for Journals by Title or ISSN
for Articles by Keywords
help
  Subjects -> PHYSICS (Total: 736 journals)
    - ELECTRICITY (2 journals)
    - MECHANICS (5 journals)
    - NUCLEAR PHYSICS (28 journals)
    - OPTICS (53 journals)
    - PHYSICS (623 journals)
    - SOUND (11 journals)
    - THERMODYNAMIC (14 journals)

PHYSICS (623 journals)                  1 2 3 4 5 6 7 | Last

Acoustical Physics     Hybrid Journal   (8 followers)
Acoustics Today     Hybrid Journal   (2 followers)
Acta Acustica united with Acustica     Full-text available via subscription   (7 followers)
Acta Mechanica     Hybrid Journal   (15 followers)
Acta Mechanica Sinica     Hybrid Journal   (4 followers)
Acta Physica Slovaca     Open Access   (3 followers)
Advanced Composite Materials     Hybrid Journal   (10 followers)
Advanced Electromagnetics     Open Access   (9 followers)
Advanced Functional Materials     Hybrid Journal   (29 followers)
Advanced Materials     Hybrid Journal   (201 followers)
Advances in Acoustics and Vibration     Open Access   (16 followers)
Advances In Atomic, Molecular, and Optical Physics     Full-text available via subscription   (4 followers)
Advances in Condensed Matter Physics     Open Access   (6 followers)
Advances in Exploration Geophysics     Full-text available via subscription   (3 followers)
Advances in Geophysics     Full-text available via subscription   (4 followers)
Advances in High Energy Physics     Open Access   (12 followers)
Advances in Imaging and Electron Physics     Full-text available via subscription   (1 follower)
Advances in Materials Physics and Chemistry     Open Access   (7 followers)
Advances in Natural Sciences: Nanoscience and Nanotechnology     Open Access   (13 followers)
Advances in Nonlinear Optics     Open Access   (2 followers)
Advances in OptoElectronics     Open Access   (2 followers)
Advances In Physics     Hybrid Journal   (6 followers)
Advances in Physics Theories and Applications     Open Access   (4 followers)
Advances in Remote Sensing     Open Access   (6 followers)
Advances in Synchrotron Radiation     Hybrid Journal   (1 follower)
AIP Advances     Open Access   (4 followers)
American Journal of Applied Sciences     Open Access   (27 followers)
American Journal of Condensed Matter Physics     Open Access   (2 followers)
Analysis and Mathematical Physics     Hybrid Journal   (2 followers)
Annalen der Physik     Hybrid Journal   (2 followers)
Annales Geophysicae (ANGEO)     Open Access   (3 followers)
Annales Henri PoincarĂ©     Hybrid Journal   (2 followers)
Annales UMCS, Physica     Open Access  
Annals of Nuclear Medicine     Hybrid Journal   (2 followers)
Annals of Physics     Hybrid Journal   (2 followers)
Annual Reports on NMR Spectroscopy     Full-text available via subscription   (1 follower)
Annual Review of Analytical Chemistry     Full-text available via subscription   (8 followers)
Annual Review of Condensed Matter Physics     Full-text available via subscription   (1 follower)
Annual Review of Fluid Mechanics     Full-text available via subscription   (11 followers)
Annual Review of Materials Research     Full-text available via subscription   (4 followers)
Annual Review of Nuclear and Particle Science     Full-text available via subscription   (1 follower)
APL : Organic Electronics and Photonics     Hybrid Journal   (1 follower)
APL Materials     Open Access   (1 follower)
Applied Acoustics     Hybrid Journal   (3 followers)
Applied Composite Materials     Hybrid Journal   (8 followers)
Applied Mathematics and Mechanics     Hybrid Journal   (2 followers)
Applied Physics A     Hybrid Journal   (9 followers)
Applied Physics Frontier     Open Access  
Applied Physics Letters     Hybrid Journal   (22 followers)
Applied Physics Research     Open Access   (5 followers)
Applied Physics Reviews     Hybrid Journal   (7 followers)
Applied Radiation and Isotopes     Hybrid Journal   (5 followers)
Applied Remote Sensing Journal     Open Access   (5 followers)
Applied Spectroscopy     Full-text available via subscription   (11 followers)
Applied Spectroscopy Reviews     Hybrid Journal   (2 followers)
Applied Thermal Engineering     Hybrid Journal   (4 followers)
Archive for Rational Mechanics and Analysis     Hybrid Journal   (3 followers)
Astronomy & Geophysics     Hybrid Journal   (1 follower)
Astrophysical Journal Letters     Full-text available via subscription   (2 followers)
Astrophysical Journal Supplement Series     Full-text available via subscription   (2 followers)
Atmospheric and Oceanic Optics     Hybrid Journal  
Atomic Data and Nuclear Data Tables     Hybrid Journal  
Atoms     Open Access  
Attention, Perception & Psychophysics     Full-text available via subscription   (4 followers)
Autonomous Mental Development, IEEE Transactions on     Hybrid Journal   (5 followers)
Axioms     Open Access  
Bangladesh Journal of Medical Physics     Open Access  
Bauphysik     Hybrid Journal   (1 follower)
Biomaterials     Hybrid Journal   (22 followers)
Biomedical Engineering, IEEE Reviews in     Full-text available via subscription   (14 followers)
Biomedical Engineering, IEEE Transactions on     Hybrid Journal   (11 followers)
Biomedical Imaging and Intervention Journal     Open Access   (4 followers)
Biophysical Reviews     Hybrid Journal  
Biophysical Reviews and Letters     Hybrid Journal   (3 followers)
BMC Biophysics     Open Access   (7 followers)
BMC Nuclear Medicine     Open Access   (4 followers)
Brazilian Journal of Physics     Hybrid Journal  
Broadcasting, IEEE Transactions on     Hybrid Journal   (5 followers)
Building Acoustics     Full-text available via subscription   (1 follower)
Bulletin of Materials Science     Open Access   (34 followers)
Bulletin of the Atomic Scientists     Full-text available via subscription   (3 followers)
Bulletin of the Lebedev Physics Institute     Hybrid Journal   (2 followers)
Bulletin of the Russian Academy of Sciences: Physics     Hybrid Journal   (1 follower)
Caderno Brasileiro de Ensino de FĂ­sica     Open Access  
Canadian Journal of Physics     Full-text available via subscription   (2 followers)
Cells     Open Access  
Central European Journal of Physics     Hybrid Journal   (2 followers)
Chinese Journal of Astronomy and Astrophysics     Full-text available via subscription  
Chinese Journal of Chemical Physics     Hybrid Journal   (1 follower)
Chinese Physics B     Full-text available via subscription  
Chinese Physics C     Full-text available via subscription  
Chinese Physics Letters     Full-text available via subscription  
Cohesion and Structure     Full-text available via subscription   (1 follower)
Colloid Journal     Hybrid Journal   (1 follower)
Communications in Mathematical Physics     Hybrid Journal   (3 followers)
Communications in Numerical Methods in Engineering     Hybrid Journal   (4 followers)
Communications in Theoretical Physics     Full-text available via subscription   (2 followers)
Composites Part A : Applied Science and Manufacturing     Hybrid Journal   (23 followers)
Composites Part B : Engineering     Hybrid Journal   (21 followers)
Computational Materials Science     Hybrid Journal   (15 followers)

