand for new methods with improved detection, better unknown identification, and more accurate quantitation of larger numbers of metabolites. Recent efforts have contributed significant improvements in these areas, and have thereby enhanced the pool of routinely quantifiable metabolites. Additionally, efforts focused on combining NMR and MS promise opportunities to exploit the combined strength of the two analytical platforms for direct comparison of the metabolite data, unknown identification and reliable biomarker discovery that continue to challenge the metabolomics field. This article presents our perspectives on the emerging trends in NMR-based metabolomics and NMR's continuing role in the field with an emphasis on recent and ongoing research from our laboratory. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. 1H-NMR, 1H-NMR T2-edited, and 2D-NMR in bipolar disorder metabolic profiling.

    Science.gov (United States)

    Sethi, Sumit; Pedrini, Mariana; Rizzo, Lucas B; Zeni-Graiff, Maiara; Mas, Caroline Dal; Cassinelli, Ana Cláudia; Noto, Mariane N; Asevedo, Elson; Cordeiro, Quirino; Pontes, João G M; Brasil, Antonio J M; Lacerda, Acioly; Hayashi, Mirian A F; Poppi, Ronei; Tasic, Ljubica; Brietzke, Elisa

    2017-12-01

    The objective of this study was to identify molecular alterations in the human blood serum related to bipolar disorder, using nuclear magnetic resonance (NMR) spectroscopy and chemometrics. Metabolomic profiling, employing 1 H-NMR, 1 H-NMR T 2 -edited, and 2D-NMR spectroscopy and chemometrics of human blood serum samples from patients with bipolar disorder (n = 26) compared with healthy volunteers (n = 50) was performed. The investigated groups presented distinct metabolic profiles, in which the main differential metabolites found in the serum sample of bipolar disorder patients compared with those from controls were lipids, lipid metabolism-related molecules (choline, myo-inositol), and some amino acids (N-acetyl-L-phenyl alanine, N-acetyl-L-aspartyl-L-glutamic acid, L-glutamine). In addition, amygdalin, α-ketoglutaric acid, and lipoamide, among other compounds, were also present or were significantly altered in the serum of bipolar disorder patients. The data presented herein suggest that some of these metabolites differentially distributed between the groups studied may be directly related to the bipolar disorder pathophysiology. The strategy employed here showed significant potential for exploring pathophysiological features and molecular pathways involved in bipolar disorder. Thus, our findings may contribute to pave the way for future studies aiming at identifying important potential biomarkers for bipolar disorder diagnosis or progression follow-up.

  15. Analyse der pharmazeutischen Versorgungssituation von Patienten mit Psoriasis-Arthritis auf Basis von Routinedaten der Gesetzlichen Krankenversicherung.

    Science.gov (United States)

    Sondermann, Wiebke; Ventzke, Julia; Matusiewicz, David; Körber, Andreas

    2018-03-01

    Die Psoriasis-Arthritis (PsA) gehört zu den chronisch entzündlichen Gelenkerkrankungen. Trotz zahlreicher versorgungswissenschaftlicher Studien in Deutschland liegen zur pharmazeutischen Versorgungssituation von PsA-Patienten bisher kaum aktuelle Ergebnisse vor. Mit Hilfe einer systematischen Literaturrecherche sowie anhand von Routinedaten der Allgemeinen Ortskrankenkasse (AOK) Rheinland/Hamburg wird ein aktueller Überblick über die pharmazeutische Versorgung von PsA-Patienten in Deutschland gegeben. Selektiert wurden Versicherte aus dem ambulanten und stationären Bereich, die im 1. und 2. Quartal des Jahres 2014 die gesicherte Abrechnungsdiagnose Psoriasis-Arthritis L40.5+ aufwiesen. Anschließend wurden auf Basis dieser "vorab definierten" Kohorte die Arzneimitteldaten für 5 Jahre (01.01.2010-31.12.2014) abgerufen. Es konnten insgesamt n  =  3205 Versicherte (45 % männlich, 55 % weiblich) der AOK Rheinland/Hamburg mit einer gesicherten PsA-Diagnose selektiert werden. Das Durchschnittsalter betrug 58,9 Jahre. 53,7 % der PsA-Patienten wurden mit systemischen PsA-relevanten Arzneimitteln versorgt. Nichtsteroidale Antirheumatika (NSAR) wurden am häufigsten verordnet, gefolgt von systemischen Glucocorticoiden. Von den selektierten PsA-Patienten, die eine Systemtherapie erhielten, wurden 72,1 % mittels einer Disease-modifying-antirheumatic-Drug (DMARD)-Monotherapie behandelt, gefolgt von der Kombinationstherapie aus DMARDs und Biologika (20,9 %). Die pharmakologische Therapie der PsA muss eine Gewährleistung zwischen adäquater Versorgung der PsA mit Verhinderung der Krankheitsprogression und ökonomischer Verantwortung darstellen. © 2018 Deutsche Dermatologische Gesellschaft (DDG). Published by John Wiley & Sons Ltd.

  16. Der Einfluss von Alitretinoin auf die Lebensqualität bei Patienten mit schwerem chronischen Handekzem: FUGETTA - Beobachtungsstudie unter Praxisbedingungen.

    Science.gov (United States)

    Augustin, Matthias; Thaçi, Diamant; Kamps, Anja

    2016-12-01

    Alitretinoin ist die einzige zugelassene Behandlung für schweres chronisches Handekzem (CHE), das refraktär gegenüber potenten topischen Corticosteroiden ist. Bei dieser Studie (FUGETTA) wurde die Wirksamkeit von leitliniengerecht angewendetem oralem Alitretinoin sowie dessen Einfluss auf die Lebensqualität (LQ) bei Patienten mit schwerem refraktärem CHE beurteilt. Multizentrische, offene, nichtinterventionelle Beobachtungsstudie, durchgeführt in Deutschland. Die Patienten wurden nach Ermessen ihres behandelnden Arztes mit Alitretinoin 10 mg oder 30 mg einmal täglich über maximal 24 Wochen behandelt. Die Wirksamkeit wurde anhand des Physician Global Assessment (PGA) und des Dermatology Life Quality Index (DLQI) bewertet. Zudem wurden unerwünschte Ereignisse (UE) erfasst. Die Studienpopulation bestand aus 658 Patienten (30 mg: n = 581; 10 mg: n = 77). Bei Beobachtungsbeginn litten die meisten Patienten (83 %) gemäß PGA an einem schweren CHE. Bei Beobachtungsende war das Handekzem bei 48 % der Patienten gemäß PGA vollständig oder fast vollständig abgeheilt (30 mg: 49 %; 10 mg: 43 %). Die mittlere Verbesserung des DLQI-Scores in Woche 24 betrug 58 % (30 mg: mittlere [SD] Veränderung gegenüber dem Ausgangswert -10,4 [8,04]) und 70 % (10 mg: mittlere [SD] Veränderung gegenüber dem Ausgangswert -10,8 [7,29]). Die Gesamtinzidenz von NW war niedrig und in den beiden Gruppen ähnlich. Alitretinoin führte zu einer schnellen, deutlichen Verbesserung der LQ bei Patienten mit schwerem CHE. © 2016 Deutsche Dermatologische Gesellschaft (DDG). Published by John Wiley & Sons Ltd.

