Study of the interaction of sorbed silver, gold and copper ions with functional groups on hydrolyzed fibroin using Charmm22 force field calculations

Document Type : Research Article


Department of Chemistry, Faculty of Natural Sciences,Urgench State University, Urgench, Uzbekistan


We studied the sorption of silver, gold, and copper ions into powdered hydrolyzed fibroin derived from silk fibroin fibers. Metal ions sorbed into hydrolyzed fibroin have been found to interact with active functional groups over time. It was hypothesized that the silver and gold ions sorbed into hydrolyzed fibroin would form nanoparticles as a result of the reduction reaction, while the copper ions would form a coordination bond. Charmm22 force field calculations were performed on this basis. The IR spectral results obtained by calculations were compared with the IR spectral results obtained in practice, and it was proved that silver and gold nanoparticles were formed and that copper ions formed coordination bonds with fibroin


Main Subjects

  1. Huang, Y, Farooq, MU, Kundu, P, Hazarika, S, Feng, X. Use of fibroin polypeptide from silk processing waste as an effective biosorbent for heavy metal removal. Can JChem Eng., (2021) 1–11.
  2. Fukashi Shimizu, Ikuzo Sakaguchi. Adsorptive rate of metal cations on silk fibroin fiber, Sen'i Gakkaishi, 36(3), (1980) 127-131.
  3. Tsukasa Sato, Saki Abe, Shinko Ito, Tatsuo Abe. Silk fibroin fiber for selective palladium adsorption: Kinetic, isothermal and thermodynamic properties. Journal of Environmental Chemical Engineering, 7(2), (2019) 102958.
  4. Tsukasa Sato, Tsugumi Seki, Shino Yokoyama, Shinko Ito.  Adsorption of Cesium Ion on Silk Fibroin in Aqueous Solution,  Mat. Res. Soc. Japan,  42(2), (2017) 19-22.
  5. Tomeh MA, Hadianamrei R, Zhao X. Silk Fibroin as a Functional Biomaterial for Drug and Gene Delivery. Pharmaceutics, 11(10), (2019) 494.
  6. Bozorgian, Z. Arab Aboosadi, A. Mohammadi, B. Honarvar, A. Azimi, Optimization of determination of CO2 gas hydrates surface tension in the presence of non-ionic surfactants and TBAC, Eurasian Chemical Communications,2 (2020), 420-426.
  7. Eshchanov K. , Baltayeva M. Determination of the molecular mass of hydrolyzed fibroin obtained from natural silk fibroin by spectrophotometry. Journal of the Turkish Chemical Society Section A: Chemistry, 9(1), (2022) 115-120.
  8. I. Semenov, V. P. Yanukovych. Method for obtaining powder from natural silk. USSR Patent, (1991) No. 1826999 A3.
  9. Nitayaphat W., Jintakosol T. Adsorption of Ag(I) from Aqueous Solutions Using Regenerated Silk Fibroin Adsorbent Beads.Journal of Natural Fibers. Bellwether Pub.,Ltd. (2020) 1-13.
  10. Gao Ai Qin, Xie Kong Liang, Song Xi Yu, Zhang Kai, Hou Ai Qin. Removal of the heavy metal ions from aqueous solution using modified natural biomaterial membrane based on silk fibroin. Ecological Engineering, 99 (2017) 343-348.
  11. Rastogi, S., Kandasubramanian, B. Ipak fibroin kompozitlari yordamida og'ir metall ionlari va bo'yoqlarning adsorbsiyasidagi progressiv tendentsiyalar. Environ Sci Pollut Res, 27(2020) 210–237.
  12. Patel, Mrinal & Dubey, Devendra & Singh, Satinder. Phenomenological models of Bombyx mori silk fibroin and their mechanical behavior using molecular dynamics simulations. Materials Science and Engineering: 108 (2019) 110414.
  13. Samimi, K.  Kavosi, S.  Zarinabadi, A.  Bozorgian, Optimization of the Gasoline Production Plant in order to Increase Feed, Progress in Chemical and Biochemical Research ,3 (2020), 7-19.
  14. Eshchanov K., Baltayeva M. Determination of the molecular mass of hydrolyzed fibroin obtained from natural silk fibroin by spectrophotometry. Journal of the Turkish Chemical Society Section A: Chemistry, 9(1), (2022) 115-120.
  15. B. Sadr, A. Bozorgian, An overview of gas overflow in gaseous hydrates, Journal of Chemical Reviews, 3 (2021) 66-82.
  16. Hayward S, Kitao A, Go N. Harmonic and anharmonic aspects in the dynamics of BPTI—a normal-mode analysis and principal component analysis. Protein Science, 3, (1994) 936–943.
  17. Mott, A. J., & Rez, P. Calculation of the infrared spectra of proteins. European biophysics journal, 44(3), (2015) 103–112.
  18. Davidson R.S. The photodegradation of some naturally occurring polymers. J Photochem Photobiol B Biol;33(1), (1996) 3-25.
  19. Wyeth P.R. Scientific analysis of ancient and historic textiles informing preservation display and interpretation. Archetype Publications, (2004) 137-42.
  20. Widyaningtyas, Ariffinisa & Yulizar, Yoki & Bagus Apriandanu, Dewangga. Ag2O nanoparticles fabrication by Vernonia amygdalina Del . leaf extract: synthesis, characterization, and its photocatalytic activities. IOP Conference Series: Materials Science and Engineering. 509 (2019) 012022.
  21. Daye Sun, Jonathan Turner, Nan Jiang, Songsong Zhu, Li Zhang, Brian G. Falzon, Colin P. McCoy, Paul Maguire, Davide Mariotti, Dan Sun. Atmospheric pressure microplasma for antibacterial silver nanoparticle/chitosan nanocomposites with tailored properties. Composites Science and Technology, 186 (2020) 107911.
  22. Kazuo Nakamoto. Infrared and Raman Spectra of Inorganic and Coordination Compounds: Part A: Theory and Applications in Inorganic Chemistry, New Jersey (2008).
  23. Kazntsyna L.A., Kupletskaya N.B. Application of UV, IR and NMR spectroscopy in organic chemistry. Allowance for universities, "Higher. School”, Moscow (1971).