        1 2 3 4 5 6 7 | Last

Annual Reports on NMR Spectroscopy    [3 followers]  Follow    
  Full-text available via subscription Subscription journal
     ISSN (Print) 0066-4103
     Published by Elsevier Homepage  [2556 journals]   [SJR: 0.743]   [H-I: 25]
  • Index
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81




      PubDate: 2014-01-27T07:24:03Z
       
  • Index
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79




      PubDate: 2014-01-27T07:24:03Z
       
  • Index
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78




      PubDate: 2014-01-27T07:24:03Z
       
  • Index
    • Abstract: Publication date: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77




      PubDate: 2014-01-27T07:24:03Z
       
  • Index
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80




      PubDate: 2014-01-27T07:24:03Z
       
  • Copyright
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81




      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter Five Dependencies of J-Couplings upon Dihedral Angles on Proteins
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Pedro Salvador
      Indirect spin–spin coupling constants, or simply J-couplings, are one of the most useful and widely used NMR parameters for structure determination. Accurate analytic representation of their structural dependence is crucial for quantitative analysis. The dependence of vicinal J-coupling constants upon the dihedral angle of the coupled nuclei was first established by Karplus more than 50 years ago. Since then, Karplus original equations have been extensively modified and generalized in order to account for different effects upon the J-coupling values. In this work, we critically analyse the use of such Karplus-type equations for the description of the dihedral dependence of J-couplings derived from both experiment and first principles. The use of alternative nonanalytic expressions is also discussed. Finally, we have collected the most accurate J-coupling parameterizations of the recent literature, particularly those that exhibit explicit dependence upon the dihedral angles that govern the backbone and side-chain conformations of polypeptide chains.


