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Yıl 2018, Cilt: 22 Sayı: 4, 474 - 483, 27.06.2025

Yulia Polkovnikova Alexandr Lenshin Pavel Seredin Kseniya Koryanova

https://doi.org/10.12991/jrp.2018.86

Öz

Kaynakça

  • [1] Duncan R, Vicent MJ, Greco F, Nicholson R. Polymer-drug conjugates: towards a novel approach for the treatment of endocrine-related cancer. Endocr Relat Cancer. 2005;12(1):189-199.
  • [2] Denisse Rocha-García, Antonio Guerra-Contreras, Sergio Rosales-Mendoza, Gabriela Palestino. Role of porous silicon/hydrogel composites on drug delivery. Mesoporous Biomater. 2016;3:93–101.
  • [3] Canham L. Handbook of Porous Silicon. Springer, New York, 2014, pp.156-160.
  • [4] Bisia O, Ossicini S, Pavesi L. Porous silicon: a quantum sponge structure for silicon based optoelectronics. Surf Sci Rep. 2000;38(1-3):1-126.
  • [5] Vivero-Escoto JL, Slowing II, Trewyn BG, Lin VSY. Mesoporous silica nanoparticles for intracellular controlled drug delivery. Small. 2010;6(18):1952-1967.
  • [6] Bobyl A, Konnikov S, Sakseev D, Soldatenkov F, Tereschenko G, Ulin V. Porous-semiconductor-based hydrogen-permeable membrane. Ind Eng Chem Res. 2007;46(8):2263-2267.
  • [7] Jarvis KL, Barnes TJ, Prestidge CA. Surface chemistry of porous silicon and implications for drug encapsulation and delivery applications. Adv Colloid Interface Sci. 2012;175:25-38.
  • [8] Golob S, Perry M, Lusi M, Chierotti MR, Grabnar I, Lassiani L, Voinovich D, Zaworotko MJ. Improving biopharmaceutical properties of vinpocetine through cocrystallization. J Pharm Sci. 2016;105(12):3626-3633.
  • [9] Arruebo M. Drug delivery from structured porous inorganic materials. WIREs Nanomed Nanobiotechnol. 2012;4(1):16-21.
  • [10] Wu EC, Andrew JS, Cheng L, Freeman WR, Pearson L, Sailor MJ. Real-time monitoring of sustained drug release using the optical properties of porous silicon photonic crystal particles. Biomaterials. 2011;32(7):1957-1966.
  • [11] Ding J, Li J, Shirui Mao. Development and evaluation of vinpocetine inclusion complex for brain targeting. Asian J Pharm Sci. 2015;10(2):114–120.
  • [12] Pochert А, Schneider D, Haase J, Linden M, Valiullin R. Diffusion and molecular exchange in hollow core–shell silica nanoparticles. Langmuir. 2015;31(37):10285-10295.
  • [13] Polkovnikova YA, Lenshin AS, Seredin PV, Minakov DA. Porous silicon nanoparticles containing neurotropic drugs. Inorg Mater. 2017;53(5):477-483.
  • [14] Polkovnikova YA, Lenshin AS, Seredin PV. Studies on the development of nanoparticles with afobazole on the basis of porous silicon. Russ J Biopharm. 2017;9(2):43-47.
  • [15] Berendsen HJC, Postma JPM, Gunsteren WF, DiNola A, Haak JR. Molecular dynamics with coupling to an external bath. J Chem Phys. 1984;81(8):3684–3690.
  • [16] Bykov D, Petrenko T, Izsák R, Kossman S, Becker U, Neese F. Efficient implementation of the analytic second derivatives of hartree-fock and hybrid dft energies: a detailed analysis of different approximations. Mol Phys. 2015;113(13):1961-1987.
  • [17] Greiner M, Sonnleitner B, Mailänder M, Briesen H. Modeling complex and multi-component food systems in molecular dynamics simulations on the example of chocolate conching. Food Funct. 2014;5(2):235-242.
  • [18] Feller SE. Molecular dynamics simulations of lipid bilayers. Curr Opin Collolid Interface Sci. 2000;5(3):217-223.
  • [19] Leo D, Maranon J. Confined water/oil interface. Molecular dynamics study. J Mol Struct (Theochem). 2004;672(1-3):221-229.
  • [20] Sedghi M, Piri M, Goual L. Atomistic molecular dynamics simulations of crude oil/brine displacement in calcite mesopores. Langmuir. 2016;32(14):3375–3384.

Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide

Yıl 2018, Cilt: 22 Sayı: 4, 474 - 483, 27.06.2025

Yulia Polkovnikova Alexandr Lenshin Pavel Seredin Kseniya Koryanova

https://doi.org/10.12991/jrp.2018.86

Öz

An important task in technology of chemical-pharmaceutical preparations is the improvement of drug formulations, the development of new alternative drug delivery methods for biologically active substances as well as the changes in the delivery systems of active components. A search and implementation of nano-size systems for the delivery of drug formulations related to nootropic series is in fact an actual task in medicine. Correct interpretation of the experimental data in the study of the reactant release from the delivery systems such as nanoparticles is impossible without the comprehension of physico-chemical processes occurring at the molecular level. The purpose of the study is a comparative analysis of thermodynamic characteristics of vinpocetine binding with the surface of silicon and silicon oxide in aqueous medium. Calculations of the enthalpy, entropy and Gibbs energy were performed for the process of vinpocetine desorption from the surface of an adsorbent. First, the values of enthalpy and entropy were calculated for the initial and final stages of the process. Gibbs energy of vinpocetine desorption from the surface of silicon oxide is of a greater value as compared with its desorption from silicon surface under corresponding pH values. It can be explained by the ability of silicon oxide surface to ionization at pH 6.8 and 7.0, as well as by a large number of hydroxyl groups on the surface of this adsorbent. The obtained data enables to make a conclusion on the more tight vinpocetine binding with the surface of silicon oxide as compared with pure silicon surface.

Anahtar Kelimeler

Vinpocetine nanoparticles silicon silicon dioxide sorption

Kaynakça

  • [1] Duncan R, Vicent MJ, Greco F, Nicholson R. Polymer-drug conjugates: towards a novel approach for the treatment of endocrine-related cancer. Endocr Relat Cancer. 2005;12(1):189-199.
  • [2] Denisse Rocha-García, Antonio Guerra-Contreras, Sergio Rosales-Mendoza, Gabriela Palestino. Role of porous silicon/hydrogel composites on drug delivery. Mesoporous Biomater. 2016;3:93–101.
  • [3] Canham L. Handbook of Porous Silicon. Springer, New York, 2014, pp.156-160.
  • [4] Bisia O, Ossicini S, Pavesi L. Porous silicon: a quantum sponge structure for silicon based optoelectronics. Surf Sci Rep. 2000;38(1-3):1-126.
  • [5] Vivero-Escoto JL, Slowing II, Trewyn BG, Lin VSY. Mesoporous silica nanoparticles for intracellular controlled drug delivery. Small. 2010;6(18):1952-1967.
  • [6] Bobyl A, Konnikov S, Sakseev D, Soldatenkov F, Tereschenko G, Ulin V. Porous-semiconductor-based hydrogen-permeable membrane. Ind Eng Chem Res. 2007;46(8):2263-2267.
  • [7] Jarvis KL, Barnes TJ, Prestidge CA. Surface chemistry of porous silicon and implications for drug encapsulation and delivery applications. Adv Colloid Interface Sci. 2012;175:25-38.
  • [8] Golob S, Perry M, Lusi M, Chierotti MR, Grabnar I, Lassiani L, Voinovich D, Zaworotko MJ. Improving biopharmaceutical properties of vinpocetine through cocrystallization. J Pharm Sci. 2016;105(12):3626-3633.
  • [9] Arruebo M. Drug delivery from structured porous inorganic materials. WIREs Nanomed Nanobiotechnol. 2012;4(1):16-21.
  • [10] Wu EC, Andrew JS, Cheng L, Freeman WR, Pearson L, Sailor MJ. Real-time monitoring of sustained drug release using the optical properties of porous silicon photonic crystal particles. Biomaterials. 2011;32(7):1957-1966.
  • [11] Ding J, Li J, Shirui Mao. Development and evaluation of vinpocetine inclusion complex for brain targeting. Asian J Pharm Sci. 2015;10(2):114–120.
  • [12] Pochert А, Schneider D, Haase J, Linden M, Valiullin R. Diffusion and molecular exchange in hollow core–shell silica nanoparticles. Langmuir. 2015;31(37):10285-10295.
  • [13] Polkovnikova YA, Lenshin AS, Seredin PV, Minakov DA. Porous silicon nanoparticles containing neurotropic drugs. Inorg Mater. 2017;53(5):477-483.
  • [14] Polkovnikova YA, Lenshin AS, Seredin PV. Studies on the development of nanoparticles with afobazole on the basis of porous silicon. Russ J Biopharm. 2017;9(2):43-47.
  • [15] Berendsen HJC, Postma JPM, Gunsteren WF, DiNola A, Haak JR. Molecular dynamics with coupling to an external bath. J Chem Phys. 1984;81(8):3684–3690.
  • [16] Bykov D, Petrenko T, Izsák R, Kossman S, Becker U, Neese F. Efficient implementation of the analytic second derivatives of hartree-fock and hybrid dft energies: a detailed analysis of different approximations. Mol Phys. 2015;113(13):1961-1987.
  • [17] Greiner M, Sonnleitner B, Mailänder M, Briesen H. Modeling complex and multi-component food systems in molecular dynamics simulations on the example of chocolate conching. Food Funct. 2014;5(2):235-242.
  • [18] Feller SE. Molecular dynamics simulations of lipid bilayers. Curr Opin Collolid Interface Sci. 2000;5(3):217-223.
  • [19] Leo D, Maranon J. Confined water/oil interface. Molecular dynamics study. J Mol Struct (Theochem). 2004;672(1-3):221-229.
  • [20] Sedghi M, Piri M, Goual L. Atomistic molecular dynamics simulations of crude oil/brine displacement in calcite mesopores. Langmuir. 2016;32(14):3375–3384.
Toplam 20 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular İlaç Dağıtım Teknolojileri
Bölüm Articles
Yazarlar