  17. Effects of aerodynamic properties on thermomanagement in a motor vehicle; Die Auswirkung aerodynamischer Eigenschaften auf das Thermomanagement eines Kraftfahrzeuges

    Energy Technology Data Exchange (ETDEWEB)

    Dietz, S. [Audi AG, Ingolstadt (Germany)

    1999-07-01

    The effects of aerodynamics on thermomanagement are overproportionally important especially in high-performance or low-consumption vehicles. Thermomanagement includes air flow through the vehicle in the context of cooling and aerodynamics. The contribution presents some examples. To make use of the potential for consumption reduction, aerodynamic experiments and thermomanagement should be integrated already in the very first design stages. New aerodynamic simulation techniques as well as virtual simulation methods will be employed here. [German] Die Verknuepfung von Aerodynamik und Thermomanagement wird vor allem bei Fahrzeugkonzepten mit hoher Leistung oder Fahrzeugen mit geringem Verbrauch ueberproportional wichtig. Ein Teilbereich des Thermomanagement betrifft den mit der Kuehlung und der Aerodynamik verknuepften Bereich der Fahrzeugdurchstroemung. Exemplarisch werden im Beitrag einige Beispiele dieser Verknuepfung dargestellt. Zunaechst der Einfluss der Durchstroemung zur Umstroemung, mit einer Aufgliederung der durch die Durchstroemung verursachten Luftwiderstandseinfluesse. Ausgehend von aktuellen Widerstandsanteilen der Kuehlluft im Cw-Wert, wird zusammen mit der Betrachtung des Waermestromes und einem Simulationsmodell fuer ein Kuehlsystem der minimale Anteil der Kuehlluft im Widerstand ermittelt. Das Verbrauchspotential durch die Optimierung der Verluste in der Durchstroemung und die Optimierung der aerodynamischen Form liegt bei einem Anteil von ca. 50% des Kuehlluftanteiles im Cw-Wert. Umgerechnet auf den Verbrauch (ohne die Aggregate anzupassen) ergibt sich damit fuer den MVEGII-Zyklus ein Potential von ca. 1% Verbrauchseinsparung. Abgeleitetes Ziel muss es deshalb sein, fruehe Entwicklungsphasen begleitend mit Versuchen, die eine realistische Durchstroemung und Aussenumstroemung des Fahrzeuges ermoeglichen, zu entwickeln. Neue Simulationstechniken seitens der Aerodynamik mit Messungen an Fahrzeugen mit drehenden Raedern und bewegtem Unterboden sowie

  18. Quantitative analysis of protein-ligand interactions by NMR.

    Science.gov (United States)

    Furukawa, Ayako; Konuma, Tsuyoshi; Yanaka, Saeko; Sugase, Kenji

    2016-08-01

    Protein-ligand interactions have been commonly studied through static structures of the protein-ligand complex. Recently, however, there has been increasing interest in investigating the dynamics of protein-ligand interactions both for fundamental understanding of the underlying mechanisms and for drug development. NMR is a versatile and powerful tool, especially because it provides site-specific quantitative information. NMR has widely been used to determine the dissociation constant (KD), in particular, for relatively weak interactions. The simplest NMR method is a chemical-shift titration experiment, in which the chemical-shift changes of a protein in response to ligand titration are measured. There are other quantitative NMR methods, but they mostly apply only to interactions in the fast-exchange regime. These methods derive the dissociation constant from population-averaged NMR quantities of the free and bound states of a protein or ligand. In contrast, the recent advent of new relaxation-based experiments, including R2 relaxation dispersion and ZZ-exchange, has enabled us to obtain kinetic information on protein-ligand interactions in the intermediate- and slow-exchange regimes. Based on R2 dispersion or ZZ-exchange, methods that can determine the association rate, kon, dissociation rate, koff, and KD have been developed. In these approaches, R2 dispersion or ZZ-exchange curves are measured for multiple samples with different protein and/or ligand concentration ratios, and the relaxation data are fitted to theoretical kinetic models. It is critical to choose an appropriate kinetic model, such as the two- or three-state exchange model, to derive the correct kinetic information. The R2 dispersion and ZZ-exchange methods are suitable for the analysis of protein-ligand interactions with a micromolar or sub-micromolar dissociation constant but not for very weak interactions, which are typical in very fast exchange. This contrasts with the NMR methods that are used

  19. NMR Characterization of Flavanone Naringenin 7-O-Glycoside Diastereomer

    Directory of Open Access Journals (Sweden)

    SUN Li-juan

    2017-12-01

    Full Text Available To discriminate R and S flavanone glycoside using NMR, the mixture of R and S naringenin 7-O-glycoside was first isolated from Gleditsia sinensis. 1H and 13C NMR data of the mixture were recorded with 1H NMR, 13C NMR, 1H-1H COSY, 1H-13C HSQC and 1H-13C HMBC in DMSO-d6 solution. The two diastereomers were then separated with chiral chromatographic isolation, with their absolute configurations determined by circular dichroism. To avoid the disturbance of protons from glucose residues to dihydroflavonoid, 1H NMR spectra were acquired for pure R and S naringenin 7-O-glycoside and their mixture in CD3CN. The two diastereomers showed the largest proton chemical shift differences at the end group of glucose residue (H-1" with a chemical shift difference of 9.4 Hz. The OH-5 proton showed a chemical shift difference of 5.8 Hz. The chemical shift of the three protons on ring C were all influenced by configuration.

  20. Chirp echo Fourier transform EPR-detected NMR.

    Science.gov (United States)

    Wili, Nino; Jeschke, Gunnar

    2018-04-01

    A new ultra-wide band (UWB) pulse EPR method is introduced for observing all nuclear frequencies of a paramagnetic center in a single shot. It is based on burning spectral holes with a high turning angle (HTA) pulse that excites forbidden transitions and subsequent detection of the hole pattern by a chirp echo. We term this method Chirp Echo Epr SpectroscopY (CHEESY)-detected NMR. The approach is a revival of FT EPR-detected NMR. It yields similar spectra and the same type of information as electron-electron double resonance (ELDOR)-detected NMR, but with a multiplex advantage. We apply CHEESY-detected NMR in Q band to nitroxides and correlate the hyperfine spectrum to the EPR spectrum by varying the frequency of the HTA pulse. Furthermore, a selective π pulse before the HTA pulse allows for detecting hyperfine sublevel correlations between transitions of one nucleus and for elucidating the coupling regime, the same information as revealed by the HYSCORE experiment. This is demonstrated on hexaaquamanganese(II). We expect that CHEESY-detected NMR is generally applicable to disordered systems and that our results further motivate the development of EPR spectrometers capable of coherent UWB excitation and detection, especially at higher fields and frequencies. Copyright © 2018 The Author(s). Published by Elsevier Inc. All rights reserved.

