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  Subjects -> MEDICAL SCIENCES (Total: 7268 journals)
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Journal Cover Annual Reports on NMR Spectroscopy
  [SJR: 0.627]   [H-I: 31]   [4 followers]  Follow
    
   Full-text available via subscription Subscription journal
   ISSN (Print) 0066-4103
   Published by Elsevier Homepage  [3043 journals]
  • NMR Studies of Organic Aerosols
    • Authors: Regina M.B.O. Duarte; João T.V. Matos; Andreia S. Paula; Sónia P. Lopes; Guilherme Pereira; Pérola Vasconcellos; Adriana Gioda; Renato Carreira; Artur M.S. Silva; Armando C. Duarte; Patricia Smichowski; Nestor Rojas; Odon Sanchez-Ccoyllo
      Pages: 513 - 525
      Abstract: Publication date: Available online 26 May 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Regina M.B.O. Duarte, Armando C. Duarte
      Organic aerosols (OAs) composition in the atmosphere is highly complex and strongly influenced by a panoply of sources and different formation processes. Although OAs have been extensively studied in urban, rural, and marine environments, their complexity is still a major obstacle to an improved understanding on how OAs affect the climate and human health. Nuclear magnetic resonance (NMR) spectroscopy has become one of the leading analytical approaches for the characterization of OAs and has gained importance in atmospheric chemistry sciences. This review highlights both solid-state and one- and two-dimensional solution-state NMR spectroscopy as unmatched tools for nontarget structural elucidation of atmospheric OAs. This work aims to demonstrate various applications of NMR in OAs studies, ranging from OAs source apportionment in field studies to investigation of secondary OAs composition in laboratory experiments. The limitations, weaknesses, and major challenges ahead on the application of NMR tools for OAs research are also overviewed.

      PubDate: 2017-05-27T21:55:30Z
      DOI: 10.1016/j.envpol.2017.05.011
      Issue No: Vol. 227 (2017)
       
  • Recent NMR Studies of Thermoelectric Materials
    • Authors: Ali A. Sirusi; Joseph H. Ross
      Abstract: Publication date: Available online 16 June 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Ali A. Sirusi, Joseph H. Ross
      Thermoelectric materials can directly convert heat to electricity and are expected to lead to new devices to harvest waste heat for energy efficiency as well as new cooling technologies. Optimization of these properties requires tailoring vibrational properties as well as the entropy carried by electrical charges and spins. NMR measurements have been important for understanding these processes, providing a measure of anharmonic “rattling” phonon behavior, local fluctuations in charge carrier and magnetic properties, and atomic-scale symmetries and distortions within these materials. Here we report recent NMR results focusing on inorganic clathrates, skutterudites, oxides, noble metal chalcogenides, complex tellurides, and half-Heusler compounds in which high thermoelectric efficiencies have been reported.

      PubDate: 2017-08-04T10:41:15Z
      DOI: 10.1016/bs.arnmr.2017.04.002
       
  • Applications of Solid-State 43Ca Nuclear Magnetic Resonance:
           Superconductors, Glasses, Biomaterials, and NMR Crystallography
    • Authors: Cory M. Widdifield
      Abstract: Publication date: Available online 10 July 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Cory M. Widdifield
      The application of 43Ca solid-state nuclear magnetic resonance (SSNMR) experiments to probe various materials is reviewed. Methods used to obtain high-quality 43Ca SSNMR spectra, and the types of information which can be gained by recording 43Ca NMR spectra, are outlined. Substantial discussion is provided in relation to the classes of materials which have already been studied, at least in part, by 43Ca SSNMR. This includes, but is not limited to, superconductors, binary and ternary calcium-containing inorganics (and hydrates thereof), silicates, glasses, cements, concretes, clays, phosphates, bones, teeth, calcium-containing organics, and biomaterials. Studies that include the computation of calcium NMR parameters using quantum chemistry methods are discussed in detail, which leads naturally to accounts pertaining to NMR crystallography. This review concludes with brief speculations on the future of 43Ca SSNMR.

      PubDate: 2017-07-19T08:27:27Z
      DOI: 10.1016/bs.arnmr.2017.04.006
       
  • Nonlinear Effects in NMR
    • Authors: Matthias Bechmann; Norbert Müller
      Abstract: Publication date: Available online 23 June 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Matthias Bechmann, Norbert Müller
      Analytical applications of NMR exploit the widely assumed linearity of the NMR response with respect to the spin concentration. Deviations of this linearity are undesired and in this review some current approaches to tackle this problem are given. However, from a physics point of view, the nonlinearity is a more complex affair. Indeed, NMR as a primary representative of coherent spectroscopy can be viewed as an inherently nonlinear method, in particular with respect to the excitation amplitude. Even excluding this intrinsic property, amplitude response is not always found to be linear and several distinct fundamental nonlinearity or nonadditivity effects can be caused by spin interactions, which can either be internal to the specimen, or owed to feedback from the observation electronics as summarized here with references to the latest literature. Ways to avoid nonlinear response for quantitative NMR applications are summarized briefly.

