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Recent Research in Supramolecular Chemistry
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Recent Research in Supramolecular Chemistry

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (20 March 2025) | Viewed by 5356

Special Issue Editors

Dr. Béla Fiser

E-Mail Website
Guest Editor
1. Department of Physical Chemistry, Faculty of Chemistry, University of Lodz, 90-236 Lodz, Poland
2. Institute of Chemistry, University of Miskolc, Miskolc-Egyetemváros, 3515 Miskolc, Hungary
Interests: polymers; computational chemistry; polycyclic aromatic hydrocarbons; reaction mechanisms; catalysis
Special Issues, Collections and Topics in MDPI journals
Dr. Gergo Toth

E-Mail Website
Guest Editor
Department of Pharmaceutical Chemistry, Semmelweis University, Hőgyes E. Str. 9, H-1085 Budapest, Hungary
Interests: analytical chemistry; chirality; drug analysis; separation techniques; capillary electrophoresis; high performance liquid chromatography
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In recent years, supramolecular chemistry has been gaining momentum. Supramolecular chemistry is driven by non-covalent interactions. To understand these interactions is vital, since they are inevitable in the description of biological processes and various polymeric systems. The physical and chemical properties of supramolecular systems can be explored using computational and experimental tools which are undeniably complementary to each other. This Special Issue, entitled “Recent Research in Supramolecular Chemistry”, will cover experimental and theoretical results in the field, including the latest developments and applications. Both research and review papers are welcome.

Dr. Béla Fiser
Dr. Gergo Toth
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • chirality
  • enantiomers
  • enantioseparation
  • polymers
  • molecular modelling

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Further information on MDPI's Special Issue policies can be found here.

Published Papers (3 papers)

