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Magnetochemistry, Volume 9, Issue 4

April 2023 - 24 articles

Cover Story: An improved approach to obtaining reliable NMR spectroscopic parameters for platinum complexes is presented. By developing and validating an AMBER force field for such complexes conjugated with AHBT, molecular dynamics simulations were carried out in enzymatic and aqueous environments, and strategies to select the best amino acid residues and water molecules were proposed. The results obtained show that this methodology allows for the acquisition of more reliable chemical shifts and spectroscopic probes, with significant differences observed between these two surroundings. View this paper
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Articles (24)

  • Perspective
  • Open Access
9 Citations
9,673 Views
11 Pages

MRI Quantitative Evaluation of Muscle Fatty Infiltration

  • Vito Chianca,
  • Bottino Vincenzo,
  • Renato Cuocolo,
  • Marcello Zappia,
  • Salvatore Guarino,
  • Francesco Di Pietto and
  • Filippo Del Grande

Magnetic resonance imaging (MRI) is the gold-standard technique for evaluating muscle fatty infiltration and muscle atrophy due to its high contrast resolution. It can differentiate muscular from adipose tissue accurately. MRI can also quantify the a...

  • Review
  • Open Access
140 Citations
16,360 Views
32 Pages

Recent Advances of Magnetite (Fe3O4)-Based Magnetic Materials in Catalytic Applications

  • Mingyue Liu,
  • Yuyuan Ye,
  • Jiamin Ye,
  • Ting Gao,
  • Dehua Wang,
  • Gang Chen and
  • Zhenjun Song

Catalysts play a critical role in producing most industrial chemicals and are essential to environmental remediation. Under the demands of sustainable development, environment protection, and cost-related factors, it has been suggested that catalysts...

  • Feature Paper
  • Article
  • Open Access
7 Citations
2,693 Views
10 Pages

The intrinsic magnetic properties (magnetic moments, magneto-crystalline anisotropy, Curie temperatures) of the (Fe1−xMx)2B alloys have been calculated using the spin-polarized relativistic Korringa–Kohn–Rostoker (SPR-KKR) band stru...

  • Article
  • Open Access
8 Citations
3,368 Views
14 Pages

Structural, Elastic, Electronic, and Magnetic Properties of Full-Heusler Alloys Sc2TiAl and Sc2TiSi Using the FP-LAPW Method

  • Khadejah M. Al-Masri,
  • Mohammed S. Abu-Jafar,
  • Mahmoud Farout,
  • Diana Dahliah,
  • Ahmad A. Mousa,
  • Said M. Azar and
  • Rabah Khenata

In this article, the structural, elastic, electronic, and magnetic characteristics of both regular and inverse Heusler alloys, Sc2TiAl and Sc2TiSi, were investigated using a full-potential, linearized augmented plane-wave (FP-LAPW) method, within the...

  • Article
  • Open Access
4 Citations
2,748 Views
13 Pages

Study of the Effects of Er Doping on the Physical Properties of CdSe Thin Films

  • Yuliana de Jesús Acosta-Silva,
  • Luis A. Godínez,
  • Manuel Toledano-Ayala,
  • Rosendo Lozada-Morales,
  • Orlando Zelaya-Angel and
  • Arturo Méndez-López

Erbium-doped cadmium selenide thin films grown on 7059 Corning glass by means of a chemical bath at 80 °C were prepared. Doping was performed by adding an aqueous Er(NO3)33·H2O dilution to the CdSe growth solution. The volume of Er doping...

  • Article
  • Open Access
19 Citations
3,977 Views
16 Pages

Nylon-6-Coated Doxorubicin-Loaded Magnetic Nanoparticles and Nanocapsules for Cancer Treatment

  • Ekaterina Kovrigina,
  • Yuliya Poletaeva,
  • Yanfang Zheng,
  • Alexey Chubarov and
  • Elena Dmitrienko

Nanoplatforms used for the loading of anticancer drugs constitute a promising approach to cancer treatment and reducing the side effects of these drugs. Among the cutting-edge systems used in this area are magnetic nanocomposites (MNCs) and nanocapsu...

  • Article
  • Open Access
2 Citations
2,450 Views
11 Pages

Zero-Field Slow Magnetic Relaxation in Binuclear Dy Acetylacetonate Complex with Pyridine-N-Oxide

  • Valeriya P. Shtefanets,
  • Gennady V. Shilov,
  • Denis V. Korchagin,
  • Elena A. Yureva,
  • Alexei I. Dmitriev,
  • Mikhail V. Zhidkov,
  • Roman B. Morgunov,
  • Nataliya A. Sanina and
  • Sergey M. Aldoshin

A new complex [Dy(C5H7O2)3(C5H5NO)]2·2CHCl3 (1) has been synthesized by the reaction of pyridine-N-oxide with dysprosium (III) acetylacetonate in an n-heptane/chloroform mixture (1/20). X-ray data show that each dysprosium atom is chelate-like...

  • Communication
  • Open Access
2 Citations
2,613 Views
8 Pages

An Optical Spectroscopic Study of Air-Degradation of van der Waals Magnetic Semiconductor Cr2Ge2Te6

  • Woye Pei,
  • Zhiren Xiong,
  • Yingjia Liu,
  • Xingguang Wu,
  • Zheng Vitto Han,
  • Siwen Zhao and
  • Tongyao Zhang

Two-dimensional (2D) magnetic semiconductors exhibit unique combination of electronic and magnetic properties, holding great promise in potential applications such as spintronics and magneto-optics. However, many of them are air-sensitive, and their...

  • Article
  • Open Access
2 Citations
2,048 Views
14 Pages

The microstructure and magnetic properties of methane (CH4) heat-treated Sr-hexaferrite powders during the re-calcination process were investigated and compared with the magnetic properties of conventionally synthesized Sr-hexaferrite powder. Gradual...

  • Feature Paper
  • Article
  • Open Access
12 Citations
3,870 Views
14 Pages

In this work, 242 NMR spin–spin coupling constants (SSCC) in 20 molecules are calculated, either with correlated wave function methods, SOPPA and HRPA(D), or with density functional theory based on the B3LYP, BHandH, or PBE0 functionals. The ca...

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Magnetochemistry - ISSN 2312-7481