Monte Carlo Simulations Reveal New Design Principles for Efficient Nanoradiosensitizers Based on Nanoscale Metal-Organic Frameworks

被引：21
|
作者：
Xu, Ziwan [1 ]
Ni, Kaiyuan [1 ]
Mao, Jianming [1 ]
Luo, Taokun [1 ]
Lin, Wenbin [1 ,2 ,3 ]
机构：
[1] Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA
[2] Univ Chicago, Dept Radiat & Cellular Oncol, Chicago, IL 60637 USA
[3] Univ Chicago, Ludwig Ctr Metastasis Res, Chicago, IL 60637 USA
来源：
ADVANCED MATERIALS | 2021年 / 33卷 / 40期
关键词：
metal-organic frameworks; Monte Carlo simulations; nanoparticles; radiosensitizers; X-RAY; GOLD NANOPARTICLES; PHOTODYNAMIC THERAPY; RADIOTHERAPY; DEPENDENCE; RETENTION; ZIRCONIUM; CELLS;
D O I：
10.1002/adma.202104249
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Nanoscale metal-organic frameworks (nMOFs) have recently been shown to provide better radiosensitization than solid nanoparticles (NPs) when excited with X-rays. Here, a Monte Carlo simulation of different radiosensitization effects by NPs and nMOFs using a lattice model consisting of 3D arrays of nanoscale secondary building units (SBUs) is reported. The simulation results reveal that lattices outperform solid NPs regardless of radiation sources or particle sizes via enhanced scatterings of photons and electrons within the lattices. Optimum dose enhancement can be achieved by tuning SBU size and inter-SBU distance.
引用
收藏
页数：9
相关论文
共 50 条
  • [21] Recent Approaches to Design Electrocatalysts Based on Metal-Organic Frameworks and Their Derivatives
    Liu, Juan
    Hou, Shujin
    Li, Weijin
    Bandarenka, Aliaksandr S.
    Fischer, Roland A.
    CHEMISTRY-AN ASIAN JOURNAL, 2019, 14 (20) : 3474 - 3501
  • [22] Monte Carlo simulations of the self-assembly of hierarchically organized metal-organic networks on solid surfaces
    Nieckarz, Karolina
    Szabelski, Pawel
    Nieckarz, Damian
    SURFACE SCIENCE, 2022, 719
  • [23] Ligand Functionalized Iron-Based Metal-Organic Frameworks for Efficient Electrocatalytic Oxygen Evolution
    Qi, Qianglong
    Tai, Jun
    Hu, Jue
    Zhang, Zihan
    Dai, Linqing
    Song, Hongchuan
    Shao, Minhua
    Zhang, Chengxu
    Zhang, Libo
    CHEMCATCHEM, 2021, 13 (23) : 4976 - 4984
  • [24] Modeling Gas Adsorption in Flexible Metal-Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes
    Rogge, Sven M. J.
    Goeminne, Ruben
    Demuynck, Ruben
    Gutierrez-Sevillano, Juan Jose
    Vandenbrande, Steven
    Vanduyfhuys, Louis
    Waroquier, Michel
    Verstraelen, Toon
    Van Speybroeck, Veronique
    ADVANCED THEORY AND SIMULATIONS, 2019, 2 (04)
  • [25] Design, synthesis and applications of functional zirconium-based metal-organic frameworks
    Le Shi
    Zhenning Yang
    Fanrui Sha
    Zhijie Chen
    Science China Chemistry, 2023, 66 : 3383 - 3397
  • [26] Design, synthesis and applications of functional zirconium-based metal-organic frameworks
    Shi, Le
    Yang, Zhenning
    Sha, Fanrui
    Chen, Zhijie
    SCIENCE CHINA-CHEMISTRY, 2023, 66 (12) : 3383 - 3397
  • [27] An efficient ratiometric fluorescence sensor based on metal-organic frameworks and quantum dots for highly selective detection of 6-mercaptopurine
    Jin, Meng
    Mou, Zhao-Li
    Zhang, Rui-Ling
    Liang, Si-Si
    Zhang, Zhi-Qi
    BIOSENSORS & BIOELECTRONICS, 2017, 91 : 162 - 168
  • [28] Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding
    Gargari, Masoumeh Servati
    Stilinovic, Vladimir
    Bauza, Antonio
    Frontera, Antonio
    McArdle, Patrick
    Van Derveer, Donald
    Ng, Seik Weng
    Mahmoudi, Ghodrat
    CHEMISTRY-A EUROPEAN JOURNAL, 2015, 21 (49) : 17951 - 17958
  • [29] Adsorption of CO2 in metal organic frameworks of different metal centres:: Grand Canonical Monte Carlo simulations compared to experiments
    Ramsahye, Naseem A.
    Maurin, Guillaume
    Bourrelly, Sandrine
    Llewellyn, Philip L.
    Devic, Thomas
    Serre, Christian
    Loiseau, Thierry
    Ferey, Gerard
    ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2007, 13 (5-6): : 461 - 467
  • [30] Adsorption of CO2 in metal organic frameworks of different metal centres: Grand Canonical Monte Carlo simulations compared to experiments
    Naseem A. Ramsahye
    Guillaume Maurin
    Sandrine Bourrelly
    Philip L. Llewellyn
    Thomas Devic
    Christian Serre
    Thierry Loiseau
    Gerard Ferey
    Adsorption, 2007, 13 : 461 - 467
12345