  1. Selected topics in solution-phase biomolecular NMR spectroscopy

    Science.gov (United States)

    Kay, Lewis E.; Frydman, Lucio

    2017-05-01

    Solution bio-NMR spectroscopy continues to enjoy a preeminent role as an important tool in elucidating the structure and dynamics of a range of important biomolecules and in relating these to function. Equally impressive is how NMR continues to 'reinvent' itself through the efforts of many brilliant practitioners who ask increasingly demanding and increasingly biologically relevant questions. The ability to manipulate spin Hamiltonians - almost at will - to dissect the information of interest contributes to the success of the endeavor and ensures that the NMR technology will be well poised to contribute to as yet unknown frontiers in the future. As a tribute to the versatility of solution NMR in biomolecular studies and to the continued rapid advances in the field we present a Virtual Special Issue (VSI) that includes over 40 articles on various aspects of solution-state biomolecular NMR that have been published in the Journal of Magnetic Resonance in the past 7 years. These, in total, help celebrate the achievements of this vibrant field.

  2. Development of a superconducting bulk magnet for NMR and MRI.

    Science.gov (United States)

    Nakamura, Takashi; Tamada, Daiki; Yanagi, Yousuke; Itoh, Yoshitaka; Nemoto, Takahiro; Utumi, Hiroaki; Kose, Katsumi

    2015-10-01

    A superconducting bulk magnet composed of six vertically stacked annular single-domain c-axis-oriented Eu-Ba-Cu-O crystals was energized to 4.74 T using a conventional superconducting magnet for high-resolution NMR spectroscopy. Shim coils, gradient coils, and radio frequency coils for high resolution NMR and MRI were installed in the 23 mm-diameter room-temperature bore of the bulk magnet. A 6.9 ppm peak-to-peak homogeneous region suitable for MRI was achieved in the central cylindrical region (6.2 mm diameter, 9.1 mm length) of the bulk magnet by using a single layer shim coil. A 21 Hz spectral resolution that can be used for high resolution NMR spectroscopy was obtained in the central cylindrical region (1.3 mm diameter, 4 mm length) of the bulk magnet by using a multichannel shim coil. A clear 3D MR image dataset of a chemically fixed mouse fetus with (50 μm)(3) voxel resolution was obtained in 5.5 h. We therefore concluded that the cryogen-free superconducting bulk magnet developed in this study is useful for high-resolution desktop NMR, MRI and mobile NMR device. Copyright © 2015 Elsevier Inc. All rights reserved.

  3. Experimental solid state NMR of gas hydrates : problems and solutions

    Energy Technology Data Exchange (ETDEWEB)

    Moudrakovski, I.; Lu, H.; Ripmeester, J. [National Research Council of Canada, Ottawa, ON (Canada). Steacie Inst. for Molecular Sciences; Kumar, R.; Susilo, R. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Chemical and Biological Engineering; Luzi, M. [GeoForschungsZentrum Potsdam, Potsdam (Germany)

    2008-07-01

    Solid State NMR is a suitable spectroscopic technique for hydrate research for several reasons, including its capability to distinguish between different structural types of hydrates, its quantitative nature and potential for both in-situ and time resolved experiments. This study illustrated the applications of solid state NMR for compositional and structural studies of clathrate hydrates, with particular emphasis on experimental techniques and potential ways to overcome technical difficulties. In order to use the method to its full capacity, some instrumental developments are needed to adapt it to the specific experimental requirements of hydrate studies, such as very low temperatures and high pressures. This presentation discussed the quantification of the Carbon-13 spectra with examples from natural and synthetic hydrates prepared from multi-component mixtures of hydrocarbons. The main approach used for the first two examples was Carbon-13 NMR with Magic Angle Spinning (MAS) at -100 degrees C. The detailed characterization of mixed hydrogen hydrates required low temperature hydrogen MAS. The quantification problems encountered during these experiments were also discussed. The purpose of these recent experimental developments was to prompt wider application of Solid State NMR in hydrate research. NMR proved to be a viable method for analyzing the composition and structure of multi-component mixed gas hydrates; characterizing natural gas hydrates; and, evaluating the formation conditions and properties of mixed hydrogen hydrates. The limitations of the method were highlighted and sensible choices of experimental conditions and techniques that ensure accurate results were discussed. 34 refs., 10 figs.

  4. Condensed Matter NMR under Extreme Conditions: Challenges and Opportunities

    Science.gov (United States)

    Reyes, Arneil

    2006-11-01

    Advances in resistive magnet and power supply technology have made available extremely high magnetic fields suitable for condensed matter broadline NMR experiments. This capability expands the available phase space for investigating a wide variety of materials using magnetic resonance; utilizing the strength of the field to expose or induce new physical phenomena resulting in better understanding of the physics. Continuous fields up to 45T in NHMFL Hybrid magnet have brought new challenges in designing NMR instrumentation. Field strengths and sample space limitations put constraints on RF pulse power, tuning range, bandwidth, and temperature control. The inclusion of other capabilities, including high pressure, optics, and sample rotation requires intricate probe design and construction, while extremely low milliKelvin temperatures are desired in order to explore energy scales where thermal fluctuations are suppressed. Optimization of these devices has been of paramount consideration in NHMFL Condensed Matter NMR user program. Science achieved at high fields, the new initiatives to develop resistively-detected NMR in 2D electron gas and similar systems, and the current new generation Series-Connected Hybrid magnets for NMR work will be discussed. The NHMFL is supported by the National Science Foundation and the State of Florida.

  5. In situ viscosity of oil sands using low field NMR

    International Nuclear Information System (INIS)

    Bryan, J.; Moon, D.; Kantzas, A.

    2005-01-01

    In heavy oil and bitumen reservoirs, oil viscosity is a vital piece of information that will have great bearing on the chosen EOR scheme and the recovery expected. Prediction of in situ viscosity with a logging tool would he very beneficial in reservoir characterization and exploitation design. Low field NMR is a technology that has shown great potential as a tool for characterizing hydrocarbon properties in heavy oil and bitumen reservoirs. An oil viscosity correlation has previously been developed that is capable of providing order of magnitude viscosity estimates for a wide range of oils taken from various fields in Alberta. This paper presents tuning procedures to improve the NMR predictions for different viscosity ranges, and extends the NMR viscosity model to in situ heavy oil in unconsolidated sands. The results of this work show that the NMR oil peak can be de-convoluted from the in situ signals of the oil and water, and the bulk viscosity correlation that was developed for bulk oils can he applied to predict the in situ oil viscosity. These results can be translated to an NMR logging tool algorithm, allowing for in situ measurements of oil viscosity at the proper reservoir conditions. (author)

  6. The NMR Probe of High-T$_{c}$ Materials

    CERN Document Server

    Walstedt, Russell E

    2008-01-01

    The NMR probe has yielded a vast array of data for the high-Tc materials, corresponding to different compounds, ionic sites, and nuclear species, as well as to a wide variety of experimental conditions. Over the twenty years, since the discovery of superconducting cuprates, ongoing analysis and discussion of cuprate NMR data have resulted in a wealth of important insights into the physics of these exotic systems. The aims of this monograph are threefold. First, it reviews NMR methodology as it has been applied to the cuprate studies. This is addressed to NMR practitioners and to physics laypersons alike. Next, it presents a review of cuprate NMR measurements and the wide variety of phenomena which they represent. The third phase is to recount the theoretical model calculations and other proposals which have been put forward to account for these data. Parts two and three are presented in parallel, as there are many aspects to both topics, each with its own interesting history. There is, even twenty years on, a...

