KAJIAN TEORITIS KEMAMPUAN CAPPING KATEKIN, KATEKU TANAT DAN QUARSETIN TERHADAP NANOPARTIKEL PERAK DENGAN MENGGUNAKAN METODA DFT-B

Authors

  • Syukri Arief Jurusan Kimia, Universitas Andalas, Padang, 25163, Indonesia
  • Emriadi - Jurusan Kimia, Universitas Andalas, Padang, 25163, Indonesia
  • Ade Saputra

DOI:

https://doi.org/10.25077/jrk.v9i1.256

Keywords:

Silver Nanoparticle, Capping, Adsorption, DFTB

Abstract

Interdiffusion mechanism of catechin, catechutannic acid and quercetin are studied by using DFT-B method. But before conducting these experiment, we perform molecular dynamic simulations to find adsorption models probability of each compound. Two models adsorption of quarcetin, four models for catechin and three models for catechutannic acid have been obtained from molecular dynamic simulations. Quantum parameter of each compound, energy and properties adsorption models have been calculated and discussed. The theoretical results were found to be consistent with the experimental data reported. Futhermore, optimization adsorption model samples show that all of adsorbents have weak bonds on the surface of silver nanoparticles. The mechanism can be classified as strong physisorption, so that catechin, catechutannic acid and quercetin can be categorized as good capping agent in synthesis of silver nanoparticles.

References

Karkare, M. Nanotechnology: Fundamentals and Applications. LK. International Publishing House Pvt. Ltd, New Delhi. 21-50 (2008).

Vance, M. E., Kuiken, T., Vejerano, E. P., McGinnis, S. P., Hochella Jr, M. F., Rejeski, D., & Hull, M. S., Nanotechnology in the real world: Redeveloping the nanomaterial consumer products inventory. Beilstein J. Nanotechnol., 6: 1769–1780 (2015).

Satyavani, K., Gurudeeban, S., Ramanathan, T., & Balasubramanian, T. Biomedical potential of silver nanoparticles synthesized from calli cells of Citrullus colocynthis (L.) Schrad, J. Nanotechnol., 9(43): 1-8 (2011).

Loo, Y. Y., Chieng, B. W., Nishibuchi, M., & Radu, S. Synthesis of silver nanoparticles by using tea leaf extract from Camellia Sinensis, Int. J. Nanomedicine, 7: 4263-4267 (2012).

Chopade, B., Ghosh, S., Patil, S., Synthesis of silver nanoparticles using Dioscorea bulbifera tuber extract and evaluation if its synergistic potential in combination with antimicrobial Agents, Int. J. Nanomedicine, 7: 483-496. (2012).

Leon, R. et al., Synthesis of silver nanoparticles using reducing agents obtained from natural sources (Rumex Hymenosepalus Extracts), Nanoscale Res. Lett., 8(318): 1-8 (2013).

Marslin, G. et al. Antimicrobial activity of cream incorporated with silver nanoparticles biosynthesized from Withania somnifera, Int. J. Nanomedicine, 10: 5955-5963 (2015).

Kulkarni, N. dan Muddapur, U. Biosynthesis of Metal Nanoparticles: A Review, J. Nanotechnol., 1-8 (2014).

Daimon, H. Progress in Cathode Catalysts for PEFC: Advance Materials for Clean Energy, (Ed: Q. Xu dan T. Kobayashi) CRC press LLC, Florida. Bab 17, pp 549-559. (2015).

Oliveira, A.F., Seifert, G., Heine, T. and Duarte, H.A., Density-Functional Based Tight-Binding: an Approximate DFT Method. J. Braz. Chem. Soc., 20(7): 1193-1205 (2009).

Elstner, M. dan Seifert G. Density Functional Tight Binding. Royal Society, Phil. Trans., 1-9, (2016).

Manzhos, S., Giorgi, G. dan Koichi Yamashita, K. A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania. Molecules, 20: 3371-3388 (2015).

Hellström, M., Jorner, K., Bryngelsson, M., Huber, S.E., Kullgren, J., Frauenheim, T. dan Broqvist, P., An SCC-DFTB repulsive potential for various ZnO polymorphs and the ZnO−Water system. J. Phys. Chem. C, 117: 17004−17015 (2013).

Heckel, W., Elsner, B.A., Schulz, C. dan Müller, S., The role of hydrogen on the adsorption behavior of carboxylic acid on TiO2 surfaces, J. Phys. Chem. C, 118(20): 10771–10779 (2014).

Aradi, B., Hourahine, B. dan Frauenheim, T., DFTB+, a sparse matrix-based implementation of the DFTB method, J. Phys. Chem. A, 111(26): 5678 (2007).

Elstner, M., Porezag, D., Jungnickel, G., Elsner, J., Haugk, M., Frauenheim, T., Suhai, S. dan Seifert, G., Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties. Phys. Rev. B, 58:7260 (1998).

