DFT Study on the Adsorption of Drug Cisplatin onto Carbon Nanotubes

被引：3
|
作者：
Badiee, M. S.
Morsali, A. [1 ]
Beyramabadi, S. A.
机构：
[1] Islamic Azad Univ, Mashhad Branch, Dept Chem, Mashhad, Iran
来源：
ORIENTAL JOURNAL OF CHEMISTRY | 2015年 / 31卷 / 04期
关键词：
Cisplatin; Pristine carbon nanotubes; Drug delivery; Quantum molecular descriptors;
D O I：
10.13005/ojc/310425
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
In this work, using quantum mechanics, the interaction of drug cisplatin (CPT) with (5, 5) pristine single wall carbon nanotubes (SWNT) have been studied. All of the calculations have been performed using a hybrid density functional method (B3LYP) in solution phases. Three modes of noncovalent and covalent interactions of cisplatin onto pristine SWNT were investigated. Quantum molecular descriptors and frontier orbital analysis in the drug-nanotube systems were studied. It was found that binding of cisplatin with pristine (CPT/NT) in solution phase is thermodynamically favorable.
引用
收藏
页码：2053 / 2057
页数：5
相关论文
共 50 条
  • [41] ADSORPTION OF AMMONIUM IONS ONTO MULTI-WALLED CARBON NANOTUBES
    Sadegh, Hamidreza
    Ali, Gomaa A. M.
    Abbasi, Zeynab
    Nadagouda, Mallikarjuna N.
    STUDIA UNIVERSITATIS BABES-BOLYAI CHEMIA, 2017, 62 (02): : 233 - 245
  • [42] Adsorption of perchlorate onto raw and oxidized carbon nanotubes in aqueous solution
    Fang, Qile
    Chen, Baoliang
    CARBON, 2012, 50 (06) : 2209 - 2219
  • [43] Influence of surface oxides on the adsorption of naphthalene onto multiwalled carbon nanotubes
    Cho, Hyun-Hee
    Smith, Billy A.
    Wnuk, Joshua D.
    Fairbrother, D. Howard
    Ball, William P.
    ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2008, 42 (08) : 2899 - 2905
  • [44] Adsorption of phenol onto chitosan hydrogel scaffold modified with carbon nanotubes
    Alves, Daniele C. S.
    Goncalves, Janaina O.
    Coseglio, Bruna B.
    Burgo, Thiago A. L.
    Dotto, Guilherme L.
    Pinto, Luiz A. A.
    Cadaval Jr, Tito R. S.
    JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2019, 7 (06):
  • [45] DFT study of cisplatin@carbon nanohorns complexes
    De Souza, Leonardo A.
    Nogueira, Camila A. S.
    Lopes, Juliana F.
    Dos Santos, Helio F.
    De Almeida, Wagner B.
    JOURNAL OF INORGANIC BIOCHEMISTRY, 2013, 129 : 71 - 83
  • [46] Effects of Solution Chemistry on the Adsorption of Ibuprofen and Triclosan onto Carbon Nanotubes
    Cho, Hyun-Hee
    Huang, Haiou
    Schwab, Kellogg
    LANGMUIR, 2011, 27 (21) : 12960 - 12967
  • [47] Individual and competitive adsorption of phenol and nickel onto multiwalled carbon nanotubes
    Abdel-Ghani, Nour T.
    El-Chaghaby, Ghadir A.
    Helal, Farag S.
    JOURNAL OF ADVANCED RESEARCH, 2015, 6 (03) : 405 - 415
  • [48] Theoretical investigation of methane adsorption onto boron nitride and carbon nanotubes
    Ganji, Masoud Darvish
    Mirnejad, Amir
    Najafi, Ali
    SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2010, 11 (04)
  • [49] Adsorption of reactive dye onto carbon nanotubes: Equilibrium, kinetics and thermodynamics
    Wu, Chung-Hsin
    JOURNAL OF HAZARDOUS MATERIALS, 2007, 144 (1-2) : 93 - 100
  • [50] Adsorption and diffusion of the antiparkinsonian drug amantadine in carbon nanotubes
    Hicks, E.
    Desgranges, C.
    Delhommelle, J.
    MOLECULAR SIMULATION, 2014, 40 (7-9) : 656 - 663
12345