  7. Chirp echo Fourier transform EPR-detected NMR

    Science.gov (United States)

    Wili, Nino; Jeschke, Gunnar

    2018-04-01

    A new ultra-wide band (UWB) pulse EPR method is introduced for observing all nuclear frequencies of a paramagnetic center in a single shot. It is based on burning spectral holes with a high turning angle (HTA) pulse that excites forbidden transitions and subsequent detection of the hole pattern by a chirp echo. We term this method Chirp Echo Epr SpectroscopY (CHEESY)-detected NMR. The approach is a revival of FT EPR-detected NMR. It yields similar spectra and the same type of information as electron-electron double resonance (ELDOR)-detected NMR, but with a multiplex advantage. We apply CHEESY-detected NMR in Q band to nitroxides and correlate the hyperfine spectrum to the EPR spectrum by varying the frequency of the HTA pulse. Furthermore, a selective π pulse before the HTA pulse allows for detecting hyperfine sublevel correlations between transitions of one nucleus and for elucidating the coupling regime, the same information as revealed by the HYSCORE experiment. This is demonstrated on hexaaquamanganese(II). We expect that CHEESY-detected NMR is generally applicable to disordered systems and that our results further motivate the development of EPR spectrometers capable of coherent UWB excitation and detection, especially at higher fields and frequencies.

  8. Application of Solution NMR Spectroscopy to Study Protein Dynamics

    Directory of Open Access Journals (Sweden)

    Christoph Göbl

    2012-03-01

    Full Text Available Recent advances in spectroscopic methods allow the identification of minute fluctuations in a protein structure. These dynamic properties have been identified as keys to some biological processes. The consequences of this structural flexibility can be far‑reaching and they add a new dimension to the structure-function relationship of biomolecules. Nuclear Magnetic Resonance (NMR spectroscopy allows the study of structure as well as dynamics of biomolecules in a very broad range of timescales at atomic level. A number of new NMR methods have been developed recently to allow the measurements of time scales and spatial fluctuations, which in turn provide the thermodynamics associated with the biological processes. Since NMR parameters reflect ensemble measurements, structural ensemble approaches in analyzing NMR data have also been developed. These new methods in some instances can even highlight previously hidden conformational features of the biomolecules. In this review we describe several solution NMR methods to study protein dynamics and discuss their impact on important biological processes.

  9. Time domain NMR evaluation of poly(vinyl alcohol) xerogels

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, Elton Jorge da Rocha; Cavalcante, Maxwell de Paula; Tavares, Maria Ines Bruno, E-mail: mibt@ima.ufrj.br [Universidade Federal do Rio de Janeiro (IMA/UFRJ), Rio de Janeiro, RJ (Brazil). Centro de Tecnologia. Instituto de Macromoleculas Professora Eloisa Mano

    2016-05-15

    Poly(vinyl alcohol) (PVA)-based chemically cross-linked xerogels, both neat and loaded with nanoparticulate hydrophilic silica (SiO{sub 2}), were obtained and characterized mainly through time domain NMR experiments (TD-NMR). Fourier-transform infrared (FT-IR) and wide angle X-ray diffraction (WAXD) analyses were employed as secondary methods. TD-NMR, through the interpretation of the spin-lattice relaxation constant values and related information, showed both cross-linking and nanoparticle influences on PVA matrix. SiO{sub 2} does not interact chemically with the PVA chains, but has effect on its molecular mobility, as investigated via TD-NMR. Apparent energy of activation, spin-lattice time constant and size of spin domains in the sample have almost linear dependence with the degree of cross-linking of the PVA and are affected by the addition of SiO{sub 2}. These three parameters were derived from a single set of TD-NMR experiments, which demonstrates the versatility of the technique for characterization of inorganic-organic hybrid xerogels, an important class of materials. (author)

  10. The GNAT: A new tool for processing NMR data.

    Science.gov (United States)

    Castañar, Laura; Poggetto, Guilherme Dal; Colbourne, Adam A; Morris, Gareth A; Nilsson, Mathias

    2018-06-01

    The GNAT (General NMR Analysis Toolbox) is a free and open-source software package for processing, visualising, and analysing NMR data. It supersedes the popular DOSY Toolbox, which has a narrower focus on diffusion NMR. Data import of most common formats from the major NMR platforms is supported, as well as a GNAT generic format. Key basic processing of NMR data (e.g., Fourier transformation, baseline correction, and phasing) is catered for within the program, as well as more advanced techniques (e.g., reference deconvolution and pure shift FID reconstruction). Analysis tools include DOSY and SCORE for diffusion data, ROSY T 1 /T 2 estimation for relaxation data, and PARAFAC for multilinear analysis. The GNAT is written for the MATLAB® language and comes with a user-friendly graphical user interface. The standard version is intended to run with a MATLAB installation, but completely free-standing compiled versions for Windows, Mac, and Linux are also freely available. © 2018 The Authors Magnetic Resonance in Chemistry Published by John Wiley & Sons Ltd.

  11. Novel NMR tools to study structure and dynamics of biomembranes.

    Science.gov (United States)

    Gawrisch, Klaus; Eldho, Nadukkudy V; Polozov, Ivan V

    2002-06-01

    Nuclear magnetic resonance (NMR) studies on biomembranes have benefited greatly from introduction of magic angle spinning (MAS) NMR techniques. Improvements in MAS probe technology, combined with the higher magnetic field strength of modern instruments, enables almost liquid-like resolution of lipid resonances. The cross-relaxation rates measured by nuclear Overhauser enhancement spectroscopy (NOESY) provide new insights into conformation and dynamics of lipids with atomic-scale resolution. The data reflect the tremendous motional disorder in the lipid matrix. Transfer of magnetization by spin diffusion along the proton network of lipids is of secondary relevance, even at a long NOESY mixing time of 300 ms. MAS experiments with re-coupling of anisotropic interactions, like the 13C-(1)H dipolar couplings, benefit from the excellent resolution of 13C shifts that enables assignment of the couplings to specific carbon atoms. The traditional 2H NMR experiments on deuterated lipids have higher sensitivity when conducted on oriented samples at higher magnetic field strength. A very large number of NMR parameters from lipid bilayers is now accessible, providing information about conformation and dynamics for every lipid segment. The NMR methods have the sensitivity and resolution to study lipid-protein interaction, lateral lipid organization, and the location of solvents and drugs in the lipid matrix.