      PubDate: 2014-01-11T04:34:01Z
       
  • Preface
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Graham A. Webb



      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter One Recent Advances in Solid-State 67Zn NMR Studies From
           Nanoparticles to Biological Systems
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Yining Huang , Andre Sutrisno
      In this chapter, we summarize the tremendous advances in 67Zn solid-state NMR (SSNMR) spectroscopy and its applications over the last two decades. 67Zn is the only NMR-active isotope of zinc with NMR unfavourable nuclear properties such as a small gyromagnetic ratio, a low natural abundance and a relatively large quadrupole moment. As a result, 67Zn SSNMR spectroscopy had historically been very challenging. However, in recent years, 67Zn SSNMR spectroscopy has increasingly played an important role in characterizing zinc-containing solids. The increased feasibility of 67Zn SSNMR spectroscopy can be credited, in large part, to several factors such as the increased accessibility of ultrahigh-magnetic-field NMR instruments, the development of sensitivity-enhancement techniques for quadrupolar nuclei and the availability of first-principle calculations of NMR parameters of solids. The examples provided in this chapter illustrate that 67Zn SSNMR spectroscopy is indeed a powerful tool for characterizing a wide range of zinc-containing materials from semiconducting nanoparticles to biological systems.


      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter Two Acidity Characterization of Solid Acid Catalysts by
           Solid-State 31P NMR of Adsorbed Phosphorus-Containing Probe Molecules
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Anmin Zheng , Feng Deng , Shang-Bin Liu
      Recent developments on acidity characterization of solid acid catalysts, specifically those invoking 31P solid-state nuclear magnetic resonance (SSNMR) spectroscopy using phosphorus-containing molecules as probes, have been summarized. In particular, various 31P SSNMR approaches using trimethylphosphine, diphosphines, and trialkylphosphine oxides (R3PO) will be introduced, and their practical applications for the characterization of important qualitative and quantitative features, namely, type, distribution, accessibility (location/proximity), concentration (amount), and strength of acid sites in various solid acids, will be illustrated.


      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter Three Ultrafast Magic Angle Spinning Nuclear Magnetic Resonance
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Michaël Deschamps
      Recent advances in magic angle spinning (MAS) now allow spinning frequencies of 40 to 110kHz to be reached. Ultrafast MAS is achieved in rotors with diameters smaller than around 2mm that produce larger B1 fields for the same amplifier output. Ultrafast MAS has considerably improved the quality of NMR spectra for a large number of samples containing spins with large anisotropic interactions. Paramagnetic samples, fully protonated compounds, or quadrupolar nuclei benefit from being studied at ultrafast MAS rates, as spinning sidebands are more separated, homogeneous interactions are reduced, and coherence lifetimes may be increased. However, as recoupling strategies developed for usual spinning speeds sometimes fail at higher speeds, new methods have successfully been developed to promote magnetization transfer and record correlation spectra.


      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter Four The D-HMQC MAS-NMR Technique An Efficient Tool for the
           Editing of Through-Space Correlation Spectra Between Quadrupolar and
           Spin-1/2 (31P, 29Si, 1H, 13C) Nuclei
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81
      Author(s): Gregory Tricot , Julien Trébosc , Frédérique Pourpoint , Régis Gauvin , Laurent Delevoye
      The D-HMQC (dipolar heteronuclear multiple-quantum coherence) technique is a recently developed NMR pulse sequence particularly suitable for the investigation of spatial proximity between quadrupolar and spin-1/2 nuclei. Compared to the cross-polarisation magic-angle spinning technique applied to a quadrupolar nucleus, D-HMQC does not require time-consuming optimisations and exhibits on the quadrupolar spin a better robustness to irradiation offset and to C q values and radiofrequency field. Furthermore, the high robustness to irradiation offset makes of the D-HMQC sequence the technique of choice for the structural characterisation of materials especially at high magnetic field. We show here how the D-HMQC can be easily implemented and optimised to give access to the structural analysis of silicate-, phosphate-, carbon- and proton-containing materials. An emphasis will be on describing the most popular dipolar recoupling schemes that can be used in that sequence and providing their advantages and drawbacks.


