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Supramolecular Receptors for Cations and Anions

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: 20 January 2025 | Viewed by 1316

Special Issue Editors


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Guest Editor
Department of Chemistry, Faculty of Science, University of Zagreb, Zagreb, Croatia
Interests: ion recognition; supramolecular thermodynamics; cyclopeptide anion sensors; calixarene cation receptors; stability constants determination; titration experiments; molecular dynamics simulations; data processing; regression analysis

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Guest Editor
Department of Chemistry, Faculty of Science, University of Zagreb, Zagreb, Croatia
Interests: physical supramolecular chemistry; thermodynamics and kinetics of coordination reactions; solvation phenomena; electrolyte solutions; chemometrics
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Special Issue Information

Dear Colleagues,

I am happy to invite you to present your research in the Special Issue on “Supramolecular Receptors for Cations and Anions”.

The design and synthesis of host molecules that can readily accommodate charged species is one of the major objectives in the field of supramolecular chemistry. There are numerous references in the literature describing supramolecules that are versatile or selective receptors for cations and anions. This body of knowledge constitutes a large portion of modern supramolecular chemistry and is applicable to real-world problems, such as ion sensing in solution or in vivo, the extraction of toxic charged pollutants, or solvent purification. Still, further research lies ahead at the border of familiar ion receptor chemical space, pushed by the innovative usage of experimental and computational methods.

The ever-expanding interest in the description and characterization of ion complexes with supramolecules is reflected in the topic of this Special Issue. I am sure that this specific collection of scientific contributions, in the form of experimental and computational research communications/articles or reviews, will stand as a valuable reference for the current progress in the field of supramolecular receptors for cations and anions. 

Dr. Gordan Horvat
Prof. Dr. Vladislav Tomišić
Guest Editors

Manuscript Submission Information

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Keywords

  • supramolecular ion sensors
  • thermodynamics and kinetics of ion binding
  • ion detection and recognition
  • stability constant determination
  • reaction kinetics measurements

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Published Papers (1 paper)

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Research

19 pages, 3379 KiB  
Article
Anion-Binding Properties of Short Linear Homopeptides
by Matija Modrušan, Lucija Glazer, Lucija Otmačić, Ivo Crnolatac, Nikola Cindro, Nikolina Vidović, Ivo Piantanida, Giovanna Speranza, Gordan Horvat and Vladislav Tomišić
Int. J. Mol. Sci. 2024, 25(10), 5235; https://doi.org/10.3390/ijms25105235 - 11 May 2024
Viewed by 637
Abstract
A comprehensive thermodynamic and structural study of the complexation affinities of tetra (L1), penta (L2), and hexaphenylalanine (L3) linear peptides towards several inorganic anions in acetonitrile (MeCN) and N,N-dimethylformamide (DMF) was carried out. The [...] Read more.
A comprehensive thermodynamic and structural study of the complexation affinities of tetra (L1), penta (L2), and hexaphenylalanine (L3) linear peptides towards several inorganic anions in acetonitrile (MeCN) and N,N-dimethylformamide (DMF) was carried out. The influence of the chain length on the complexation thermodynamics and structural changes upon anion binding are particularly addressed here. The complexation processes were characterized by means of spectrofluorimetric, 1H NMR, microcalorimetric, and circular dichroism spectroscopy titrations. The results indicate that all three peptides formed complexes of 1:1 stoichiometry with chloride, bromide, hydrogen sulfate, dihydrogen phosphate (DHP), and nitrate anions in acetonitrile and DMF. In the case of hydrogen sulfate and DHP, anion complexes of higher stoichiometries were observed as well, namely those with 1:2 and 2:1 (peptide:anion) complexes. Anion-induced peptide backbone structural changes were studied by molecular dynamic simulations. The anions interacted with backbone amide protons and one of the N-terminal amine protons through hydrogen bonding. Due to the anion binding, the main chain of the studied peptides changed its conformation from elongated to quasi-cyclic in all 1:1 complexes. The accomplishment of such a conformation is especially important for cyclopeptide synthesis in the head-to-tail macrocyclization step, since it is most suitable for ring closure. In addition, the studied peptides can act as versatile ionophores, facilitating transmembrane anion transport. Full article
(This article belongs to the Special Issue Supramolecular Receptors for Cations and Anions)
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