The Effect of Polymerization of Ionic Liquid [C<sub>4</sub>Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study

Petr A. Korchak; Evgenia A. Safonova; Igor Yu. Gotlib; Alexey I. Victorov

doi:10.1007/s10118-026-3631-8

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The Effect of Polymerization of Ionic Liquid [C₄Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study

RESEARCH ARTICLE | Updated：2026-07-01

- The Effect of Polymerization of Ionic Liquid [C₄Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study
  Enhanced Publication
- Chinese Journal of Polymer Science Vol. 44, Issue 7, Pages: 2352-2360(2026)
- Affiliations：
  
  Institute of Chemistry, Saint Petersburg State University, Saint Petersburg 199034, Russia
- Author bio：
  
  p.korchak@spbu.ru
- Funds：
- DOI：10.1007/s10118-026-3631-8
  CLC：
- Received：04 January 2026，
  
  Revised：2026-02-08，
  
  Accepted：23 February 2026，
  
  Online First：24 June 2026，
  
  Published：05 July 2026
- Accepted：
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Korchak, P. A.; Safonova, E. A.; Gotlib, I. Y.; Victorov, A. I. The effect of polymerization of ionic liquid [C₄Vim]Br on phase behavior and partitioning of l-tryptophan: experimental and molecular dynamics study. Chinese J. Polym. Sci. 2026, 44, 2352–2360 DOI: 10.1007/s10118-026-3631-8.

Petr A. Korchak, Evgenia A. Safonova, Igor Yu. Gotlib, et al. The Effect of Polymerization of Ionic Liquid [C₄Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study[J]. Chinese Journal of Polymer Science, 2026, 44(7): 2352-2360. DOI: 10.1007/s10118-026-3631-8.
Korchak, P. A.; Safonova, E. A.; Gotlib, I. Y.; Victorov, A. I. The effect of polymerization of ionic liquid [C₄Vim]Br on phase behavior and partitioning of l-tryptophan: experimental and molecular dynamics study. Chinese J. Polym. Sci. 2026, 44, 2352–2360 DOI: 10.1007/s10118-026-3631-8. DOI：

Petr A. Korchak, Evgenia A. Safonova, Igor Yu. Gotlib, et al. The Effect of Polymerization of Ionic Liquid [C₄Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study[J]. Chinese Journal of Polymer Science, 2026, 44(7): 2352-2360. DOI: 10.1007/s10118-026-3631-8. DOI：

摘要

Polymerization of Ionic liquid significantly increases the heterogeneous region in aqueous biphasic systems but decreases the extraction efficiency. Molecular dynamics simulations confirm the unfavorable behavior of the extraction medium.

Abstract

In recent decades

there is growing interest in various applications of polymerized ionic liquids (PILs)

particularly in the aqueous biphasic systems (ABSs) used as media for extraction of solutes. In this work

we report new experimental data on the binodal curve and tie lines in the ABSs containing PIL and non-polymerized ionic liquid (IL): poly-[C

Vim

]

Br-K

-H

O and [C

Vim

]

Br-K

-H

O at 298.15 K. For the ABS with PIL

the partition coefficient of L-tryptophan between the liquid phases is obtained from experiment and compared with our previous data on ABS [C

mim

]

Br-K

-H

O containing non-polymerized IL. We conclude that the ABS containing poly-[C

Vim

]

Br has a lower extraction efficiency than the ABS based on non-polymerized ILs. To elucidate the mechanism underlying such behavior of the PIL-containing mixture

we performed MD simulations of PIL-rich aqueous mixtures in presence of K

and L-tryptophan. We obtained diffusion coefficients of low molecular mass ions and water

and data on the distribution of these species around polycation over a range of mixture compositions. MD data show that poly-[C

Vim

]

Br exhibits no favorable selectivity towards L-tryptophan anions in the prese

nce of phosphate background. This confirms unfavorable combination of poly-[C

Vim

]

Br with phosphate for the extraction of L-tryptophan

in accord with our experimental findings.

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references

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The Effect of Polymerization of Ionic Liquid [C4Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study

DOI：10.1007/s10118-026-3631-8

摘要

Abstract

关键词

Keywords

references

The Effect of Polymerization of Ionic Liquid [C₄Vim]Br on Phase Behavior and Partitioning of L-tryptophan: Experimental and Molecular Dynamics Study