A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles

Overview

Journal Materials (Basel)

Publisher MDPI

Date 2021 Jul 2

PMID 34203371

Citations 3

Authors

Barbara Farkas

Nora H de Leeuw

Affiliations

Soon will be listed here.

Abstract

The focus of this review is on the physical and magnetic properties that are related to the efficiency of monometallic magnetic nanoparticles used in biomedical applications, such as magnetic resonance imaging (MRI) or magnetic nanoparticle hyperthermia, and how to model these by theoretical methods, where the discussion is based on the example of cobalt nanoparticles. Different simulation systems (cluster, extended slab, and nanoparticle models) are critically appraised for their efficacy in the determination of reactivity, magnetic behaviour, and ligand-induced modifications of relevant properties. Simulations of the effects of nanoscale alloying with other metallic phases are also briefly reviewed.

Citing Articles

Nanomaterial-based detection of circulating tumor cells and circulating cancer stem cells for cancer immunotherapy.

Yun Y, Kim S, Lee S, Cho H, Choi J Nano Converg. 2024; 11(1):56.

PMID: 39671082 PMC: 11645384. DOI: 10.1186/s40580-024-00466-x.

Alginate-Derivative Encapsulated Carbon Coated Manganese-Ferrite Nanodots for Multimodal Medical Imaging.

Gowtham P, Girigoswami K, Pallavi P, Harini K, Gurubharath I, Girigoswami A Pharmaceutics. 2022; 14(12).

PMID: 36559045 PMC: 9782169. DOI: 10.3390/pharmaceutics14122550.

Investigation on Green Synthesis, Biocompatibility, and Antibacterial Activity of Silver Nanoparticles Prepared Using .

Florkiewicz W, Pluta K, Malina D, Rudnicka K, Zywicka A, Duarte Guigou M Materials (Basel). 2021; 14(17).

PMID: 34501114 PMC: 8433835. DOI: 10.3390/ma14175028.

References

Entel P, Gruner M . Large-scale ab initio simulations of binary transition metal clusters for storage media materials. J Phys Condens Matter. 2011; 21(6):064228. DOI: 10.1088/0953-8984/21/6/064228. View

Moreno-Romero J, Segura S, Mascaro Jr J, Cowper S, Julia M, Poch E . Nephrogenic systemic fibrosis: a case series suggesting gadolinium as a possible aetiological factor. Br J Dermatol. 2007; 157(4):783-7. DOI: 10.1111/j.1365-2133.2007.08067.x. View

Fuchigami T, Kawamura R, Kitamoto Y, Nakagawa M, Namiki Y . A magnetically guided anti-cancer drug delivery system using porous FePt capsules. Biomaterials. 2011; 33(5):1682-7. DOI: 10.1016/j.biomaterials.2011.11.016. View

Kekalo K, Baker I, Meyers R, Shyong J . Magnetic Nanoparticles with High Specific Absorption Rate at Low Alternating Magnetic Field. Nano Life. 2016; 5(2). PMC: 4753075. DOI: 10.1142/S1793984415500026. View

G Verga L, Aarons J, Sarwar M, Thompsett D, Russell A, Skylaris C . DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects. Faraday Discuss. 2018; 208(0):497-522. DOI: 10.1039/c7fd00218a. View

Di Corato R, Bealle G, Kolosnjaj-Tabi J, Espinosa A, Clement O, Silva A . Combining magnetic hyperthermia and photodynamic therapy for tumor ablation with photoresponsive magnetic liposomes. ACS Nano. 2015; 9(3):2904-16. DOI: 10.1021/nn506949t. View

Grochola G, Russo S, Snook I . On morphologies of gold nanoparticles grown from molecular dynamics simulation. J Chem Phys. 2007; 126(16):164707. DOI: 10.1063/1.2713103. View

Lima-Tenorio M, Pineda E, Ahmad N, Fessi H, Elaissari A . Magnetic nanoparticles: In vivo cancer diagnosis and therapy. Int J Pharm. 2015; 493(1-2):313-27. DOI: 10.1016/j.ijpharm.2015.07.059. View

Balan A, Derlet P, Fraile Rodriguez A, Bansmann J, Yanes R, Nowak U . Direct observation of magnetic metastability in individual iron nanoparticles. Phys Rev Lett. 2014; 112(10):107201. DOI: 10.1103/PhysRevLett.112.107201. View

10.

Kim J, Wang J, Kim H, Bae S . Concentration-dependent oscillation of specific loss power in magnetic nanofluid hyperthermia. Sci Rep. 2021; 11(1):733. PMC: 7804452. DOI: 10.1038/s41598-020-79871-1. View

11.

Felder R, Parker J . Principles of nuclear magnetic resonance imaging. Med Instrum. 1985; 19(6):248-56. View

12.

Grover V, Tognarelli J, Crossey M, Cox I, Taylor-Robinson S, McPhail M . Magnetic Resonance Imaging: Principles and Techniques: Lessons for Clinicians. J Clin Exp Hepatol. 2015; 5(3):246-55. PMC: 4632105. DOI: 10.1016/j.jceh.2015.08.001. View

13.

Yan Z, Taylor M, Mascareno A, Mpourmpakis G . Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction. Nano Lett. 2018; 18(4):2696-2704. DOI: 10.1021/acs.nanolett.8b00670. View

14.

Zamudio-Bayer V, Hirsch K, Langenberg A, Lawicki A, Terasaki A, von Issendorff B . Large orbital magnetic moments of small, free cobalt cluster ions Co[Formula: see text] with n [Formula: see text]. J Phys Condens Matter. 2018; 30(46):464002. DOI: 10.1088/1361-648X/aae54a. View

15.

Daalderop , Kelly , den Broeder FJ . Prediction and confirmation of perpendicular magnetic anisotropy in Co/Ni multilayers. Phys Rev Lett. 1992; 68(5):682-685. DOI: 10.1103/PhysRevLett.68.682. View

16.

Liu Y, Lv X, Liu H, Zhou Z, Huang J, Lei S . Porous gold nanocluster-decorated manganese monoxide nanocomposites for microenvironment-activatable MR/photoacoustic/CT tumor imaging. Nanoscale. 2018; 10(8):3631-3638. DOI: 10.1039/c7nr08535d. View

17.

Chen , Sorensen , Klabunde , Hadjipanayis . Enhanced magnetization of nanoscale colloidal cobalt particles. Phys Rev B Condens Matter. 1995; 51(17):11527-11532. DOI: 10.1103/physrevb.51.11527. View

18.

Kim T, Momin E, Choi J, Yuan K, Zaidi H, Kim J . Mesoporous silica-coated hollow manganese oxide nanoparticles as positive T1 contrast agents for labeling and MRI tracking of adipose-derived mesenchymal stem cells. J Am Chem Soc. 2011; 133(9):2955-61. PMC: 3048840. DOI: 10.1021/ja1084095. View

19.

Maier-Hauff K, Ulrich F, Nestler D, Niehoff H, Wust P, Thiesen B . Efficacy and safety of intratumoral thermotherapy using magnetic iron-oxide nanoparticles combined with external beam radiotherapy on patients with recurrent glioblastoma multiforme. J Neurooncol. 2010; 103(2):317-24. PMC: 3097345. DOI: 10.1007/s11060-010-0389-0. View

20.

Mourdikoudis S, Pallares R, Thanh N . Characterization techniques for nanoparticles: comparison and complementarity upon studying nanoparticle properties. Nanoscale. 2018; 10(27):12871-12934. DOI: 10.1039/c8nr02278j. View