Rearrangement of the Conformations of Polyampholitic Macromolecules on the Surface of a Charged Spherical Metal Nanoparticle in an Alternating Electric Field: Molecular Dynamic Simulation

Capa

Citar

Texto integral

Acesso aberto Acesso aberto
Acesso é fechado Acesso está concedido
Acesso é fechado Somente assinantes

Resumo

The rearrangement of the conformational structure of polyampholytic polypeptides on the surface of a charged spherical gold nanoparticle with its polarity intermittently changing over time was studied using molecular dynamics modeling. The angular distributions of the polypeptide atoms, as well as the radial distributions of the macrochain atomic density in the equatorial region of the nanoparticle with differentiation according to the types of links, were calculated. The polyampholyte shell acquired an annular shape, and the resulting macromolecular ring was located around the charged nanoparticle perpendicularly to the vector of the external electric field strength. With an increase in the charge of the nanoparticle, the ring belt was ordered according to the types of macrochain links, forming concentric annular layers. The diameter of the macromolecular ring depended on the law of distribution of charged units in the macrochain. At elevated temperatures the annular macromolecular ring was deformed at the moments of the highest polarization of the nanoparticle.

Sobre autores

N. Kruchinin

Center for Laser and Information Biophysics, Orenburg State University

Autor responsável pela correspondência
Email: kruchinin_56@mail.ru
460018, Orenburg, Russia