  12. High resolution deuterium NMR studies of bacterial metabolism

    Energy Technology Data Exchange (ETDEWEB)

    Aguayo, J.B.; Gamcsik, M.P.; Dick, J.D.

    1988-12-25

    High resolution deuterium NMR spectra were obtained from suspensions of five bacterial strains: Escherichia coli, Clostridium perfringens, Klebsiella pneumoniae, Proteus mirabilis, and Staphylococcus aureus. Deuterium-labeled D-glucose at C-1, C-2, and C-6 was used to monitor dynamically anaerobic metabolism. The flux of glucose through the various bacterial metabolic pathways could be determined by following the disappearance of glucose and the appearance of the major end products in the 2H NMR spectrum. The presence of both labeled and unlabeled metabolites could be detected using 1H NMR spectroscopy since the proton resonances in the labeled species are shifted upfield due to an isotopic chemical shift effect. The 1H-1H scalar coupling observed in both the 2H and 1H NMR spectra was used to assign definitively the resonances of labeled species. An increase in the intensity of natural abundance deuterium signal of water can be used to monitor pathways in which a deuteron is lost from the labeled metabolite. The steps in which label loss can occur are outlined, and the influence these processes have on the ability of 2H NMR spectroscopy to monitor metabolism are assessed.

  13. High resolution deuterium NMR studies of bacterial metabolism

    International Nuclear Information System (INIS)

    Aguayo, J.B.; Gamcsik, M.P.; Dick, J.D.

    1988-01-01

    High resolution deuterium NMR spectra were obtained from suspensions of five bacterial strains: Escherichia coli, Clostridium perfringens, Klebsiella pneumoniae, Proteus mirabilis, and Staphylococcus aureus. Deuterium-labeled D-glucose at C-1, C-2, and C-6 was used to monitor dynamically anaerobic metabolism. The flux of glucose through the various bacterial metabolic pathways could be determined by following the disappearance of glucose and the appearance of the major end products in the 2H NMR spectrum. The presence of both labeled and unlabeled metabolites could be detected using 1H NMR spectroscopy since the proton resonances in the labeled species are shifted upfield due to an isotopic chemical shift effect. The 1H-1H scalar coupling observed in both the 2H and 1H NMR spectra was used to assign definitively the resonances of labeled species. An increase in the intensity of natural abundance deuterium signal of water can be used to monitor pathways in which a deuteron is lost from the labeled metabolite. The steps in which label loss can occur are outlined, and the influence these processes have on the ability of 2H NMR spectroscopy to monitor metabolism are assessed

  14. Nestle favours NH{sub 3} and CO{sub 2} for refrigeration. Conversion of a deep freeze store from R13 B1 to natural refrigerants; Nestle setzt auf NH{sub 3} und den Kaeltetraeger CO{sub 2}. Umruestung der Kaelteversorgung eines Grosstiefkuehllagers vom FCKW R 13 B1 auf natuerliche Kaeltemittel

    Energy Technology Data Exchange (ETDEWEB)

    Gebhardt, H. [Nestec Ltd., Vevey (Switzerland)

    2001-11-01

    The freeze store of the Nestle company were converted from CFC refrigerants to natural refrigerants, i.e. NH{sub 3} and CO{sub 2}. [German] Der Ausstieg aus den sogennanten Sicherheitskaeltemitteln aufgrund ihres Ozongefaehrdungs- bzw. Treibhauspotentials stellt viele Grosskaelteabnehmer vor die Frage der Alternative. Hiervon betroffen ist auch der weltweit taetige Nestle-Konzern, denn zahlreiche Prozesse sind auf die Kaeltetechnik angewiesen. Auf der Suche nach technischen Loesungen hat Nestle einen eigenen Kurs eingeschlagen, indem neben dem Kaeltemittel NH{sub 3} auch CO{sub 2} als Kaeltetraeger eingesetzt wird. Dies mit vielversprechenden Ergebnissen, die auch Argumente fuer den Einsatz von NH{sub 3}/CO{sub 2} in anderen Bereichen der Kaeltetechnik liefern. (orig.)

  15. Impacts of energy crop cultivation on nature and landscape. Development and application of an evaluation method; Auswirkungen des Energiepflanzenanbaus auf Natur und Landschaft. Entwicklung und Anwendung einer Bewertungsmethode

    Energy Technology Data Exchange (ETDEWEB)

    Wiehe, Julia

    2011-08-15

    For long-term planning, knowledge about the interrelationship of effects of the cultivation method and the sensitivity of ecological balance is essential. Hence, the objective of this thesis is the development of a method for the evaluation of the impacts of bioenergy crop production for biogas use on the natural environment. The developed method is in alignment with existing methods. It is also in alignment with those methods used within the practice of landscape planning, so that the method as well as the derived conclusions can be implemented into landscape planning practice in the future. The evaluation method has been applied in the three model regions Hildesheim, Soltau-Fallingbostel and Emsland. These test areas represent different physical regions in Lower Saxony and typical agricultural production conditions. On the basis of these results, general statements on the impact of bioenergy crop production on the ecological balance of the area can be made. [German] Grundlage fuer eine vorausschauende Steuerung des Ausbaus erneuerbarer Energien ist die Kenntnis der Zusammenhaenge der Wirkung des Energiepflanzenanbaus und der Empfindlichkeit des Naturhaushaltes. Ziel der Arbeit ist daher die Erarbeitung einer Methode zur umfassenden Bewertung dieser Auswirkungen auf den Naturhaushalt. Die Methode orientiert sich an bereits bestehenden und in der Praxis der Landschaftsplanung angewendeten Bewertungsmethoden, so dass sie ebenso wie die daraus abgeleiteten Schlussfolgerungen zukuenftig Eingang in die Planungspraxis finden kann. Die Bewertungsmethode wird in den drei Modellregionen Hildesheim, Soltau-Fallingbostel und Emsland angewendet, mit denen die verschiedenen Naturraeume und fuer Niedersachsen typischen landwirtschaftlichen Produktionsbedingungen abgebildet werden. Auf Grundlage dieser Ergebnisse koennen dann allgemeine Aussagen zu den Auswirkungen des Energiepflanzenanbaus auf den Naturhaushalt gemacht werden.

  16. Unified integration intervals for the structural characterization of oil, coal or fractions there of by 1h NMR and 13c NMR

    International Nuclear Information System (INIS)

    Avella, Eliseo; Fierro, Ricardo

    2010-01-01

    Based on an analysis of publications reported between 1972 and 2006, it became clear that there are inaccuracies in the limits of the ranges of integration that the authors assigned to signals in nuclear magnetic resonance (NMR) to the structural characterization of petroleum, coals and their derived fractions, from their hydrogen (1H NMR) and carbon (13C NMR) spectra. Consequently, consolidated limits were determined for the integration of 1H NMR spectra and 13C NMR of these samples using a statistical treatment applied to the limits of integration intervals already published. With these unified limits, correlation NMR charts were developed that are useful for the allocation of the integral at such intervals, and at smaller intervals defined in terms of the intersection between different assignments. Also raised equations needed to establish the integral attributable to specific fragments in an attempt to make a more accurate structural characterization from NMR spectra of oil, coal or fractions derived.

