[1] T. Xu, N. Zhang, H.L. Nichols, D. Shi, X. Wen, Modification of nanostructured materials for biomedical applications, Materials Science and Engineering: C 27, 579-594, 2007.
[2] F. Danhier, E. Ansorena, J.M. Silva, R. Coco, A. Le Breton, V. Préat, PLGA-based nanoparticles: an overview of biomedical applications, Journal of controlled release 161, 505-522, 2012.
[3] Z. Liu, M. Winters, M. Holodniy, H. Dai, siRNA delivery into human T cells and primary cells with carbon‐nanotube transporters, Angewandte Chemie International Edition 46 ,2023-2027, 2007.
[4] M.R. McDevitt, D. Chattopadhyay, B.J. Kappel, J.S. Jaggi, S.R. Schiffman, C. Antczak, J.T. Njardarson, R. Brentjens, D.A. Scheinberg, Tumor targeting with antibody-functionalized, radiolabeled carbon nanotubes, Journal of Nuclear Medicine 48 , 1180-1189, 2007.
[5] M. Mohajeri, B. Behnam, A. Sahebkar, Biomedical applications of carbon nanomaterials: Drug and gene delivery potentials, Journal of cellular physiology 234 , 298-319, 2019.
[6] S. Ketabi, S.M. Hashemianzadeh, M. MoghimiWaskasi, Study of DNA base-Li doped SiC nanotubes in aqueous solutions: a computer simulation study, Journal of molecular modeling 19, 1605-1615, 2013.
[7] R.P. Feazell, N. Nakayama-Ratchford, H. Dai, S.J. Lippard, Soluble single-walled carbon nanotubes as longboat delivery systems for platinum (IV) anticancer drug design, Journal of the American Chemical Society 129, 8438-8439, 2007.
[8] S.K.S. Kushwaha, S. Ghoshal, A.K. Rai, S. Singh, Carbon nanotubes as a novel drug delivery system for anticancer therapy: a review, Brazilian Journal of Pharmaceutical Sciences 49, 629-643, 2013.
[9] K. Kostarelos, L. Lacerda, G. Pastorin, W. Wu, S. Wieckowski, J. Luangsivilay, S. Godefroy, D. Pantarotto, J.-P. Briand, S. Muller, Cellular uptake of functionalized carbon nanotubes is independent of functional group and cell type, Nature nanotechnology 2, 108-113, 2007.
[10] W. Yang, P. Thordarson, J.J. Gooding, S.P. Ringer, F. Braet, Carbon nanotubes for biological and biomedical applications, Nanotechnology 18, 412001,2007.
[11] S. Hampel, D. Kunze, D. Haase, K. Krämer, M. Rauschenbach, M. Ritschel, A. Leonhardt, J. Thomas, S. Oswald, V. Hoffmann, Carbon nanotubes filled with a chemotherapeutic agent: a nanocarrier mediates inhibition of tumor cell growth, (2008).
[12] Z. Liu, A.C. Fan, K. Rakhra, S. Sherlock, A. Goodwin, X. Chen, Q. Yang, D.W. Felsher, H. Dai, Supramolecular stacking of doxorubicin on carbon nanotubes for in vivo cancer therapy, Angewandte Chemie International Edition 48, 7668-7672, 2009.
[13] C. Samorì, H. Ali-Boucetta, R. Sainz, C. Guo, F.M. Toma, C. Fabbro, T. Da Ros, M. Prato, K. Kostarelos, A. Bianco, Enhanced anticancer activity of multi-walled carbon nanotube–methotrexate conjugates using cleavable linkers, Chemical Communications 46 , 1494-1496, 2010.
[14] S. Roosta, S.M. Hashemianzadeh, S. Ketabi, Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation, Materials Science and Engineering: C 67, 98-103, 2016.
[15] S. Ketabi, L. Rahmani, Carbon nanotube as a carrier in drug delivery system for carnosine dipeptide: A computer simulation study, Materials Science and Engineering: C 73, 173-181, 2017.
[16] N. Ershadi, R. Safaiee, M. Golshan, Functionalized (4, 0) or (8, 0) SWCNT as novel carriers of the anticancer drug 5-FU; a first-principle investigation, Applied Surface Science 536 , 147718, 2021.
[17] V. Moradi, S. Ketabi, M. Samadizadeh, E. Konoz, N. Masnabadi, Potentiality of carbon nanotube to encapsulate some alkylating agent anticancer drugs: a molecular simulation study, Structural Chemistry 32 ,869-877, 2021.
[18] S. Karimzadeh, B. Safaei, T.-C. Jen, Theorical investigation of adsorption mechanism of doxorubicin anticancer drug on the pristine and functionalized single-walled carbon nanotube surface as a drug delivery vehicle: A DFT study, Journal of Molecular Liquids 322,114890, 2021.
[19] Y. Ketabi, S. Ketabi, Simulation study of Li doped carbon nanotube as a carrier system for Aspirin in aqueous media, Nano Biomed. Eng 7, 20-27, 2015.
[20] G. Petersson, M.A. Al‐Laham, A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms, The Journal of chemical physics 94, 6081-6090, 1991.
[21] M. Frisch, G. Trucks, H. Schlegel, G. Scuseria, M. Robb, J. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. Petersson, Gaussian 09; Gaussian, Inc, Wallingford, CT 32 ,5648-5652, 2009.
[22] N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, E. Teller, Equation of state calculations by fast computing machines, The journal of chemical physics 21, 1087-1092, 1953.
[23] A.K. Rappé, C.J. Casewit, K. Colwell, W.A. Goddard III, W.M. Skiff, UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations, Journal of the American chemical society 114,10024-10035, 1992.
[24] J.-P. Hansen, I.R. McDonald, Theory of simple liquids: with applications to soft matter, Academic press,2013.
[25] W.L. Jorgensen, Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water, J. Am. Chem. Soc.;(United States) 103,1981.
[26] R.W. Zwanzig, High‐temperature equation of state by a perturbation method. I. Nonpolar gases, The Journal of Chemical Physics 22, 1420-1426, 1954.