Yulia Polkovnikova 0000-0003-0123-9526

Alexandr Lenshin 0000-0002-1939-253X

Pavel Seredin 0000-0002-6724-0063

Kseniya Koryanova 0000-0003-1571-9301

Yayımlanma Tarihi 27 Haziran 2025
Yayımlandığı Sayı Yıl 2018 Cilt: 22 Sayı: 4

Kaynak Göster

APA Polkovnikova, Y., Lenshin, A., Seredin, P., Koryanova, K. (2025). Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide. Journal of Research in Pharmacy, 22(4), 474-483. https://doi.org/10.12991/jrp.2018.86
AMA Polkovnikova Y, Lenshin A, Seredin P, Koryanova K. Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide. J. Res. Pharm. Haziran 2025;22(4):474-483. doi:10.12991/jrp.2018.86
Chicago Polkovnikova, Yulia, Alexandr Lenshin, Pavel Seredin, ve Kseniya Koryanova. “Quantum-Chemical Calculation of the Free Energy of Binding of Vinpocetine Molecules With Surface of Silicon and Silicon Dioxide”. Journal of Research in Pharmacy 22, sy. 4 (Haziran 2025): 474-83. https://doi.org/10.12991/jrp.2018.86.
EndNote Polkovnikova Y, Lenshin A, Seredin P, Koryanova K (01 Haziran 2025) Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide. Journal of Research in Pharmacy 22 4 474–483.
IEEE Y. Polkovnikova, A. Lenshin, P. Seredin, ve K. Koryanova, “Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide”, J. Res. Pharm., c. 22, sy. 4, ss. 474–483, 2025, doi: 10.12991/jrp.2018.86.
ISNAD Polkovnikova, Yulia vd. “Quantum-Chemical Calculation of the Free Energy of Binding of Vinpocetine Molecules With Surface of Silicon and Silicon Dioxide”. Journal of Research in Pharmacy 22/4 (Haziran 2025), 474-483. https://doi.org/10.12991/jrp.2018.86.
JAMA Polkovnikova Y, Lenshin A, Seredin P, Koryanova K. Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide. J. Res. Pharm. 2025;22:474–483.
MLA Polkovnikova, Yulia vd. “Quantum-Chemical Calculation of the Free Energy of Binding of Vinpocetine Molecules With Surface of Silicon and Silicon Dioxide”. Journal of Research in Pharmacy, c. 22, sy. 4, 2025, ss. 474-83, doi:10.12991/jrp.2018.86.
Vancouver Polkovnikova Y, Lenshin A, Seredin P, Koryanova K. Quantum-chemical calculation of the free energy of binding of vinpocetine molecules with surface of silicon and silicon dioxide. J. Res. Pharm. 2025;22(4):474-83.