  17. Ein (erneuter) Versuch, modernen Ungleichheitsstrukturen auf die Spur zu kommen An(other) Attempt at Getting at the Core of Modern Structures of Inequality

    OpenAIRE

    Irene Dölling

    2001-01-01

    Die Verschränkung zweier Ungleichheitsstrukturen – der ‚klassischen‘ Sozialstruktur und der Struktur der Geschlechterverhältnisse – ist für die Autorin eine Ursache dafür, dass seit Einführung der Marktwirtschaft ostdeutsche Frauen massiv vom Arbeitsmarkt verdrängt werden. Aufbauend auf Grundannahmen über die Entstehung moderner Ungleichheitsstrukturen vergleicht Schäfgen die Entwicklung von Sozialstruktur und Geschlechterverhältnissen der BRD und der DDR, die sie beide als moderne Gesellscha...

  18. Phenomenological approach to the spin glass state of (Cu-Mn, Ag-Mn, Au-Mn and Au-Fe) alloys at low temperatures

    International Nuclear Information System (INIS)

    Al-Jalali, Muhammad A.; Kayali, Fawaz A.

    2000-01-01

    Full text.The spin glass of: (Cu-Mn, Ag-Mn, Au-Mn, Au-Fe) alloys has been extensively studied. The availability of published and assured experimental data on the susceptibility x(T) of this alloys has enabled the design and application of phenomenological approach to the spin glass state of these interesting alloys. The use of and advanced (S.P.S.S) computer software has resulted revealing some important features of the spin glass in these alloys, the most important of which is that the spin glass state do not represent as phase change

  19. Effekte des Schwermetalls Platin auf die frühe Individualentwicklung des Zebrabärblings (Danio rerio) und der Paradies-Schnecke (Marisa cornuarietis)

    OpenAIRE

    Osterauer, Raphaela

    2010-01-01

    Seit der Einführung des Kfz-Katalysators werden die Platingruppenelemente Platin, Palladium und Rhodium vermehrt in die Umwelt eingetragen und gelangen u.a. über Straßenabflussgewässer in aquatische Ökosysteme. Die vorliegende Arbeit untersuchte die Effekte verschiedener Konzentrationen des löslichen Platinchlorids (0, 0.1, 10, 50, 100 und 200 µg/L PtCl2) auf verschiedene Endpunkte während der frühen Individualentwicklung der beiden Süßwasserorganismen Zebrabärbling (Danio rerio) und Para...

  20. Numerical simulations on the effect of aerosols on tropospheric chemistry and range of sight; Numerische Simulationen zur Wirkung des Aerosols auf die troposphaerische Chemie und die Sichtweite

    Energy Technology Data Exchange (ETDEWEB)

    Riemer, N.

    2002-05-01

    In this study the mesoscale KAMM/DRAS model system was extended by an MADE aerosol module with a view to studying tropospheric aerosols in terms of composition and size distribution in the greatest possible detail. In particular, the MADE aerosol module was supplemented by a routine for soot. This routine involves the parameterisation of the ageing process of soot through coagulation of soot particles with soluble particles and condensation of sulphuric acid on the soot particles. This transforms the soot from an external into an internal mixture and changes its hygroscopic properties. Thus extended the model system was used to study two aspects of the effects of aerosols on the physical and chemical environment of the troposphere. The first of these two tasks was to quantify the influence of heterogeneous hydrolysis of dinitrogen pentoxide (N{sub 2}O{sub 5}) on tropospheric chemistry under summer smog conditions. The second was to study the optical properties of aerosols. The paper shows a way of deriving extinction coefficients from the calculated aerosol distributions. This is then used as a starting point for developing a method for determining range of sight. [German] Das mesoskalige Modellsystem KAMM/DRAIS wird im Rahmen dieser Arbeit um das Aerosolmodul MADE erweitert, um das troposphaerische Aerosol sowohl bezueglich seiner Zusammensetzung als auch bezueglich seiner Groessenverteilung moeglichst detailliert zu behandeln. Insbesondere wird das Aerosolmodul MADE um die Behandlung der Substanz Russ ergaenzt. Hierbei wird der Alterungsprozess von Russ durch Koagulation der Russteilchen mit loeslichen Partikeln und durch Kondensation von Schwefelsaeure auf den Russpartikeln, wodurch der Russ von einer externen in eine interne Mischung uebergeht und seine hygroskopischen Eigenschaften aendert, parametrisiert. Mit dem so erweiterten Modellsystem wird fuer zwei Themenschwerpunkte die Wirkung des Aerosols auf die physikalischen und chemischen Bedingungen in der

  1. Experimental demonstration of quantum contextuality on an NMR qutrit

    Energy Technology Data Exchange (ETDEWEB)

    Dogra, Shruti; Dorai, Kavita, E-mail: kavita@iisermohali.ac.in; Arvind

    2016-05-20

    We experimentally test quantum contextuality of a single qutrit using NMR. The contextuality inequalities based on nine observables developed by Kurzynski et al. are first reformulated in terms of traceless observables which can be measured in an NMR experiment. These inequalities reveal the contextuality of almost all single-qutrit states. We demonstrate the violation of the inequality on four different initial states of a spin-1 deuterium nucleus oriented in a liquid crystal matrix, and follow the violation as the states evolve in time. We also describe and experimentally perform a single-shot test of contextuality for a subclass of qutrit states whose density matrix is diagonal in the energy basis. - Highlights: • A contextuality inequality for a single qutrit was designed using traceless observables. • The violation of the inequality was experimentally demonstrated using NMR. • A single-shot test was experimentally performed for a subclass of diagonal qutrit states.

  2. 129 Xe-NMR of carbon black filled elastomers

    International Nuclear Information System (INIS)

    Sperling-Ischinsky, K.; Veeman, W.S.

    1999-01-01

    It is shown that 129 Xe-NMR is a powerful tool to investigate carbon black and carbon black filled elastomers. For the carbon black material itself the 129 Xe chemical shift of xenon adsorbed at the surface of carbon black aggregates yields information about the relative average pore size of the carbon black aggregates. The experimental 129 Xe-NMR results of carbon black filled ethylene-propylene-diene (EPDM) can be explained when it is assumed that the xenon atoms in the bound EPDM fraction exchange rapidly on the NMR time scale between a state where they are adsorbed on the carbon black surface and a state in which they are absorbed in the EPDM layer. This would imply that the carbon black aggregates are not completely covered with EPDM chains. (author)

  3. A fragment separator at LBL for beta-NMR experiment

    International Nuclear Information System (INIS)

    Matsuta, K.; Ozawa, A.; Nojiri, Y.; Minamisono, T.; Fukuda, M.; Kitagawa, A.; Ohtsubo, T.; Momota, S.; Fukuda, S.; Matsuo, Y.; Takechi, H.; Minami, I.; Sugimoto, K.; Tanihata, I.; Omata, K.; Alonso, J.R.; Krebs, G.F.; Symons, T.J.M.

