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Volume 27
Issue 11
10.3390/ijms27114765
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Article

An Adaptive Cholic Acid Dimer for Selective Encapsulation

by
Magdalena-Cristina Stanciu
1,*,
Gabriela-Liliana Ailiesei
1,
Mirela-Fernanda Zaltariov
1,
Corneliu Cojocaru
1,
Carmen Gherasim
1,
Sofia-Maria Ciocan
2 and
Marcela Mihai
1
1
”Petru Poni” Institute of Macromolecular Chemistry, 41A, Grigore Ghica Voda Alley, 700487 Iasi, Romania
2
”National College”, 4, Arcu Street, 700125 Iasi, Romania
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2026, 27(11), 4765; https://doi.org/10.3390/ijms27114765 (registering DOI)
Submission received: 29 March 2026 / Revised: 18 May 2026 / Accepted: 19 May 2026 / Published: 25 May 2026
(This article belongs to the Section Physical Chemistry and Chemical Physics)
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Abstract

A novel cleft-type cholic acid dimer was synthesized from native bile acid through a six-step reaction sequence. Structural characterization was performed using FTIR, 1D NMR (1H, 13C and DEPT135), 2D NMR (1H,1H COSY; 1H,13C HSQC; 1H,13C HMBC) and ESI-MS (+). The dimer could entrap both polar and nonpolar guests within its invertible pockets, adapting to changes in solvent polarity. Specifically, UV–Vis absorption and in silico simulations revealed a moderately stable 1:1 host–guest complex for the dimer with Cresol Red sodium salt in an organic solvent. The docked dimer–pyrene complex, investigated by molecular modeling studies, demonstrated an identical 1:1 binding ratio and moderate stability in the micromolar concentration range. Steady-state fluorescence investigations implied that the quenching of pyrene emission by the dimer in an aqueous environment was chiefly a collisional or dynamic pathway rather than the generation of a ground-state dimer–pyrene assembly.
Keywords: steroidal dimer; click chemistry; inclusion complex; in silico studies steroidal dimer; click chemistry; inclusion complex; in silico studies
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MDPI and ACS Style

Stanciu, M.-C.; Ailiesei, G.-L.; Zaltariov, M.-F.; Cojocaru, C.; Gherasim, C.; Ciocan, S.-M.; Mihai, M. An Adaptive Cholic Acid Dimer for Selective Encapsulation. Int. J. Mol. Sci. 2026, 27, 4765. https://doi.org/10.3390/ijms27114765

AMA Style

Stanciu M-C, Ailiesei G-L, Zaltariov M-F, Cojocaru C, Gherasim C, Ciocan S-M, Mihai M. An Adaptive Cholic Acid Dimer for Selective Encapsulation. International Journal of Molecular Sciences. 2026; 27(11):4765. https://doi.org/10.3390/ijms27114765

Chicago/Turabian Style

Stanciu, Magdalena-Cristina, Gabriela-Liliana Ailiesei, Mirela-Fernanda Zaltariov, Corneliu Cojocaru, Carmen Gherasim, Sofia-Maria Ciocan, and Marcela Mihai. 2026. "An Adaptive Cholic Acid Dimer for Selective Encapsulation" International Journal of Molecular Sciences 27, no. 11: 4765. https://doi.org/10.3390/ijms27114765

APA Style

Stanciu, M.-C., Ailiesei, G.-L., Zaltariov, M.-F., Cojocaru, C., Gherasim, C., Ciocan, S.-M., & Mihai, M. (2026). An Adaptive Cholic Acid Dimer for Selective Encapsulation. International Journal of Molecular Sciences, 27(11), 4765. https://doi.org/10.3390/ijms27114765

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