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Year 2017, Volume: 18 Issue: 2, 398 - 402, 30.06.2017

Metin Bilge

https://doi.org/10.18038/aubtda.281646

Abstract

References

  • [1] Singh, R, Lillard, JW. Nanoparticle-based targeted drug delivery, Exp. Mol. Pathol. 86:215-223, 2009.
  • [2] Shi, J, Zhang, H, Wang, L, Li, L, Wang, H, Wang, Z, Li, Z, Chen, C, Hou, L, Zhang, C, Zhang, Z. PEI-derivatized fullerene drug delivery using folate as a homing device targeting to tumor, Biomaterials 34: 251-261, 2013.
  • [3] Bakry, R, Vallant, RM, Najam-ul-Haq, M, Rainer, M, Szabo, Z, Huck, ChW, Bonn, G.K. Medicinal applications of fullerenes, Int. J. Nanomed. 2:639-649, 2007.
  • [4] Flick, EW. Industrial Solvents Handbook (5th ed.), Park Ridge, NJ: William Andrew. 695, 1998.
  • [5] Gilbert, AM, Antane MM, Argentieri TM, Butera JA, Francisco GD, Freeden C, Gundersen EG, Graceffa RF, Herbst D, Hirth BH, Lennox JR, McFarlane G, Norton NW, Quagliato D, Sheldon JH, Warga D, Wojdan A, Woods M. Design and SAR of novel potassium channel openers targeted for urge urinary incontinence. 2. Selective and potent benzylamino cyclobutenediones, J. Med. Chem. 43:1203-1214, 2000.
  • [6] Qiao, JL, Gong QJ, Du LM, Jin, WJ. Spectroscopic study on the photoinduced reaction of fullerene C60 with aliphatic amines and its dynamics — strong short wavelength fluorescence from the adducts. Spectrochim. Acta A 57:17-25, 2001.
  • [7] Shi, J, Wang, B, Wang, L, Lu, T, Fu, Y, Zhang, H, Zhang, Z. Fullerene (C60)-based tumor-targeting nanoparticles with off-on state for enhanced treatment of cancer, J. Control. Release 235:245–258, 2016.
  • [8] Ray, A, Kundu, K, Kundu, K, Nayak, SK, Bhattacharya, S. Spectroscopic and theoretical insights on non-covalent interaction between fullerenes and xantheno-linked benzo-15-crown-5 receptor in solution, J. Mol. Liq. 220: 92–100, 2016.
  • [9] Parlak, C., Alver, Ö, Ramasami, P. Interaction mechanisms and structural properties of B-, Si-doped C60 fullerenes with 1-formylpiperazineMain Group Met. Chem. 39:145-150, 2016.
  • [10] Bashiri, S, Vessally, E, Bekhradnia, A, Hosseinian, A, Edjlali, L. Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies, Vacuum 136:156-162, 2017.
  • [11] Frisch, MJ, et al. Gaussian 09, Revision A. 1, Gaussian, Inc, Wallingford, CT; 2009.
  • [12] Lu, T, Chen, F. Multiwfn: A multifunctional wavefunction analyzer. J. Comput. Chem. 33:580-592, 2012.
  • [13] Bhushan, B. Principles and Applications of Tribology, Wiley-Interscience, Ohio, 1 ed., 1999.
  • [14] K. Oura, V.G. Lifshits, A.A. Saranin, A.V. Zotov, M. Katayama, Surface Science, An Introduction. Berlin: Springer, 2003.
  • [15] Hassani, F, Tavakol, H. A DFT, AIM and NBO study of adsorption and chemical sensing of iodine by S-doped fullerenes, Sensor Actuat. B Chem. 196: 624–630, 2014.
  • [16] Mahdavifar, Z, Poulad, M. Theoretical prediction of ozone sensing using pristine and endohedral metalloboron B 80 fullerenes, Sensor Actuat. B Chem. 205:26–38, 2014.

ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE

Year 2017, Volume: 18 Issue: 2, 398 - 402, 30.06.2017

Metin Bilge

https://doi.org/10.18038/aubtda.281646

Abstract

Interaction mechanisms of doped fullerenes and various types of
molecules have been paid increasing attention. In this research, absorption
mechanism, structural and electronic properties, natural bond orbital analysis between
pentylamine (pa) and doped (Si or Al) C60 fullerenes were investigated
by quantum mechanical calculations. Bond order and binding energy results
suggest that a chemisorption occur between nitrogen atom of pa and silicon/aluminum
atoms of fullerene cages, examined complexes yielded with higher binding energy
in water media and the system of AlC59…pa in water was found as
having the highest binding energy.