    1992-03-01

    The Beam 44 fragment separator was built at the Bevalac of LBL for NMR studies of beta emitting nuclei. 37 K, 39 Ca, and 43 Ti fragments originating from 40 Ca and 46 Ti primary beams were separated by the separator for NMR studies on these nuclei. Nuclear spin polarization was created in 39 Ca and 43 Ti using the tilted foil technique (TFT), and the magnetic moment of 43 Ti was deduced. Fragment polarization was measured for 37 K and 39 Ca emitted to finite deflection angles. The Beam 44 fragment separator in combination with a proper polarization technique, such as TFT or fragment polarization, has been very effective for such NMR studies

  4. Experimental demonstration of quantum contextuality on an NMR qutrit

    International Nuclear Information System (INIS)

    Dogra, Shruti; Dorai, Kavita; Arvind

    2016-01-01

    We experimentally test quantum contextuality of a single qutrit using NMR. The contextuality inequalities based on nine observables developed by Kurzynski et al. are first reformulated in terms of traceless observables which can be measured in an NMR experiment. These inequalities reveal the contextuality of almost all single-qutrit states. We demonstrate the violation of the inequality on four different initial states of a spin-1 deuterium nucleus oriented in a liquid crystal matrix, and follow the violation as the states evolve in time. We also describe and experimentally perform a single-shot test of contextuality for a subclass of qutrit states whose density matrix is diagonal in the energy basis. - Highlights: • A contextuality inequality for a single qutrit was designed using traceless observables. • The violation of the inequality was experimentally demonstrated using NMR. • A single-shot test was experimentally performed for a subclass of diagonal qutrit states.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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.

  6. Ligand screening by saturation-transfer difference (STD) NMR spectroscopy.

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, V V

    2005-04-26

    NMR based methods to screen for high-affinity ligands have become an indispensable tool for designing rationalized drugs, as these offer a combination of good experimental design of the screening process and data interpretation methods, which together provide unprecedented information on the complex nature of protein-ligand interactions. These methods rely on measuring direct changes in the spectral parameters, that are often simpler than the complex experimental procedures used to study structure and dynamics of proteins. The goal of this review article is to provide the basic details of NMR based ligand-screening methods, with particular focus on the saturation transfer difference (STD) experiment. In addition, we provide an overview of other NMR experimental methods and a practical guide on how to go about designing and implementing them.

  7. 11B nutation NMR study of powdered borosilicates

    International Nuclear Information System (INIS)

    Woo, Ae Ja; Yang, Kyung Hwa; Han, Duk Young

    1998-01-01

    In this work, we applied the 1D 11 B nutation NMR method for the analysis of the local structural environments in powdered borosilicates (SiO 2 -B 2 O 3 ). Spin dynamics during a rf irradiation for spin I=3/2 was analytically calculated with a density matrix formalism. Spectral simulation programs were written in MATLAB on a PC. Two borosilicates prepared by the sol-gel process at different stabilization temperature were used for the 1D 11 B nutation NMR experiment. The 11 B NMR parameters, quadrupole coupling constants (e 2 qQ/h) and asymmetry parameters (η), for each borosilicate were extracted from the nonlinear least-squares fitting. The effects of heat treatments on the local structures of boron sites in borosilicates were discussed

  8. Automated high-resolution NMR with a sample changer

    International Nuclear Information System (INIS)

    Wade, C.G.; Johnson, R.D.; Philson, S.B.; Strouse, J.; McEnroe, F.J.

    1989-01-01

    Within the past two years, it has become possible to obtain high-resolution NMR spectra using automated commercial instrumentation. Software control of all spectrometer functions has reduced most of the tedious manual operations to typing a few computer commands or even making selections from a menu. Addition of an automatic sample changer is the next natural step in improving efficiency and sample throughput; it has a significant (and even unexpected) impact on how NMR laboratories are run and how it is taught. Such an instrument makes even sophisticated experiments routine, so that people with no previous exposure to NMR can run these experiments after a training session of an hour or less. This A/C Interface examines the impact of such instrumentation on both the academic and the industrial laboratory

  9. Variable-temperature NMR and conformational analysis of Oenothein B

    International Nuclear Information System (INIS)

    Santos, Suzana C.; Carvalho, Ariadne G.; Fortes, Gilmara A.C.; Ferri, Pedro H.; Oliveira, Anselmo E. de

    2014-01-01

    Oenothein B is a dimeric hydrolyzable tannin with a wide range of biological activities, such as antitumour, anti-inflammatory and antiviral. Its nuclear magnetic resonance (NMR) at room temperature show duplications and broadening of signals. Experiments of 1D and 2D NMR at lower temperatures were useful for the complete NMR assignments of all hydrogens and carbons. The 3D structure of the most stable conformer was determined for the first time by nuclear Overhauser effect spectroscopy (NOESY) experiment (-20 deg C) and density functional theory (DFT)(B3LYP/6-31G)/ polarizable continuum model (PCM) quantum chemical calculations. The favoured conformation showed a highly compacted geometry and a lack of symmetry, in which the two valoneoyl groups showed distinct conformational parameters and stabilities. (author)

  10. Variable-temperature NMR and conformational analysis of Oenothein B

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Suzana C.; Carvalho, Ariadne G.; Fortes, Gilmara A.C.; Ferri, Pedro H.; Oliveira, Anselmo E. de, [Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Instituto de Quimica

    2014-02-15

    Oenothein B is a dimeric hydrolyzable tannin with a wide range of biological activities, such as antitumour, anti-inflammatory and antiviral. Its nuclear magnetic resonance (NMR) at room temperature show duplications and broadening of signals. Experiments of 1D and 2D NMR at lower temperatures were useful for the complete NMR assignments of all hydrogens and carbons. The 3D structure of the most stable conformer was determined for the first time by nuclear Overhauser effect spectroscopy (NOESY) experiment (-20 deg C) and density functional theory (DFT)(B3LYP/6-31G)/ polarizable continuum model (PCM) quantum chemical calculations. The favoured conformation showed a highly compacted geometry and a lack of symmetry, in which the two valoneoyl groups showed distinct conformational parameters and stabilities. (author)

  11. Canopy Dynamics in Nanoscale Ionic Materials Probed by NMR

    Science.gov (United States)

    Mirau, Peter

    2013-03-01

    Nanoscale ionic materials (NIMs) are hybrids prepared from ionically functionalized nanoparticles (NP) neutralized by oligomeric polymer counter-ions. NIMs are designed to behave as liquids under ambient conditions in the absence of solvent and have no volatile organic content, making them useful for a number of applications. We have used NMR relaxation and pulse-field gradient NMR to probe local and collective canopy dynamics in NIMs based on silica nanoparticles (NP), fullerols and proteins in order to understand the relationship between the core and canopy structure and the bulk properties. The NMR studies show that the canopy dynamics depend on the degree of neutralization, the canopy radius of gyration and molecular crowding at the ionically modified NP surface. The viscosity in NIMs can be directly controlled with the addition of ions that enhance the exchange rate for polymers at the NP surface. These results show that NIMs for many applications can be prepared by controlling the dynamics of the NP interface.