      PubDate: 2014-01-11T04:34:01Z
       
  • Contributors
    • Abstract: Publication date: 2014
      Source:Annual Reports on NMR Spectroscopy, Volume 81




      PubDate: 2014-01-11T04:34:01Z
       
  • Chapter Five Magic Angle Spinning NMR Studies of Protein Assemblies:
           Recent Advances in Methodology and Applications
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): Guangjin Hou , Christopher L. Suiter , Si Yan , Huilan Zhang , Tatyana Polenova
      In living organisms, many processes are executed through tightly regulated networks of multi-component macromolecular complexes. Knowledge of structure and dynamics of such assemblies is essential to understanding their biological mechanisms. Solid-state NMR spectroscopy is a prime method for studying macromolecular assemblies, at atomic-level resolution, particularly in systems that are insoluble and lack long-range order. In this report, we review the contemporary magic-angle-spinning (MAS) NMR methods for investigation of proteins assemblies. We describe the progress in multidimensional correlation spectroscopy, recoupling, and decoupling techniques. We discuss emerging methods for recording spectra at MAS frequencies of 40kHz and faster. We review techniques for sensitivity enhancement and fast data collection. We address isotopic labelling approaches to alleviate spectral congestion, facilitate assignments, and highlight specific intra- and intermolecular interactions. Finally, we present recent case studies on exciting and challenging systems, including assemblies of bacteriophages and HIV-1 proteins, cytoskeleton-associated proteins, gas vesicles, type III secretion system, and protein–RNA complexes.


      PubDate: 2013-09-28T03:30:58Z
       
  • Chapter Six Recent Advances in Solution NMR Studies 13C Direct Detection
           for Biomolecular NMR Applications
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): Isabella C. Felli , Alessandro Piai , Roberta Pierattelli
      Carbon-13 direct detection NMR provides a complementary tool for biomolecular applications, thanks to the development of a large variety of experimental variants and to recent improvements in instrumental sensitivity. It can be used as a general tool for any protein study and it can provide unique information very relevant for the characterization of a variety of different systems such as paramagnetic proteins and large multimeric protein assemblies, as well as intrinsically disordered proteins. The different properties of 13C respect to 1H, which provide the rational for the experiments developed, are discussed. The technical aspects that needed to be solved, as well as the many experimental variants developed to address different cases, are presented. Application areas where these experiment result particularly useful are also described.


      PubDate: 2013-09-28T03:30:58Z
       
  • Chapter Four Proton NMR Profiling of Food Samples
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): Raffaele Lamanna
      1H NMR profiling is an emerging technique for the characterization of food quality, authenticity, origin and stability and for the study of food production, transformation and storage processes. To produce reliable results, a large number of good quality NMR spectra are needed together with suitable processing and pattern recognition algorithms. Different aspects of sample preparation and spectra detection and quantification are discussed together with the most diffused pattern recognition methods which permit to associate NMR spectra to food macroscopic properties. Critical aspects of clustering, classification and regression approaches are analysed and the importance of model validation and data representation emphasized. Finally, the most important applications of 1H NMR profiling to food science are presented.


      PubDate: 2013-09-28T03:30:58Z
       
  • Copyright
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80




      PubDate: 2013-09-28T03:30:58Z
       
  • Chapter Three Quantification of Complex Mixtures by NMR
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): John van Duynhoven , Ewoud van Velzen , Doris M. Jacobs
      NMR has firmly established itself as an analytical tool that can quantify analyte concentrations in complex mixtures in a rapid, cost-effective, accurate and precise manner. Here, the technological advances with respect to instrumentation, sample preparation, data acquisition and data processing over the past decade will be discussed. It will be shown that besides mainstream 1D 1H NMR also homo- and heteronuclear 2D experiments are gaining practical use. An overview will be given of the widespread applications of qNMR in diverse applications areas, ranging from foods, biomedicine to natural and pharmaceutical product analysis. Yet, qNMR is still limited to the quantification of a limited number of target compounds. Considering the current rate of developments in NMR acquisition and data processing, it is envisaged that in the near future a much wider range of analytes can be simultaneously assessed in a routine manner at even lower operational cost.


      PubDate: 2013-09-28T03:30:58Z
       
  • Contributors
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80




      PubDate: 2013-09-28T03:30:58Z
       
  • Preface
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): G.A. Webb



      PubDate: 2013-09-28T03:30:58Z
       
  • Chapter One NMR Studies of Crown Ether–Cyclodextrin Complexes
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): Błażej Gierczyk
      Formation of highly ordered systems is one of the most fascinating phenomenon studied by chemistry. This paper presents the current state of knowledge of the interactions between two classes of supramolecular ligands: cyclodextrins and crown ethers, as well as the formation of double-encapsulated systems, containing metal ion inside the cavity of the bonded crown ether. Besides of the simple crown ethers, the complexation of their thia- and aza-analogues is also discussed.