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Research

22 pages, 7241 KiB  
Article
Enhancing the Solubility and Dissolution of Apigenin: Solid Dispersions Approach
by Natalia Rosiak, Ewa Tykarska, Andrzej Miklaszewski, Robert Pietrzak and Judyta Cielecka-Piontek
Int. J. Mol. Sci. 2025, 26(2), 566; https://doi.org/10.3390/ijms26020566 - 10 Jan 2025
Cited by 1 | Viewed by 1278
Abstract
Apigenin (APG), a bioactive flavonoid with promising therapeutic potential, suffers from poor water solubility, which limits its bioavailability. To address this, solid dispersions of APG were prepared using ball milling with sodium alginate (SA), Pluronic® F-68 (PLU68), Pluronic® F-127 (PLU127), PVP [...] Read more.
Apigenin (APG), a bioactive flavonoid with promising therapeutic potential, suffers from poor water solubility, which limits its bioavailability. To address this, solid dispersions of APG were prepared using ball milling with sodium alginate (SA), Pluronic® F-68 (PLU68), Pluronic® F-127 (PLU127), PVP K30, and PVP VA64 as polymeric excipients. These dispersions were screened for apparent solubility in water and buffers with pH 1.2, 5.5, and 6.8. Based on improved solubility after 60 min, APG–PLU68 and APG–PLU127 dispersions were selected for further study. DSC and FT-IR analysis confirmed molecular interactions between APG and the polymer matrices, contributing to enhanced solubility and dissolution rates. Dissolution rate studies showed that APG–PLU127 achieved 100% solubility at pH 6.8, suggesting its potential use in environments such as the small intestine. Additionally, APG–PLU127 exhibited 84.3% solubility at pH 1.2, indicating potential for solid oral dosage forms, where APG could be absorbed in the acidic conditions of the stomach. The stability study confirmed that storage for one year under ambient conditions does not cause chemical degradation but affects the physical state and solubility of the dispersion. Antioxidant activity was assessed using the ABTS assay. Freshly obtained APG–PLU127 showed 68.1% ± 1.94% activity, whereas APG–PLU127 stored for one year under ambient conditions exhibited 66.2% ± 1.62% (significant difference, p < 0.05). The difference was related to a slight decrease in the solubility of APG in the solid dispersion (T0 = 252 ± 1 μg∙mL−1, T1 = 246 ± 1 μg∙mL−1). The findings demonstrate the superior performance of PLU127 as a carrier for enhancing the solubility, release, and antioxidant activity of APG. Full article
(This article belongs to the Special Issue Recent Research in Supramolecular Chemistry)
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16 pages, 3149 KiB  
Article
New Insights on Solvent-Induced Changes in Refractivity and Specific Rotation of Poly(propylene oxide) Systems Extracted from Channeled Spectra
by Alexandru Zara, Raluca Marinica Albu, Iuliana Stoica, Andreea Irina Barzic, Dan Gheorghe Dimitriu and Dana Ortansa Dorohoi
Int. J. Mol. Sci. 2024, 25(9), 4682; https://doi.org/10.3390/ijms25094682 - 25 Apr 2024
Viewed by 1080
Abstract
Investigation of chiroptical polymers in the solution phase is paramount for designing supramolecular architectures for photonic or biomedical devices. This work is devoted to the case study of poly(propylene oxide) (PPO) optical activity in several solvents: benzonitrile, carbon disulfide, chloroform, ethyl acetate, and [...] Read more.
Investigation of chiroptical polymers in the solution phase is paramount for designing supramolecular architectures for photonic or biomedical devices. This work is devoted to the case study of poly(propylene oxide) (PPO) optical activity in several solvents: benzonitrile, carbon disulfide, chloroform, ethyl acetate, and p-dioxane. To attain information on the interactions in these systems, rheological testing was undertaken, showing distinct variations of the rheological parameters as a function of the solvent type. These aspects are also reflected in the refractive index dispersive behavior, from which linear and non-linear optical properties are extracted. To determine the circular birefringence and specific rotation of the PPO solutions, the alternative method of the channeled spectra was employed. The spectral data were correlated with the molecular modeling of the PPO structural unit in the selected solvents. Density functional theory (DFT) computational data indicated that the torsional potential energy—related to the O1-C2-C3-O4 dihedral angle from the polymer repeating unit—was hindered in solvation environments characterized by high polarity and the ability to interact via hydrogen bonding. This was in agreement with the optical characterization of the samples, which indicated a lower circular birefringence and specific rotation for the solutions of PPO in ethyl acetate and p-dioxane. Also, the shape of optical rotatory dispersion curves was slightly modified for PPO in these solvents compared with the other ones. Full article
(This article belongs to the Special Issue Recent Research in Supramolecular Chemistry)
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15 pages, 764 KiB  
Article
Simultaneous Determination of Enantiomeric Purity and Organic Impurities of Dexketoprofen Using Reversed-Phase Liquid Chromatography—Enhancing Enantioselectivity through Hysteretic Behavior and Temperature-Dependent Enantiomer Elution Order Reversal on Polysaccharide Chiral Stationary Phases
by Máté Dobó, Gergely Dombi, István Köteles, Béla Fiser, Csenge Kis, Zoltán-István Szabó and Gergő Tóth
Int. J. Mol. Sci. 2024, 25(5), 2697; https://doi.org/10.3390/ijms25052697 - 26 Feb 2024
Cited by 4 | Viewed by 2261
Abstract
A reversed-phase high-performance liquid chromatographic (HPLC) method was developed for the simultaneous determination of the potential impurities of dexketoprofen, including the distomer R-ketoprofen. After screening the separation capability of four polysaccharide columns (Lux Amylose-1, Lux Amylose-2, Lux Cellulose-1 and Lux Cellulose-2) in polar [...] Read more.
A reversed-phase high-performance liquid chromatographic (HPLC) method was developed for the simultaneous determination of the potential impurities of dexketoprofen, including the distomer R-ketoprofen. After screening the separation capability of four polysaccharide columns (Lux Amylose-1, Lux Amylose-2, Lux Cellulose-1 and Lux Cellulose-2) in polar organic and in reversed-phase modes, appropriate enantioseparation was observed only on the Lux Amylose-2 column in an acidified acetonitrile/water mixture. A detailed investigation of the mobile phase composition and temperature for enantio- and chemoselectivity showed many unexpected observations. It was observed that both the resolution and the enantiomer elution order can be fine-tuned by varying the temperature and mobile phase composition. Moreover, hysteresis of the retention times and enantioselectivity was also observed in reversed-phase mode using methanol/water mixtures on amylose-type columns. This could indicate that the three-dimensional structure of the amylose column can change by transitioning from a polar organic to a reversed-phase mode, which affects the enantioseparation process. Temperature-dependent enantiomer elution order and rare enthalpic/entropic controlled enantioseparation in the operative temperature range were also observed in reversed-phase mode. To find the best methodological conditions for the determination of dexketoprofen impurities, a full factorial optimization design was performed. Using the optimized parameters (Lux Amylose-2 column with water/acetonitrile/acetic acid 50/50/0.1 (v/v/v) at a 1 mL/min flow rate at 20 °C), baseline separations were achieved between all compounds within 15 min. Our newly developed HPLC method was validated according to the current guidelines, and its application was tested on commercially available pharmaceutical formulations. According to the authors’ knowledge, this is the first study to report hysteretic behavior on polysaccharide columns in reversed-phase mode. Full article
(This article belongs to the Special Issue Recent Research in Supramolecular Chemistry)
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