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Magnetochemistry, Volume 4, Issue 1

March 2018 - 18 articles

Cover Story: NMR2(NMR Molecular Replacement) is an MR-like approach in NMR to determine the structures of the binding pockets of ligands at atomic resolution. It is fast, since it requires only a few days of measuring time and circumvents the time-consuming sequential assignment steps for the protein. NMR2 yielded the structures of ligand–protein complexes with an accuracy below 1 Ångstrom for the binding pocket, irrespective of the initial protein structure templates used. Our findings demonstrate that NMR2 may open an avenue for fast and robust determination of the binding pocket structure of ligand–protein complexes at atomic resolution. View this paper
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Articles (18)

  • Article
  • Open Access
21 Citations
4,278 Views
14 Pages

In this paper, authors investigate homogeneous-heterogeneous chemical reaction and heat absorption effects on a two-dimensional steady hydromagnetic Newtonian nanoliquid flow along a continuously stretching sheet. The flow field is subjected to a uni...

  • Article
  • Open Access
16 Citations
6,045 Views
17 Pages

This work reports numerical investigation of lateral migration of a paramagnetic microparticle of an elliptic shape in a plane Poiseuille flow of a Newtonian fluid under a uniform magnetic field by direct numerical simulation (DNS). A finite element...

  • Communication
  • Open Access
15 Citations
10,570 Views
18 Pages

Nuclear Magnetic Resonance Spectroscopy Investigations of Naphthalene-Based 1,2,3-Triazole Systems for Anion Sensing

  • Karelle Aiken,
  • Jessica Bunn,
  • Steven Sutton,
  • Matthew Christianson,
  • Domonique Winder,
  • Christian Freeman,
  • Clifford Padgett,
  • Colin McMillen,
  • Debanjana Ghosh and
  • Shainaz Landge

Detailed Nuclear Magnetic Resonance (NMR) spectroscopy investigations on a novel naphthalene-substituted 1,2,3-triazole-based fluorescence sensor provided evidence for the “turn-on” detection of anions. The one-step, facile synthesis of the sensors w...

  • Article
  • Open Access
2 Citations
4,015 Views
21 Pages

A method is proposed to extend the zero-temperature Hall-Klemm microscopic theory of the Knight shift K in an anisotropic and correlated, multi-band metal to calculate K ( T ) at finite temperatures T both above and into its superconducting s...

  • Review
  • Open Access
12 Citations
7,534 Views
14 Pages

Structural characterization of complexes is crucial for a better understanding of biological processes and structure-based drug design. However, many protein–ligand structures are not solvable by X-ray crystallography, for example those with low affi...

  • Article
  • Open Access
11 Citations
7,530 Views
8 Pages

Solid-State NMR Study of New Copolymers as Solid Polymer Electrolytes

  • Jean-Christophe Daigle,
  • Alexandre A. Arnold,
  • Ashok Vijh and
  • Karim Zaghib

We report the analysis of comb-like polymers by solid-state NMR. The polymers were previously evaluated as solid-polymer-electrolytes (SPE) for lithium-polymer-metal batteries that have suitable ionic conductivity at 60 °C. We propose to develop a co...

  • Review
  • Open Access
12 Citations
6,232 Views
22 Pages

Nuclear Magnetic Resonance, a Powerful Tool in Cultural Heritage

  • Noemi Proietti,
  • Donatella Capitani and
  • Valeria Di Tullio

In this paper five case studies illustrating applications of NMR (Nuclear Magnetic Resonance) in the field of cultural heritage, are reported. Different issues were afforded, namely the investigation of advanced cleaning systems, the quantitative map...

  • Article
  • Open Access
11 Citations
5,543 Views
12 Pages

LiCl and LiNO3 water solutions in the presence of small amounts of 3-helium have been investigated by means of multinuclear resonance spectroscopy. The resulting concentration dependences of the 3He, 6,7Li+, 14NO3− and 35Cl− resonance radiofrequencie...

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Magnetochemistry - ISSN 2312-7481