      PubDate: 2013-09-28T03:30:58Z
       
  • Chapter Two 15N and 31P NMR Coordination Shifts in Transition Metal
           Complexes with Nitrogen- and Phosphorus-Containing Heterocycles
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 80
      Author(s): Leszek Pazderski
      A review with 351 references. It collects the 15N and 31P NMR data for ca. 390 and ca. 340, respectively, complexes of transition metal ions such as Ni(0), Pd(0), Pt(0), Ni(II), Pd(II), Pt(II), Pd(IV), Pt(IV), Co(−1), Rh(−1), Rh(I), Ir(I), Co(III), Rh(III), Ir(III), Fe(−2), Ru(−2), Fe(II), Ru(II), Os(II), Cu(I), Ag(I), Au(I), Au(III), Zn(II), Cd(II), and Hg(II) with nitrogen-containing heterocycles (azines, azoles and azoloazines like purines or 1,2,4-triazolo-[1,5a]-pyrimidines), and their phosphorus analogues (phosphinines and phospholes). The 15N and 31P NMR coordination shifts, that is, the differences between 15N or 31P chemical shifts of the same nitrogen or phosphorus in the molecules of the complex and the ligand (Δ 15N coord = δ 15N compl − δ 15N lig; Δ 31P coord = δ 31P compl − δ 31P lig), have been discussed in relation to some structural features of the reviewed coordination compounds, mainly to the type of the metal central ion and the donor atom in trans-position in respect to the concerned 15N or 31P nucleus.


      PubDate: 2013-09-28T03:30:58Z
       
  • Copyright
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79




      PubDate: 2013-06-13T00:38:44Z
       
  • Contributors
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79




      PubDate: 2013-06-13T00:38:44Z
       
  • Preface
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): G.A. Webb



      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter One Profiles of Multiple Quantum NMR Coherences in a Gas of
           Spin-1/2 Molecules in Nanopores
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): Alexandre I. Zenchuk
      We present a detailed analysis of profiles of multiple quantum (MQ) NMR coherence intensities (i.e. the dependencies of the intensities of MQ coherences on their orders k) in a system of spin-carrying particles filling a nanopore. A special symmetry of the Hamiltonian governing this system is provided by the fact that the dipole–dipole interaction between any two molecules is described by the same coupling constant D, owing to averaging over the molecular diffusion. This remarkable property of the Hamiltonian drastically simplifies the numerical simulations, allowing us to study the MQ NMR dynamics in systems consisting of several hundreds of spins. In our study of the profiles of the MQ NMR coherence intensities, we first consider the low (up to 30th)-order coherence intensities, when the profiles are approximated by the exponential distribution functions of the absolute value of a coherence order k (with the polynomial factor ahead of the exponent). This agrees with one of the standard hypotheses regarding the shapes of the MQ NMR coherence profiles. Next, we involve the higher order coherences (up to the maximal possible order) and approximate the profiles by the exponential function of the polynomial in k . The latter case seems to be more promising because it takes into account more coherences. However, the first case (i.e. the exponential distribution function) might be more applicable in practice as the high-order coherence intensities may not be detected in current experiments because of the small amplitudes of their intensities.


      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter Two Diffusion in Nanoporous Host Systems
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): Rustem Valiullin
      Diffusion is one of the key parameters controlling the progress of various processes occurring in porous materials. For fluids confined to mesoporous solids, diffusion, in addition to the complex structure of these materials, is found to be further diversified by their rich phase behaviour, giving rise to a strong coupling between the phase state and internal dynamics. By applying NMR as a non-perturbing experimental technique, the results of systematic studies of fluid microscopic and macroscopic dynamics confined to mesoporous solids are reviewed. In particular, the correlations between diffusive dynamics and the details of gas–liquid and solid–liquid coexistences are explored. Selected examples concerning dynamic behaviour accompanying other types of transitions are presented.


      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter Three NMR Studies of Nonionic Surfactants
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): Tiago Mendes Ferreira , Diana Bernin , Daniel Topgaard
      NMR has contributed greatly to our current understanding of self-association, phase behaviour, and molecular dynamics in aqueous systems of oligo(ethylene oxide) monoalkyl ether (C m E n ) nonionic surfactants, which are extensively used in both basic scientific studies and technical applications as emulsifying agents and detergents. This review provides a comprehensive but concise overview of the various NMR techniques that have been applied to nonionic surfactants. We describe conventional experimental procedures, such as the measurement of quadrupole splittings, nuclear relaxation times, and self-diffusion coefficients to characterize liquid crystalline phases, micelles, and microemulsions, as well as more advanced imaging and diffusion–diffusion 2D correlation approaches to investigate the structure of phase-separated systems and the spatial organization of anisotropic liquid crystalline domains on the micro- to millimetre length scales.