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

    Energy Technology Data Exchange (ETDEWEB)

    Norris, Michael; Fetler, Bayard [One Moon Scientific, Inc. (United States); Marchant, Jan [University of Maryland Baltimore County, Howard Hughes Medical Institute (United States); Johnson, Bruce A., E-mail: bruce.johnson@asrc.cuny.edu [One Moon Scientific, Inc. (United States)

    2016-08-15

    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.

  13. Achieving High Accuracy in Calculations of NMR Parameters

    DEFF Research Database (Denmark)

    Faber, Rasmus

    quantum chemical methods have been developed, the calculation of NMR parameters with quantitative accuracy is far from trivial. In this thesis I address some of the issues that makes accurate calculation of NMR parameters so challenging, with the main focus on SSCCs. High accuracy quantum chemical......, but no programs were available to perform such calculations. As part of this thesis the CFOUR program has therefore been extended to allow the calculation of SSCCs using the CC3 method. CC3 calculations of SSCCs have then been performed for several molecules, including some difficult cases. These results show...... vibrations must be included. The calculation of vibrational corrections to NMR parameters has been reviewed as part of this thesis. A study of the basis set convergence of vibrational corrections to nuclear shielding constants has also been performed. The basis set error in vibrational correction...

  14. NMR imaging of cell phone radiation absorption in brain tissue

    Science.gov (United States)

    Gultekin, David H.; Moeller, Lothar

    2013-01-01

    A method is described for measuring absorbed electromagnetic energy radiated from cell phone antennae into ex vivo brain tissue. NMR images the 3D thermal dynamics inside ex vivo bovine brain tissue and equivalent gel under exposure to power and irradiation time-varying radio frequency (RF) fields. The absorbed RF energy in brain tissue converts into Joule heat and affects the nuclear magnetic shielding and the Larmor precession. The resultant temperature increase is measured by the resonance frequency shift of hydrogen protons in brain tissue. This proposed application of NMR thermometry offers sufficient spatial and temporal resolution to characterize the hot spots from absorbed cell phone radiation in aqueous media and biological tissues. Specific absorption rate measurements averaged over 1 mg and 10 s in the brain tissue cover the total absorption volume. Reference measurements with fiber optic temperature sensors confirm the accuracy of the NMR thermometry. PMID:23248293

  15. The installation of a commercial resistive NMR imager

    International Nuclear Information System (INIS)

    Smith, M.A.; Best, J.J.K.; Douglas, R.H.B.; Kean, D.M.

    1984-01-01

    It has been demonstrated that a relatively low-cost resistive NMR imager can be installed in a normal hospital environment without many major or expensive modifications. The magnet can be adjusted to give adequate uniformity and there is sufficient RF shielding to give good quality clinical images. The fringe field of the magnet of this system, which operates at the lowest field strength of any commercial NMR imager, does not present a problem to imaging unit staff. The long term reliability and detailed specifications with regard to image quality have yet to be determined. These will be determined whilst the imager is being used for clinical studies as part of the national clinical evaluation of NMR imaging supported by the Medical Research Council. (author)

  16. Advances in solid-state NMR of cellulose.

    Science.gov (United States)

    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. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Optimization and automation of quantitative NMR data extraction.

    Science.gov (United States)

    Bernstein, Michael A; Sýkora, Stan; Peng, Chen; Barba, Agustín; Cobas, Carlos

    2013-06-18

    NMR is routinely used to quantitate chemical species. The necessary experimental procedures to acquire quantitative data are well-known, but relatively little attention has been applied to data processing and analysis. We describe here a robust expert system that can be used to automatically choose the best signals in a sample for overall concentration determination and determine analyte concentration using all accepted methods. The algorithm is based on the complete deconvolution of the spectrum which makes it tolerant of cases where signals are very close to one another and includes robust methods for the automatic classification of NMR resonances and molecule-to-spectrum multiplets assignments. With the functionality in place and optimized, it is then a relatively simple matter to apply the same workflow to data in a fully automatic way. The procedure is desirable for both its inherent performance and applicability to NMR data acquired for very large sample sets.

  18. Introduction to quantum calculation methods in high resolution NMR

    International Nuclear Information System (INIS)

    Goldman, M.

    1996-01-01

    New techniques as for instance the polarization transfer, the coherence with several quanta and the double Fourier transformation have appeared fifteen years ago. These techniques constitute a considerable advance in NMR. Indeed, they allow to study more complex molecules than it was before possible. But with these advances, the classical description of the NMR is not enough to understand precisely the physical phenomena induced by these methods. It is then necessary to resort to quantum calculation methods. The aim of this work is to present these calculation methods. After some recalls of quantum mechanics, the author describes the NMR with the density matrix, reviews the main methods of double Fourier transformation and then gives the principle of the relaxation times calculation. (O.M.)

  19. De novo protein structure determination using sparse NMR data

    International Nuclear Information System (INIS)

    Bowers, Peter M.; Strauss, Charlie E.M.; Baker, David

    2000-01-01

    We describe a method for generating moderate to high-resolution protein structures using limited NMR data combined with the ab initio protein structure prediction method Rosetta. Peptide fragments are selected from proteins of known structure based on sequence similarity and consistency with chemical shift and NOE data. Models are built from these fragments by minimizing an energy function that favors hydrophobic burial, strand pairing, and satisfaction of NOE constraints. Models generated using this procedure with ∼1 NOE constraint per residue are in some cases closer to the corresponding X-ray structures than the published NMR solution structures. The method requires only the sparse constraints available during initial stages of NMR structure determination, and thus holds promise for increasing the speed with which protein solution structures can be determined

  20. NMR-Metabolic Methodology in the Study of GM Foods

    Directory of Open Access Journals (Sweden)

    Irene D’Amico

    2010-01-01

    Full Text Available The 1H-NMR methodology used in the study of genetically modified (GM foods is discussed. Transgenic lettuce (Lactuca sativa cv "Luxor" over-expressing the Arabidopsis KNAT1 gene is presented as a case study. Twenty-two water-soluble metabolites (amino acids, organic acids, sugars present in leaves of conventional and GM lettuce were monitored by NMR and quantified at two developmental stages. The NMR spectra did not reveal any difference in metabolite composition between the GM lettuce and the wild type counterpart. Statistical analyses of metabolite variables highlighted metabolism variation as a function of leaf development as well as the transgene. A main effect of the transgene was in altering sugar metabolism.