Literature DB >> 35663252

Multi-scale Monte Carlo simulations of gold nanoparticle-induced DNA damages for kilovoltage X-ray irradiation in a xenograft mouse model using TOPAS-nBio.

Alexander P Klapproth1,2, Jan Schuemann3,4, Stefan Stangl1, Tianwu Xie5,6, Wei Bo Li2, Gabriele Multhoff1.   

Abstract

Background: Gold nanoparticles (AuNPs) are considered as promising agents to increase the radiosensitivity of tumor cells. However, the biological mechanisms of radiation enhancement effects of AuNPs are still not well understood. We present a multi-scale Monte Carlo simulation framework within TOPAS-nBio to investigate the increase of DNA damage due to the presence of AuNPs in mouse tumor models.
Methods: A tumor was placed inside a voxel mouse model and irradiated with either 100 kVp or 200 kVp x-ray beams. Phase spaces were employed to transfer particles from the macroscopic (voxel) scale to the microscopic scale, which consists of a cell geometry including a detailed mouse DNA model. Radiosensitizing effects were calculated in the presence and absence of hybrid nanoparticles with a Fe2O3 core surrounded by a gold layer (AuFeNPs). To simulate DNA damage even for very small energy tracks, Geant4-DNA physics and chemistry models were used on microscopic scale.
Results: An AuFeNP induced enhancement of both dose and DNA strand breaks has been established for different scenarios. Produced chemical radicals including hydroxyl molecules, which were assumed to be responsible for DNA damage through chemical reactions, were found to be significantly increased. We further observed a dependency of the results on the location of the cells within the tumor for 200 kVp x-ray beams. Conclusions: Our multi-scale approach allows to study irradiation induced physical and chemical effects on cells. We showed a potential increase in cell radiosensitization caused by relatively small concentrations of AuFeNPs. Our new methodology allows the individual adjustment of parameters in each simulation step and therefore can be used for other studies investigating the radiosensitizing effects of AuFeNPs or AuNPs in living cells.

Entities:  

Year:  2021        PMID: 35663252      PMCID: PMC9165761          DOI: 10.1186/s12645-021-00099-3

Source DB:  PubMed          Journal:  Cancer Nanotechnol        ISSN: 1868-6958


  30 in total

1.  On the Monte Carlo simulation of electron transport in the sub-1 keV energy range.

Authors:  Rowan M Thomson; Iwan Kawrakow
Journal:  Med Phys       Date:  2011-08       Impact factor: 4.071

2.  Dependence of gold nanoparticle radiosensitization on cell geometry.

Authors:  Wonmo Sung; Sung-Joon Ye; Aimee L McNamara; Stephen J McMahon; James Hainfeld; Jungwook Shin; Henry M Smilowitz; Harald Paganetti; Jan Schuemann
Journal:  Nanoscale       Date:  2017-05-11       Impact factor: 7.790

3.  Geant4-DNA track-structure simulations for gold nanoparticles: The importance of electron discrete models in nanometer volumes.

Authors:  Dousatsu Sakata; Ioanna Kyriakou; Shogo Okada; Hoang N Tran; Nathanael Lampe; Susanna Guatelli; Marie-Claude Bordage; Vladimir Ivanchenko; Koichi Murakami; Takashi Sasaki; Dimitris Emfietzoglou; Sebastien Incerti
Journal:  Med Phys       Date:  2018-03-23       Impact factor: 4.071

4.  Monte Carlo-based evaluation of S-values in mouse models for positron-emitting radionuclides.

Authors:  Tianwu Xie; Habib Zaidi
Journal:  Phys Med Biol       Date:  2012-12-10       Impact factor: 3.609

5.  DNA strand breaking by the hydroxyl radical is governed by the accessible surface areas of the hydrogen atoms of the DNA backbone.

Authors:  B Balasubramanian; W K Pogozelski; T D Tullius
Journal:  Proc Natl Acad Sci U S A       Date:  1998-08-18       Impact factor: 11.205

Review 6.  Tumor heterogeneity: causes and consequences.

Authors:  Andriy Marusyk; Kornelia Polyak
Journal:  Biochim Biophys Acta       Date:  2009-11-18

7.  Comprehensive mapping of long-range interactions reveals folding principles of the human genome.

Authors:  Erez Lieberman-Aiden; Nynke L van Berkum; Louise Williams; Maxim Imakaev; Tobias Ragoczy; Agnes Telling; Ido Amit; Bryan R Lajoie; Peter J Sabo; Michael O Dorschner; Richard Sandstrom; Bradley Bernstein; M A Bender; Mark Groudine; Andreas Gnirke; John Stamatoyannopoulos; Leonid A Mirny; Eric S Lander; Job Dekker
Journal:  Science       Date:  2009-10-09       Impact factor: 47.728

8.  The Au clusters induce tumor cell apoptosis via specifically targeting thioredoxin reductase 1 (TrxR1) and suppressing its activity.

Authors:  Ru Liu; Yaling Wang; Qing Yuan; Deyi An; Jingyuan Li; Xueyun Gao
Journal:  Chem Commun (Camb)       Date:  2014-07-31       Impact factor: 6.222

9.  Simulation of early DNA damage after the irradiation of a fibroblast cell nucleus using Geant4-DNA.

Authors:  Sylvain Meylan; Sébastien Incerti; Mathieu Karamitros; Nicolas Tang; Marta Bueno; Isabelle Clairand; Carmen Villagrasa
Journal:  Sci Rep       Date:  2017-09-20       Impact factor: 4.379

10.  Targeting the cancer-associated fibroblasts as a treatment in triple-negative breast cancer.

Authors:  Ken Takai; Annie Le; Valerie M Weaver; Zena Werb
Journal:  Oncotarget       Date:  2016-12-13
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