      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter Four Recent Advances in Solid-State NMR of Alkaline Earth Elements
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): Igor L. Moudrakovski
      Recent developments in the solid-state NMR of 25Mg, 43Ca, 135,137Ba, and 87Sr are discussed in a context of contemporary applications to inorganic, organometallic, and biological materials. While each alkaline earth nucleus presents its own unique combination of NMR challenges, together they are characterized by low intrinsic sensitivity due to their small magnetic moments and low natural abundance. Solid-state NMR advances of the last decade, particularly the increased availability of very high magnetic field beyond 17T, the development and implementation of signal enhancement techniques for quadrupolar nuclei, progress in methods for obtaining wideline and ultra-wideline NMR spectra of solids, together with the widespread use of computational techniques, have all contributed immensely to the accelerated growth of solid-state NMR of alkaline earth nuclei and extension of the method into biology and material science. The specifics and the experimental challenges of each nucleus in solid-state NMR applications are discussed.


      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter Five Solid-State NMR of High-Pressure Silicates in the
           Earth’s Mantle
    • Abstract: Publication date: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 79
      Author(s): John M. Griffin , Sharon E. Ashbrook
      The Earth’s mantle is primarily composed of solid silicates, which undergo a number of phase transitions with increasing pressure and temperature. A detailed knowledge of these phases is integral to our understanding of the physical and chemical properties of the inner Earth. In particular, the Earth’s mantle is believed to contain a large amount of water that is at least equivalent to that present in the oceans and atmosphere; however, the way in which this water is stored within the mantle is not well understood. Nuclear magnetic resonance (NMR) spectroscopy can offer an unparalleled insight into the structure, disorder and dynamics on the atomic scale, making it an ideal probe for such systems. In this review, we explore applications of NMR spectroscopy for the study of high-pressure silicates in the Earth’s mantle. We first highlight some of the experimental techniques used and discuss the properties of NMR-active nuclei that are relevant to the study of high-pressure silicates. After summarising the chemical nature of the Earth’s mantle and discussing synthetic methods for the preparation of the silicate phases present at different depths, we then review applications of NMR spectroscopy for the study of mantle silicates with a particular focus on the hydration of nominally anhydrous minerals.


      PubDate: 2013-06-13T00:38:44Z
       
  • Chapter Four NMR Studies of Molten Salt and Room Temperature Ionic Liquids
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78

      This chapter presents the nuclear magnetic resonance (NMR) developments and studies on the high temperature inorganic molten salts and on room temperature ionic liquids. It is focused on the liquid structure investigated, thanks to the chemical shifts analysis and to magnetization transfer experiments. It deals also with the dynamics at the local scale investigated using relaxometry and at the long range using pulsed field gradient NMR.


      PubDate: 2013-02-22T22:14:15Z
       
  • Chapter Five Intermolecular Zero Quantum Coherence in NMR Spectroscopy
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78

      Intermolecular zero-quantum coherences (iZQCs) originating from distant dipolar interactions between spins in different molecules provide an innovative way for nuclear magnetic resonance (NMR) spectroscopy. Since the field experienced by iZQC signals is in the dipolar correlation distance, it is naturally to apply iZQCs for resolution enhancement in NMR spectroscopy, especially under the spatially and/or temporally varying magnetic fields. Two theoretical frames, classical distant dipolar field and quantum-mechanical intermolecular multiple-quantum coherence treatments, are available for the description of iZQC signal evolution. A variety of iZQC spectroscopic techniques have been established and most of them take advantage of two-dimensional acquisition to recover a one-dimensional high-resolution spectrum with information on chemical shifts, relative peak areas, J-coupling constants, and multiplet patterns. In this review, two comprehensive descriptions of an iZQC signal are presented first. The existing iZQC techniques are then systematically described. The details and underlying mechanisms of these techniques are discussed. Finally, the in vivo applications of iZQC spectroscopic techniques are given.


      PubDate: 2013-02-22T22:14:15Z
       
  • Chapter Two Applications of Projection NMR Techniques
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78

      Among the range of fast methods that were developed for speeding up NMR data acquisition, mostly over the last decade, projection spectroscopy and reduced dimensionality approaches have found significant area of applications in both solution and solid-state NMR studies. In this review, we illustrate the diversity of these applications, notably in the field of biomolecular NMR. Projection spectroscopy plays a remarkable role in the modern protocols for backbone and side-chains assignment for high-throughput structural studies of small globular proteins, or for investigations of macromolecular systems exhibiting high chemical shift degeneracy. Approaches that exploit projection spectroscopy and reconstruction approaches for structural investigations of small molecules and their complex mixtures, as well as high-resolution studies of materials in the solid-state are also presented.


