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Magnetochemistry, Volume 4, Issue 1

2018 March - 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
23 Citations
4,338 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
18 Citations
6,154 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
16 Citations
10,836 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
4,153 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
7,944 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
7,667 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
6,402 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
5,772 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...

  • Article
  • Open Access
6 Citations
5,842 Views
9 Pages

The UV-driven photocuring of coatings results in a crosslinked polymeric network. The degree of crosslinking in these coatings is typically assessed via optical spectroscopy; unfortunately, optical methods are typically limited in their maximum depth...

  • Article
  • Open Access
10 Citations
5,445 Views
12 Pages

Fabrication of Magnetically Driven Microvalve Arrays Using a Photosensitive Composite

  • Tasuku Nakahara,
  • Junya Suzuki,
  • Yuki Hosokawa,
  • Fusao Shimokawa,
  • Hidetoshi Kotera and
  • Takaaki Suzuki

Microvalves play an important role in fluid control in micro total analysis systems (µTAS). Previous studies have reported complex fabrication processes for making microvalve elements in a channel. Hence, there is a need for a simpler microvalve fabr...

  • Review
  • Open Access
19 Citations
6,475 Views
15 Pages

Switching Magnetic Properties by a Mechanical Motion

  • Benjamin Doistau,
  • Lorien Benda,
  • Bernold Hasenknopf,
  • Valérie Marvaud and
  • Guillaume Vives

Switching magnetic properties have attracted a wide interest from inorganic chemist for the objectives of information storage and quantum computing at the molecular level. This review is focused on magnetic switches based on a mechanical motion, whic...

  • Article
  • Open Access
43 Citations
5,470 Views
21 Pages

Tuning the Structure and Properties of Lanthanoid Coordination Polymers with an Asymmetric Anilato Ligand

  • Patricia Gómez-Claramunt,
  • Samia Benmansour,
  • Antonio Hernández-Paredes,
  • Christian Cerezo-Navarrete,
  • Carlos Rodríguez-Fernández,
  • Josep Canet-Ferrer,
  • Andrés Cantarero and
  • Carlos J. Gómez-García

Five new anilato-based, Ln(III)-containing, layered compounds have been prepared with the asymmetric ligand chlorocyananilato (C6O4(CN)Cl)2−; different Ln(III) ions Ce(III), Pr(III), Yb(III), and Dy(III); and the three different solvents H2O, dimethy...

  • Communication
  • Open Access
5 Citations
4,335 Views
5 Pages

The combinational use of one-dimensional (1D) NMR-based screening techniques with 1H and 19F detections were applied to a human serum albumin–diflunisal complex. Since most NMR screening methods observe 1H spectra, the overlapped 1H signals were unav...

  • Feature Paper
  • Article
  • Open Access
5 Citations
4,659 Views
17 Pages

We have previously investigated the diverse levels of disruption caused by Zn(II)BLMs with different C-termini to DNA hairpins containing 5′-GC-3′ and 5′-GT-3′ binding sites. The results of this investigation indicated that both the DNA-binding site...

  • Article
  • Open Access
3 Citations
4,543 Views
13 Pages

In recent years, there has been a growing interest in fast acquisition and analysis of nuclear magnetic resonance (NMR) spectroscopy data for high throughput protein structure determination. Towards this end, rapid data collection techniques and meth...

  • Article
  • Open Access
4 Citations
4,528 Views
15 Pages

Calcium-Dependent Interaction Occurs between Slow Skeletal Myosin Binding Protein C and Calmodulin

  • Tzvia I. Springer,
  • Christian W. Johns,
  • Jana Cable,
  • Brian Leei Lin,
  • Sakthivel Sadayappan and
  • Natosha L. Finley

Myosin binding protein C (MyBP-C) is a multi-domain protein that participates in the regulation of muscle contraction through dynamic interactions with actin and myosin. Three primary isoforms of MyBP-C exist: cardiac (cMyBP-C), fast skeletal (fsMyBP...

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Magnetochemistry - ISSN 2312-7481