Computational Investigation of the Interaction of Poly-chloride Biphenyl (PCB-169) with Carbon Nanoparticles

References

• J. K. Igbo, L. O. Chukwu, and E. O. Oyewo, “Assessment of Polychlorinated Biphenyls (PCBs) in Water, Sediments and Biota from E-waste Dumpsites in Lagos and Osun States, South-West, Nigeria,” Journal of Applied Sciences and Environmental Management 2 (2018): 459–64.
   Google Scholar
• L. G. Jiang, L. Y. Cheng, S. H. Kong, Y. Yang, Y. J. Shen, C. Chen, X. H. Deng, S. Z. Liu, and L. Chao, “Toxic Effects of Polychlorinated Biphenyls (Aroclor 1254) on Human Sperm Motility,” Asian Journal of Andrology 19 (2017): 561–66.
   PubMed Web of Science ®Google Scholar
• S. Subramanian, J. L. Schnoor, and B. V. Aken, “Effects of Polychlorinated Biphenyls (PCBs) and Their Hydroxylated Metabolites (OH-PCBs) on Arabidopsis thaliana,” Environmental Science and Technology 51 (2017): 7263–70.
   PubMed Web of Science ®Google Scholar
• L. Mahdavian, “Thermodynamic Study of Polychlorinated Biphenyls (PCBs) Passing through SWNT and Their Removal from Environment,” Journal of Physical and Theoretical Chemistry of Islamic Azad University of Iran 7 (2010): 1–8.
   Google Scholar
• L. Mahdavian, and S. M. Mousavi, “Sensitivity Investigation of SW-B80N80 Nanotube to Polychlorinated Biphenyl-153 (PCB-153): DFT Methods,” Polycyclic Aromatic Compounds 38 (2018): 85–91.
   Web of Science ®Google Scholar
• R. Ahmadi, and M. Pirahan-Foroush, “Fullerene Effect on Chemical Properties of Antihypertensive Clonidine in Water Phase,” Annals of Military & Health Sciences Research (AMHSR) 12 (2014): 39–43.
   Google Scholar
• B. Fimm, W. Sturm, A. Esser, T. Schettgen, K. Willmes, J. Lang, P. M. Gaum, and T. Kraus, “Neuropsychological Effects of Occupational Exposure to Polychlorinated Biphenyls,” Neurotoxicology 63 (2017): 106–119.
   PubMed Web of Science ®Google Scholar
• M. Thilagavathi, Sh. Arivoli, and V. Vijayakumaran. “Adsorption of Malachite Green from Waste Water Using Prosopis juliflora Bark Carbon,” Kuwait Journal of Science 42 (2015): 120–133.
   Web of Science ®Google Scholar
• S. Kalay, Z. Yilmaz, O. Sen, M. Emanet, E. Kazanc, and M. Çulha, “Synthesis of Boron Nitride Nanotubes and Their Applications,” Beilstein Journal of Nanotechnology 6 (2015): 84–102.
   PubMed Web of Science ®Google Scholar
• D. C. Young, Appendix A. A.2.3 GAMESS. Computational Chemistry: A Practical Guide for Applying Techniques to RealWorld Problems (New York: Wiley-Interscience, 2001), 335. doi:10.1002/0471220655.ISBN978-0-471–33368-5.
   Google Scholar
• M. Fu, H. Xing, X. Chen, R. Zhao, C. Zhi, and C. L. Wu, “Boron Nitride Nanotubes as Novel Sorbent for Solid-Phase Microextraction of Polycyclic Aromatic Hydrocarbons in Environmental Water 170 Samples,” Analytical and Bioanalytical Chemistry 406 (2014): 5751–4.
   PubMed Web of Science ®Google Scholar
• I. Velzeboer, C. J. A. F. Kwadijk, and A. A. Koelmans, “Strong Sorption of PCBs to Nanoplastics, Microplastics, Carbon Nanotubes, and Fullerenes,” Environmental Science and Technology 48 (2014): 4869–76.
   PubMed Web of Science ®Google Scholar
• L. Mahdavian, and S. E. Mousavi, “Diameter of Single Walled Carbon Nanotubes (SWCNTs) as an Effective Factor in the Detection and Degradation of PCBs,” Polycyclic Aromatic Compounds 2016. doi:10.1080/10406638.2016.1255235. Online.
   Web of Science ®Google Scholar
• H. Y. Kaw, and N. Kannan, “A Review on Polychlorinated Biphenyls (PCBs) and Polybrominated Diphenyl Ethers (PBDEs) in South Asia with a Focus on Malaysia,” Reviews of Environmental Contamination and Toxicology 242 (2017): 153–181.
   PubMed Web of Science ®Google Scholar
• S. E. Mousavia, L. Mahdavian, and A. Khodabakhshi, “Thermodynamic Study of PCB-153 Passing into Single Walled Carbon Nanotube (8, 8),” Russian Journal of Applied Chemistry 88 (2015): 1528–31.
   Web of Science ®Google Scholar
• L. Mahdavian, “Simulation and Calculation of 2, 4, 5, 2′, 4′, 5′-hexachlorobiphenyl Passing from the Central Axis of Single Walled Carbon Nanotube,” Kuwait Journal of Science 44 (2017): 94–104.
   Web of Science ®Google Scholar
• L. Tarko, “A Selection Method for Molecular Descriptors and QSPR Equations,” MATCH Communications in Mathematical and in Computer Chemistry 77 (2017): 245–72.
   Web of Science ®Google Scholar
• L. Mahdavian, “DFT Study to Reduce TCDD by B12N12 Nano-cage: A Comparison of Calculating Spectroscopic Properties with NMR and NBO,” Polycyclic Aromatic Compounds 38 (2018): 443–54.
   Web of Science ®Google Scholar
• M. Rezaei-Sameti, and M. Rakhshi, “The Effects of Na & Mg Adsorption on the Electrical Properties of Si CNTs: A DFT Study,” Journal of Physical and Theoretical Chemistry of Islamic Azad University of Iran 13 (2016): 259–70.
   Google Scholar
• A. M. Khudhair, F. N. Ajeel, and M. H. Mohammed, “DFT Investigations for Sensing Capability of a Single-walled Carbon Nanotube for Adsorptions H2, N2, O2 and CO Molecules,” International Journal of Nano Dimension 8 (2017): 82–88.
   Web of Science ®Google Scholar