      PubDate: 2017-06-29T10:47:28Z
      DOI: 10.1016/bs.arnmr.2017.04.005
       
  • Solid-State NMR Spectroscopy: The Magic Wand to View Bone at Nanoscopic
           Resolution
    • Authors: Kamal H. Mroue; Akhila Viswan; Neeraj Sinha; Ayyalusamy Ramamoorthy
      Abstract: Publication date: Available online 7 June 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Kamal H. Mroue, Akhila Viswan, Neeraj Sinha, Ayyalusamy Ramamoorthy
      The unique potential of solid-state NMR (SSNMR) spectroscopy to provide atomistic-scale piercing insights into the structure and dynamics of complex biomaterials, such as the extracellular matrix of bone and related connective tissues, has been well demonstrated over the past several years. With its highly complex hierarchical architecture, bone indeed represents a significant challenge to structural studies using many conventional analytical and biophysical techniques. Recent instrumental and technological advances have considerably improved the sensitivity and resolution in multidimensional magic-angle spinning SSNMR experiments and have made it possible to obtain key high-resolution information, that are otherwise unobtainable by conventional microscopic and diffraction studies, from insoluble and amorphous heterogeneous materials of biological importance such as bone. In this review, we briefly present recent and continuing advances in the area of SSNMR of bone and related connective tissues like cartilage, by summarizing a selected ensemble of key SSNMR applications that highlight the potential with which this technique has contributed to our growing understanding of the complex structures and dynamics of these materials.

      PubDate: 2017-06-12T09:46:20Z
      DOI: 10.1016/bs.arnmr.2017.04.004
       
  • The DEPT Experiment and Some of Its Useful Variants
    • Authors: Hedvika Primasova; Peter Bigler; Julien Furrer
      Abstract: Publication date: Available online 1 June 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Hedvika Primasova, Peter Bigler, Julien Furrer
      The DEPT (distortionless enhancement by polarization transfer) experiment, proposed in 1982, has revolutionized NMR spectroscopy for signal assignment, particularly for obtaining information with respect to, e.g., the type (multiplicity) and the number of Cq, CH, CH2, and CH3 in the investigated molecule and for calculating corresponding carbon type-specific subspectra (spectral editing). In this chapter, we have explored various DEPT pulse sequences and have discussed how the pulse sequence elements cooperate and contribute to the final shape and appearance of the observed signals. In addition, we have compared the results with other experiments designed for the determination of multiplicities like the spin echo (SE)-based experiments SEFT, APT, and SEMUT, and the experiments where the signal intensity is enhanced by heteronuclear polarization transfer such as the INEPT-based experiments INEPT and PENDANT, and the DEPT-based experiments DEPT, POMMIE, and DEPTQ. After a short introduction, this chapter, with the aid of product operator formalism, provides a comprehensive description of these experiments. Building from basic principles, the DEPTQ variant, for including the signals of quaternary carbons, the ACCORDEPT, for equalizing intensities in case of a wide range of heteronuclear coupling constants, and the QDEPT and QDEPT+ sequences, for obtaining quantitative DEPT data are explained in detail.

      PubDate: 2017-06-07T09:29:22Z
      DOI: 10.1016/bs.arnmr.2017.04.001
       
  • MRI Studies of Plastic Crystals
    • Authors: K. Romanenko
      Abstract: Publication date: Available online 9 February 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): K. Romanenko
      Over three decades ago, plastic crystals were proposed as a solid-state alternative to conventional liquid electrolytes. Particular attention has been later drawn to organic ionic plastic crystals (OIPCs) and OIPC-based electrolytes. These ionic solids exhibit crucial characteristics of a safe electrolyte material such as nonflammability, nonvolatility, electrochemical stability, and plasticity. Versatility of ionic pairs available to date and ongoing research on molecular design will provide OIPCs for specific operating conditions within a broad range of electrochemical applications. Single-point ramped imaging with T 1 enhancement (SPRITE), an MRI method known for its capability to visualize solids, has played a key role in the discovery of several novel phenomena inherent in OIPCs. This chapter is an overview of these solid-state MRI studies. SPRITE imaging of polycrystalline morphology revealed a striking T 2 * contrast anisotropy and shed light on molecular dynamics in solid phases of plastic crystals. These observations suggest the possibility of macroscopically anisotropic ion conduction supported by impedance spectroscopy and in situ MRI experiments. MRI studies of operating electrochemical cells have led to a breakthrough in understanding the function of doped plastic crystals. The discovered hybrid solid–liquid property of OIPC electrolytes is the key for their successful commercialization.