Keywords

Adsorption mechanism Doped C60 fullerene NBO DFT

References

  • [1] Singh, R, Lillard, JW. Nanoparticle-based targeted drug delivery, Exp. Mol. Pathol. 86:215-223, 2009.
  • [2] Shi, J, Zhang, H, Wang, L, Li, L, Wang, H, Wang, Z, Li, Z, Chen, C, Hou, L, Zhang, C, Zhang, Z. PEI-derivatized fullerene drug delivery using folate as a homing device targeting to tumor, Biomaterials 34: 251-261, 2013.
  • [3] Bakry, R, Vallant, RM, Najam-ul-Haq, M, Rainer, M, Szabo, Z, Huck, ChW, Bonn, G.K. Medicinal applications of fullerenes, Int. J. Nanomed. 2:639-649, 2007.
  • [4] Flick, EW. Industrial Solvents Handbook (5th ed.), Park Ridge, NJ: William Andrew. 695, 1998.
  • [5] Gilbert, AM, Antane MM, Argentieri TM, Butera JA, Francisco GD, Freeden C, Gundersen EG, Graceffa RF, Herbst D, Hirth BH, Lennox JR, McFarlane G, Norton NW, Quagliato D, Sheldon JH, Warga D, Wojdan A, Woods M. Design and SAR of novel potassium channel openers targeted for urge urinary incontinence. 2. Selective and potent benzylamino cyclobutenediones, J. Med. Chem. 43:1203-1214, 2000.
  • [6] Qiao, JL, Gong QJ, Du LM, Jin, WJ. Spectroscopic study on the photoinduced reaction of fullerene C60 with aliphatic amines and its dynamics — strong short wavelength fluorescence from the adducts. Spectrochim. Acta A 57:17-25, 2001.
  • [7] Shi, J, Wang, B, Wang, L, Lu, T, Fu, Y, Zhang, H, Zhang, Z. Fullerene (C60)-based tumor-targeting nanoparticles with off-on state for enhanced treatment of cancer, J. Control. Release 235:245–258, 2016.
  • [8] Ray, A, Kundu, K, Kundu, K, Nayak, SK, Bhattacharya, S. Spectroscopic and theoretical insights on non-covalent interaction between fullerenes and xantheno-linked benzo-15-crown-5 receptor in solution, J. Mol. Liq. 220: 92–100, 2016.
  • [9] Parlak, C., Alver, Ö, Ramasami, P. Interaction mechanisms and structural properties of B-, Si-doped C60 fullerenes with 1-formylpiperazineMain Group Met. Chem. 39:145-150, 2016.
  • [10] Bashiri, S, Vessally, E, Bekhradnia, A, Hosseinian, A, Edjlali, L. Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies, Vacuum 136:156-162, 2017.
  • [11] Frisch, MJ, et al. Gaussian 09, Revision A. 1, Gaussian, Inc, Wallingford, CT; 2009.
  • [12] Lu, T, Chen, F. Multiwfn: A multifunctional wavefunction analyzer. J. Comput. Chem. 33:580-592, 2012.
  • [13] Bhushan, B. Principles and Applications of Tribology, Wiley-Interscience, Ohio, 1 ed., 1999.
  • [14] K. Oura, V.G. Lifshits, A.A. Saranin, A.V. Zotov, M. Katayama, Surface Science, An Introduction. Berlin: Springer, 2003.
  • [15] Hassani, F, Tavakol, H. A DFT, AIM and NBO study of adsorption and chemical sensing of iodine by S-doped fullerenes, Sensor Actuat. B Chem. 196: 624–630, 2014.
  • [16] Mahdavifar, Z, Poulad, M. Theoretical prediction of ozone sensing using pristine and endohedral metalloboron B 80 fullerenes, Sensor Actuat. B Chem. 205:26–38, 2014.
There are 16 citations in total.

Details

Subjects Engineering
Journal Section Articles
Authors

Metin Bilge

Publication Date June 30, 2017
Published in Issue Year 2017 Volume: 18 Issue: 2

Cite

APA Bilge, M. (2017). ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering, 18(2), 398-402. https://doi.org/10.18038/aubtda.281646
AMA Bilge M. ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE. AUJST-A. June 2017;18(2):398-402. doi:10.18038/aubtda.281646
Chicago Bilge, Metin. “ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE”. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 18, no. 2 (June 2017): 398-402. https://doi.org/10.18038/aubtda.281646.
EndNote Bilge M (June 1, 2017) ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 18 2 398–402.
IEEE M. Bilge, “ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE”, AUJST-A, vol. 18, no. 2, pp. 398–402, 2017, doi: 10.18038/aubtda.281646.
ISNAD Bilge, Metin. “ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE”. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering 18/2 (June 2017), 398-402. https://doi.org/10.18038/aubtda.281646.
JAMA Bilge M. ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE. AUJST-A. 2017;18:398–402.
MLA Bilge, Metin. “ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE”. Anadolu University Journal of Science and Technology A - Applied Sciences and Engineering, vol. 18, no. 2, 2017, pp. 398-02, doi:10.18038/aubtda.281646.
Vancouver Bilge M. ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WİTH PENTYLAMINE. AUJST-A. 2017;18(2):398-402.
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