Szucs, B., Hajnal, Z., Scholz, R., Sanna, S. dan Frauenheim, T., Theoretical study of the adsorption of a PTCDA monolayer on S-passivated GaAs (100), Appl. Surf. Sci., 234: 173. (2004).

Housecroft, C. E. dan Sharpe, A. G. Inorganic Chemistry 2nd Edition. Pearson Education Ltd, Essex. 162-188 (2004).

Majumdar, R., Gopal, B. dan Maity, N. Acacia nilotica (Babool) leaf extract mediated size-controlled rapid synthesis of gold nanoparticles and study of its catalytic activity. Int. Nano Lett., 3: 53 (2013).

Ebrahiminezhad A. et al. Biomimetic synthesis of silver nanoparticles using microalgal secretory carbohydrates as a novel anticancer and antimicrobial. Adv. Nat. Sci.: Nanosci. Nanotechnol. 7: 1-8 (2016).

Nnaji, N. J. N., Obi-Egbedi, N. O. dan Okoye, C. O. B. Cashew nut testa tannin: assessing its effects on the corrosion of aluminium in HCl. Port. Electrochim. Acta, 32: 157-182 (2014).

Kavitha, V. dan Gunavathy, N. Quantum chemical studies on efficiencies of catechin, epicatechin gallate, epigallocatechin and quercetinas corrosion inhibitors, PSGCAS Search: A Journal of Science and Technology, 2 (2): 7-11 (2015).

Abraham, T. E. dan Zakaria, Z. A. Reactivity of phenolic compounds towards free radicals under in vitro conditions., J. Food Sci. Technol. 52: 5790 (2015).

Michalak, A. Phenolic compounds and their antioxidant activity in plants growing under heavy metal stress. Polish J. Environ. Stud., 15(4): 523-530 (2006).

Housecroft, C. E. dan Sharpe, A. G. Inorganic Chemistry 2nd Edition. Pearson Education Ltd, Essex. 689-694 (2004).

Pool, H. et al., Antioxidant effects of quercetin and catechin encapsulated into PLGA nanoparticles, J. Nanomater., 1-11 (2012).

Israelsen, N. D., Hanson, C. dan Vargis, E., Nanoparticle properties and synthesis effects on surface-enhanced Raman scattering enhancement factor: An Introduction. Hindawi Publishing, The Scientific World Journal, 1-12 (2015).

Noll, K. E., Gounaris, V., dan Hou, W.. Adsorption technology for air and water pollution control. Lewis Publishers, Chelsea, Mich. 21-49 (1992).

Duan, H., Wang, D. dan Li, Y. Green chemistry for nanoparticle synthesis. Chem. Soc. Rev., 44: 5778-5792 (2015).

Downloads

Published

2017-04-07

How to Cite

Arief, S., -, E., & Saputra, A. (2017). KAJIAN TEORITIS KEMAMPUAN CAPPING KATEKIN, KATEKU TANAT DAN QUARSETIN TERHADAP NANOPARTIKEL PERAK DENGAN MENGGUNAKAN METODA DFT-B. Jurnal Riset Kimia, 9(1), 27. https://doi.org/10.25077/jrk.v9i1.256

Issue

Vol. 9 No. 1 (2015): September

Section

Articles

Citation Check

License

Please find the rights and licenses in Jurnal Riset Kimia (J. Ris. Kim). By submitting the article/manuscript of the article, the author(s) agree with this policy. No specific document sign-off is required.

1. License

The use the article will be governed by the Creative Commons Attribution license as currently displayed on Creative Commons Attribution 4.0 International License. 

2. Author(s)' Warranties

The author warrants that the article is original, written by stated author(s), has not been published before, contains no unlawful statements, does not infringe the rights of others, is subject to copyright that is vested exclusively in the author and free of any third party rights, and that any necessary written permissions to quote from other sources have been obtained by the author(s).

3. User Rights

Under the Creative Commons license, the journal permits users to copy, distribute, and display the material for any purpose. Users will also need to attribute authors and J. Ris. Kim on distributing works in the journal and other media of publications.

4. Rights of Authors

Authors retain all their rights to the published works, such as (but not limited to) the following rights;

  • Copyright and other proprietary rights relating to the article, such as patent rights,
  • The right to use the substance of the article in own future works, including lectures and books,
  • The right to reproduce the article for own purposes,
  • The right to self-archive the article,
  • The right to enter into separate, additional contractual arrangements for the non-exclusive distribution of the article's published version (e.g., post it to an institutional repository or publish it in a book), with an acknowledgment of its initial publication in this journal.

5. Co-Authorship

If the article was jointly prepared by more than one author, any authors submitting the manuscript warrants that he/she has been authorized by all co-authors to be agreed on this copyright and license notice (agreement) on their behalf, and agrees to inform his/her co-authors of the terms of this policy. J. Ris. Kim will not be held liable for anything that may arise due to the author(s) internal dispute. J. Ris. Kim will only communicate with the corresponding author.