      PubDate: 2013-02-22T22:14:15Z
       
  • Chapter Three Optical Atomic Magnetometry for Ultra-Low-Field NMR
           Detection
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78

      This chapter deals with detection of nuclear magnetic resonance (NMR) signals in the ultra-low-field (ULF) regime, by means of optical atomic magnetometers (OAMs). A general introduction is provided about specific NMR features occurring when nuclei precess in microtesla fields, or weaker. The advantages of detecting the NMR signal by means of an OAM are here preliminarily discussed. A further general introduction is provided about basic ideas and recent progresses in optical atomic magnetometry. A section is devoted to the detailed presentation of an example of dual-channel atomic magnetometer which was used to detect the signal produced by protons of a remotely polarized water sample in an unshielded environment, taking advantage of its differential nature. Results reported in a wide set of similar experiments are then discussed in a general synthesis of the interdisciplinary activity performed on the main subject of this work. We report on progresses made in the ULF-NMR applications in imaging, microfluidic, zero- and near-zero field spectroscopy. The non-conventional NMR detection schemes discussed in this chapter are in some cases profitably coupled with non-conventional methods for sample polarization. Some experiments devoted to non-conventional preparation of the nuclear spin state are considered and briefly discussed, as well.


      PubDate: 2013-02-22T22:14:15Z
       
  • Contributors
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78




      PubDate: 2013-02-22T22:14:15Z
       
  • Preface
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78




      PubDate: 2013-02-22T22:14:15Z
       
  • Chapter One Recent Advances of Solid-State NMR Studies on Zeolites
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78

      Solid-state nuclear magnetic resonance (NMR) is a well-established tool for the structural characterization and dynamics study of various multifunctional materials. This review intends to cover the recent process for versatile solid-state NMR studies of topology structures, crystallization processes, host–guest interactions, acidities and catalytic reaction mechanisms of various zeolites. New insights into the relationship between zeolite structures and properties at the atomic level could benefit a lot from the new developments of solid-state NMR methodology and density functional theoretical (DFT) calculation. The spatial connections, distance information and anisotropic chemical shifts of silicon sites determined by 29Si magic angle spinning (MAS) NMR can serve as structural constraints to resolve the topology structure of zeolites. 129Xe NMR can be employed to investigate the cage and channel structure and communication in zeolites. The host–guest interactions between zeolite frameworks and confined molecules have been characterized by two-dimensional heteronuclear correlation experiments. The acidity property of zeolites (including acid type, strength, concentration as well as distribution) can be well understood through the combination of solid-state NMR probe molecule technique and DFT calculation. In particular, information about spatial proximities among various acid sites in zeolites is available from two-dimensional double quantum MAS NMR experiments. The crystallization and catalytic reaction mechanisms can be elucidated by monitoring the evolution of crystallization and reaction processes, respectively, through solid-state NMR spectroscopy.


      PubDate: 2013-02-22T22:14:15Z
       
  • Copyright
    • Abstract: 2013
      Publication year: 2013
      Source:Annual Reports on NMR Spectroscopy, Volume 78




      PubDate: 2013-02-22T22:14:15Z
       
  • Preface
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 76




      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter 1 Getting the Most Out of HSQC and HMBC Spectra
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 76

      As the title suggests, this chapter focuses on HSQC and HMBC spectra, two critically important spectra for organic structure determination by two-dimensional NMR. The relative merits of the HSQC sequence and the alternative HMQC sequence are discussed, and the performances of different versions of the HSQC sequence are evaluated, using three test compounds. It is shown that recent modifications of the HSQC sequence have eliminated or minimized earlier weaknesses of this sequence, leading to a more than twofold increase in signal/noise, particularly for edited HSQC spectra. In the case of HMBC, the impact of recent modifications of the sequence is much less than for HSQC. However, the choice of acquisition and processing parameters can have a dramatic effect on the signal/noise of HMBC spectra. A few of the numerous variants of HMBC that have been proposed to compensate for weaknesses of this sequence are considered. While they potentially yield more information, this is at the expense of signal/noise.


      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter 2 A Review of REDCRAFT Simultaneous Investigation of Structure and
           Dynamics of Proteins from RDC Restraints
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 76

      Residual dipolar couplings (RDCs) have emerged as a viable source of NMR data for the study of protein structure and dynamics. Although very informative and accurate, their use has been limited because of challenges associated with comprehensive analyses of RDC data. The REDCRAFT software package has been designed to use RDCs exclusively for the simultaneous study of protein structure and dynamics. This has enabled the direct study of protein backbones and facilitated the fragmented study of proteins for instances where only partial data may be available. REDCRAFT's effective search engine has also resulted in a reduction in the number of RDC data required per residue to near theoretical limits. Here, we demonstrate the ability of REDCRAFT in structure determination of proteins using only backbone {N–H, Cα–Hα} RDCs from two alignment media, or {C–N, N–H, C–H} from one alignment medium and {N–H} from the second alignment medium. In addition, we present the success of REDCRAFT in identification of internal dynamics and its proper treatment in application to simulated data.