Bibliografia

  1. Shahdeo D., Kesarwani V., Suhag D. et al. // Carbohydrate Polymers. 2021. V. 266. P. 118138. https://doi.org/10.1016/j.carbpol.2021.118138
  2. Li X., Zhang M., Zhou X., Hu J. // Analytical Biochemistry. 2021. V. 631. P. 114369. https://doi.org/10.1016/j.ab.2021.114369
  3. Chakraborty K., Biswas A., Mishra S. et al. // ACS Appl. Bio Mater. 2023. V. 6. P. 458. https://doi.org/10.1021/acsabm.2c00726
  4. Knittel L.L., Zhao H., Nguyen A. et al. // J. Phys. Chem. B. 2020. V. 124. P. 3892. https://doi.org/10.1021/acs.jpcb.0c01444
  5. Retout M., Cornelio B., Bruylants G., Jabin I. // Langmuir. 2022. V. 38. P. 9301. https://doi.org/10.1021/acs.langmuir.2c01122
  6. Zanetti-Polzi L., Charchar P., Yarovsky I., Corni S. // ACS Nano. 2022. V. 16. P. 20129. https://doi.org/10.1021/acsnano.2c04335
  7. Jha S., Ramadori F., Quarta S. et al. // Bioconjugate Chemistry. 2016. V. 28. P. 222. https://doi.org/10.1021/acs.bioconjchem.6b00441
  8. Khlebtsov B.N., Khanadeev V.A., Burov A.M. et al. // J. Phys. Chem. C. 2020. V. 124. P. 10647. https://doi.org/10.1021/acs.jpcc.0c00991
  9. Silva F., Zambre A., Campello M.P.C. et al. // Bioconjugate Chemistry. 2016. V. 27. P. 1153. https://doi.org/10.1021/acs.bioconjchem.6b00102
  10. Liu B., Liu J. // Matter. 2019. V. 1. P. 825. https://doi.org/10.1016/j.matt.2019.08.008
  11. Wang X., Ham S., Zhou W., Qiao R. // Journal: Nanotechnology. 2023. V. 34. P. 025501. https://doi.org/10.1088/1361-6528/ac973b
  12. Dongying Q., Lan L., Qian D. // Process Biochemistry. 2020. V. 98. P. 51. https://doi.org/10.1016/j.procbio.2020.07.019
  13. Sokolov P.A., Ramasanoff R.R., Gabrusenok P.V. et al. // Langmuir. 2022. V. 38. P. 15776. https://doi.org/10.1021/acs.langmuir.2c02668
  14. Kruchinin N.Yu., Kucherenko M.G., Neyasov P.P. // Rus. J. of Physical Chemistry A. 2021. V. 95. № 2. P. 362. https://doi.org/10.1134/S003602442102014X
  15. Kruchinin N.Yu., Kucherenko M.G. // Surfaces and Interfaces. 2021. V. 27. P. 101517. https://doi.org/10.1016/j.surfin.2021.101517
  16. Kruchinin N.Yu., Kucherenko M.G. // Colloid Journal. 2021. V. 83. № 5. P. 591. https://doi.org/10.1134/S1061933X21050070
  17. Kruchinin N.Yu., Kucherenko M.G. // Rus. J. of Phys. Chem. A. 2022. V. 96. № 3. P. 622. https://doi.org/10.1134/S0036024422030141
  18. Kucherenko M.G., Kruchinin N.Yu., Neyasov P.P. // Eurasian Physical Technical Journal. 2022. V. 19. № 2 (40). P. 19–29. https://doi.org/10.31489/2022No2/19-29
  19. Kruchinin N.Yu., Kucherenko M.G. // Colloid Journal. 2021. V. 83. № 1. P. 79. https://doi.org/10.1134/S1061933X20060083
  20. Kruchinin N.Yu. // Ibid. 2021. V. 83. № 3. P. 326. https://doi.org/10.1134/S1061933X2102006X
  21. Kruchinin N.Yu., Kucherenko M.G. // Colloid Journal. 2020. V. 82. № 4. P. 392. https://doi.org/10.1134/S1061933X20040067
  22. Kruchinin N.Yu., Kucherenko M.G. // Eurasian Physical Technical Journal. 2021. V. 18. № 1. P. 16. https://doi.org/10.31489/2021No1/16-28
  23. Kruchinin N.Yu., Kucherenko M.G. // High Energy Chemistry. 2021. V. 55. № 6. P. 442. https://doi.org/10.1134/S0018143921060084
  24. Kruchinin N.Yu., Kucherenko M.G. // High Energy Chemistry. 2022. V. 56. № 6. P. 499. https://doi.org/10.1134/S0018143922060108
  25. Ландау Л.Д., Лифшиц Е.М. Электродинамика сплошных сред. М.: Наука, 1982.
  26. Phillips J.C., Braun R., Wang W. et al. // J. Comput. Chem. 2005. V. 26. P. 1781. https://doi.org/10.1002/jcc.20289
  27. MacKerell A.D. Jr., Bashford D., Bellott M. et al. // J. Phys. Chem. B. 1998. V. 102. P. 3586. https://doi.org/10.1021/jp973084f
  28. Huang J., Rauscher S., Nawrocki G. et al. // Nature Methods. 2016. V. 14. P. 71. https://doi.org/10.1038/nmeth.4067
  29. Heinz H., Vaia R.A., Farmer B.L., Naik R.R. // J. Phys. Chem. C. 2008. V. 112. P. 17281. https://doi.org/10.1021/jp801931d
  30. Cappabianca R., De Angelis P., Cardellini A. et al. // ACS Omega. 2022. V. 7. P. 42292. https://doi.org/10.1021/acsomega.2c05218
  31. Wei X., Harazinska E., Zhao Y. et al. // J. Phys. Chem. C. 2022. V. 126. P. 18511. https://doi.org/10.1021/acs.jpcc.2c05816
  32. Dutta S., Corni S., Brancolini G. // Int. J. Mol. Sci. 2021. V. 22. P. 3624. https://doi.org/10.3390/ijms22073624
  33. Kariuki R., Penman R., Bryant S.J. et al. // ACS Nano. 2022. V. 16. P. 17179. https://doi.org/10.1021/acsnano.2c07751
  34. Farhadian N., Kazemi M.S., Baigi F.M., Khalaj M. // J. of Molecular Graphics and Modelling. 2022. V. 116. 2022. P. 108271. https://doi.org/10.1016/j.jmgm.2022.108271
  35. Wei X., Popov A., Hernandez R. // ACS Appl. Mater. Interfaces. 2022. V. 14. P. 12538. https://doi.org/10.1021/acsami.1c24526
  36. Salassi S, Caselli L., Cardellini J. et al. // J. Chem. Theory Comput. 2021. V. 17. P. 6597. https://doi.org/10.1021/acs.jctc.1c00627
  37. Riccardi L., Decherchi S., Rocchia W. et al. // J. Phys. Chem. Lett. 2021. V. 12. P. 5616. https://doi.org/10.1021/acs.jpclett.1c01365
  38. Li Z., Ruiz V.G., Kanduč M., Dzubiella J. // Langmuir. 2020. V. 36. P. 13457. https://doi.org/10.1021/acs.langmuir.0c02097
  39. Avila-Salas F, González R.I., Ríos P.L. et al. // J. Chem. Inf. Model. 2020. V. 60. P. 2966. https://doi.org/10.1021/acs.jcim.0c00052
  40. Darden T., York D., Pedersen L. // J. Chem. Phys. 1993. V. 98. P. 10089. https://doi.org/10.1063/1.464397
  41. Jorgensen W.L., Chandrasekhar J., Madura J.D. et al. // Ibid. 1983. V. 79. P. 926. https://doi.org/10.1063/1.445869
  42. Shankla M., Aksimentiev A. // Nature Communications. 2014. V. 5. P. 5171. https://doi.org/10.1038/ncomms6171
  43. Chen P., Zhang Z., Gu N., Ji M. // Molecular Simulation. 2018. V. 44. P. 85. https://doi.org/10.1080/08927022.2017.1342118

Arquivos suplementares

Arquivos suplementares
Ação
1. JATS XML
Baixar
2.

Baixar (1MB)
Metadados
3.

Baixar (234KB)
Metadados
4.

Baixar (325KB)
Metadados
5.

Baixar (1MB)
Metadados
6.

Baixar (215KB)
Metadados

Declaração de direitos autorais © Н.Ю. Кручинин, 2023

Este site utiliza cookies

Ao continuar usando nosso site, você concorda com o procedimento de cookies que mantêm o site funcionando normalmente.

Informação sobre cookies