      PubDate: 2017-02-10T08:20:40Z
      DOI: 10.1016/bs.arnmr.2016.12.002
       
  • Magnetic Resonance Imaging Studies of the Spatial Distribution of Charge
           Carriers
    • Authors: K. Borzutzki; G. Brunklaus
      Abstract: Publication date: Available online 6 February 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): K. Borzutzki, G. Brunklaus
      Charge carriers are an essential component of electrochemical devices or participants in redox processes and govern the achievable properties or performance of the considered materials. Since well-defined structural features of active components including the explicit coordination sphere of charge carriers typically exists at rather locale scale, the application of methods that require long-range order reflecting crystalline lattices such as X-ray diffraction is limited. In this context, magnetic resonance imaging (MRI) constitutes a highly viable option as MRI (or more general NMR) is element selective, hence, charge carrier specific and able to tolerate ill-defined structural arrangements. A skillful combination of available MRI methods allows for monitoring of electrochemical processes with sufficient spatial and temporal resolution, and their recent applications in the field of batteries and other redox chemistry are concisely summarized and discussed in this review.

      PubDate: 2017-02-10T08:20:40Z
      DOI: 10.1016/bs.arnmr.2016.12.003
       
  • Novel Synthetic As Well As Natural Auxiliaries With a Blend of NMR
           Methodological Developments for Chiral Analysis in Isotropic Media
    • Authors: Sandeep K. Mishra; Sachin R. Chaudhari; A. Lakshmipriya; Indrani Pal; N. Lokesh; N. Suryaprakash
      Abstract: Publication date: Available online 24 January 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): Sandeep K. Mishra, Sachin R. Chaudhari, A. Lakshmipriya, Indrani Pal, N. Lokesh, N. Suryaprakash
      Chiral auxiliaries are routinely employed in the NMR spectroscopic discrimination of enantiomers in isotropic solutions. Most of the times the presence of impurities, superposition of peaks, enormous line broadening, and complex multiplicity pattern limit the NMR spectroscopic discrimination of enantiomers and determination of their composition. There are a few approaches to unravel the overlap of peaks. A simple approach is to utilize appropriate chiral auxiliary, which induces a large chemical shift difference between the discriminated peaks (Δδ) R/S , and minimize or unravel the overlap of peaks. In this direction, several new chiral auxiliaries and new chiral differentiation protocols have been introduced, which are both synthetic and naturally occurring molecules. An alternate spectroscopic approach is to design NMR experiments to circumvent inherent problems, viz., enhancing the spectral resolution, separation of the superimposed spectra of enantiomers, and reduction of the spectral complexity. A large number of NMR experiments, such as two-dimensional selective F 1 decoupling, RES-TOCSY, multiple quantum detection, frequency-selective homodecoupling, band-selective homodecoupling, and broadband homodecoupling called as pure shift NMR, to cite a few, are available for such a purpose. Many of these techniques have simplified the chiral analysis for molecules containing diverse functional groups in the presence of suitable chiral auxiliaries. The present chapter summarizes the work carried out in the authors’ laboratory on chiral analysis. This includes the recently introduced new chiral auxiliaries, which are either synthesizable or natural products. They could be either derivatizing agents or solvating agents or the developed three-component protocols, in addition to new NMR experimental methodologies.

      PubDate: 2017-01-29T08:11:07Z
      DOI: 10.1016/bs.arnmr.2016.12.001
       
  • NMR Relaxation in Dendrimers
    • Authors: D.A. Markelov; M. Dolgushev; E. Lähderanta
      Abstract: Publication date: Available online 9 January 2017
      Source:Annual Reports on NMR Spectroscopy
      Author(s): D.A. Markelov, M. Dolgushev, E. Lähderanta
      This review focuses on recent advances in the theory of local orientational mobility in dendrimers that reveals in the NMR relaxation. In particular, we summarize recent results of analytic theory, computer simulations, and NMR relaxation experiments. The analytic theory provides basic means for the analysis of the simulations and experiments by predicting the existence of two dominating processes: overall branch relaxation and local vibrations. On the other hand, the results of simulations and experiments complete the picture by a third process of rotation of the dendrimer as a whole. The NMR relaxation reveals a fundamental importance of the local constraints on segments’ orientations. Remarkably, the model, in which such constraints are absent, overestimates local vibrations making the NMR relaxation rate functions for segments that have different topological location in the dendrimer to be practically indistinguishable. Inclusion of the bending rigidity fixes this flaw by endorsing the process of overall branch relaxation. This leads to a correct recognition of the slower mobility of the segments that are located closer to the dendrimer's core. The crucial role of the local constraints for the NMR relaxation functions is supported by a series of experiments and simulations.

      PubDate: 2017-01-15T07:52:15Z
      DOI: 10.1016/bs.arnmr.2016.11.001
       
 
 
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