      PubDate: 2012-12-16T09:05:37Z
       
  • Copyright
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 76




      PubDate: 2012-12-16T09:05:37Z
       
  • Contributors
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 76




      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter Three Steroids and NMR
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77

      In this chapter, the NMR spectroscopic investigation of steroids is analyzed from five different angles, yet the general stage, the steroid-specific aspect and the provision of an illustrative example are the common themes for each perspective. Firstly, steroids and NMR are placed in their chemical, analytical and pharmaceutical context. Secondly, the characteristic challenges of steroid structure elucidation and the aspects of specific moieties of steroidal compounds are described following chronological and also stereospecific lines. Subsequently, the application of NMR methodology is reviewed with respect to host–guest chemistry, impurity profiling and isotopic labelling, such as 3H, 17O and 19F. Furthermore, the use of computer-assisted structure elucidation applied to the steroids using incremental systems, simple databases and the current sophisticated spectral prediction algorithms will be discussed and their applications compared for testosterone and tibolone. The most recently developed and also the rare, but nonetheless valuable, NMR methods will also be presented. These include covariance processing, residual dipolar couplings and high-sensitivity CC INADEQUATE experiments. Finally, suitable experiment sets for steroid structure elucidation and structure confirmation are discussed. Tibolone is used as the common thread and serves as an illustrative example throughout this chapter.


      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter Four Structural Characterization of Zeolites by Advanced Solid
           State NMR Spectroscopic Methods
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77

      This review overviews the application of solid state NMR spectroscopy to the structural characterization of silicate, and acidic aluminosilicate and borosilicate zeolites focusing on the utilization of new developed methods. We summarize recent results on the investigations of the distribution of silicon atoms into the zeolite framework, as well as the location of F− anions and formation of pentacoordinated silicon species in zeolites synthesized in fluoride medium. Special attention is paid here to the characterization of framework and extraframework boron and most specially aluminium species and the acid sites in zeolites. In Section 6 of this review, we present the basis and practical aspects of advanced NMR experiments used in the characterization of microporous solids paying special attention to quadrupolar nuclei and other methods based on dipolar interactions.


      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter Two Pure Phase Encode Magnetic Resonance Imaging of Fluids in
           Porous Media
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77

      Two classes of pure phase encoding MRI methods employed for imaging fluids in porous media, single point ramped imaging with T 1 enhancement (SPRITE) and spin echo single point imaging (SE-SPI), are reviewed. Centric scan SPRITE methods have simple signal equations and are robust in generating quantitative images with relatively short acquisition times and minimal gradient duty cycles. SE-SPI sequences are useful for measuring materials with moderate T 2 and short T 2*. T 2 mapping SE-SPI permits measuring spatially resolved T 2 distributions which provide important information about fluid occupancy of the pore space. Applications of pure phase encoding methods in porous media have been demonstrated in the measurement of static fluid content as well as in the measurement of dynamic processes.


      PubDate: 2012-12-16T09:05:37Z
       
  • Copyright
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77




      PubDate: 2012-12-16T09:05:37Z
       
  • Contributors
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77




      PubDate: 2012-12-16T09:05:37Z
       
  • Preface
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77




      PubDate: 2012-12-16T09:05:37Z
       
  • Chapter One Recent Advances in Nuclear Shielding Calculations
    • Abstract: 2012
      Publication year: 2012
      Source:Annual Reports on NMR Spectroscopy, Volume 77

      Nuclear magnetic shielding calculations have reached a great deal of sophistication, as these now incorporate both relativistic and correlation effects. Approaches now include molecular dynamics as well as effects of the medium in condensed phases. With these computational tools, calculated shielding values are now obtained under conditions as close as possible to those of a sample inside a nuclear magnetic resonance spectrometer. Indeed, computations are approaching the limits of experimental uncertainty. A brief description of new methodologies of shielding calculations is presented followed by a review of the various factors that may influence shielding. The usefulness of being able to reproduce experimental data is highlighted by citing how shielding calculations in many instances have enabled avenues for extracting information on various systems.


      PubDate: 2012-12-16T09:05:37Z
       
 
 
JournalTOCs
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
Email: journaltocs@hw.ac.uk
Tel: +00 44 (0)131 4513762
Fax: +00 44 (0)131 4513327
 
About JournalTOCs
API
Help
News (blog, publications)
JournalTOCs on Twitter   JournalTOCs on Facebook

JournalTOCs © 2009-2014