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Recent Advances in Supramolecular Chemistry and Self-Assembly

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Macromolecular Chemistry".

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 3600

Special Issue Editor

Department of Chemistry, College of Sciences, Northeastern University, Shenyang 110819, China
Interests: supramolecular chemistry; responsive self-assembly; supramolecular coordination complexes and functional materials based on host–guest chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Supramolecular chemistry is the chemistry of molecular aggregates based on noncovalent bond interactions. Self-assembly is the key of supramolecular chemistry. Macrocyclic host compounds are important research topics in supramolecular chemistry. The coming of any new generation of macrocycles can not only greatly enrich the research content of supramolecular chemistry but also accelerate the development of supramolecular chemistry. Macrocyclic hosts, such as crown ethers, cyclodextrins, calixarenes, cucurbiturils, pillararenes, biphenarenes and metallacycles, play an extremely important role in constructing functional supramolecular self-assembled materials. Up to now, functional supramolecular self-assembled systems based on macrocyclic hosts have been widely used in the fields of molecular machines, supramolecular amphiphiles, macrocyclic amphiphiles, supramolecular polymers, drug delivery systems and adsorptive separation processes.

This Special Issue will focus on recent innovative developments in supramolecular chemistry and self-assembly fields, especially the functional supramolecular self-assembled materials based on macrocyclic hosts.

Considering your contribution to this interesting research field, I would like to invite you to submit an article to this Special Issue. Full research papers, communications, and review articles are welcome.

Prof. Dr. Jiong Zhou
Guest Editor

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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). 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

  • supramolecular chemistry
  • self-assembly
  • macrocycle
  • cage
  • supramolecular theranostics
  • supramolecular polymer
  • supramolecular catalysis
  • supramolecular separation

Published Papers (2 papers)

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Research

13 pages, 4338 KiB  
Article
Silylated-Acetylated Cyclodextrins as Chiral Sensors for the Enantiodiscrimination of Fluorinated Anesthetics
by Alessandra Recchimurzo, Federica Balzano, Gloria Uccello Barretta, Luca Gherardi, Milo Malanga and Federica Aiello
Molecules 2023, 28(6), 2804; https://doi.org/10.3390/molecules28062804 - 20 Mar 2023
Viewed by 1300
Abstract
Silylated-acetylated cyclodextrin (CD) derivatives have recently been investigated, via nuclear magnetic resonance (NMR) spectroscopy, as chiral sensors for substrates that are endowed and devoid of fluorine atoms, and the importance of Si-F interaction in the discrimination phenomena has been assessed. Here, the contributions [...] Read more.
Silylated-acetylated cyclodextrin (CD) derivatives have recently been investigated, via nuclear magnetic resonance (NMR) spectroscopy, as chiral sensors for substrates that are endowed and devoid of fluorine atoms, and the importance of Si-F interaction in the discrimination phenomena has been assessed. Here, the contributions of both superficial interactions and inclusion processes were further evaluated by extending the records to other chiral fluorinated substrates of interest for pharmaceutical applications. Non-equivalences were measured for both the 1H and 19F resonances in equimolar mixtures with the CDs; the promising results also supported the use of chiral sensors in sub-stoichiometric amounts. Finally, the occurrence of inclusion processes was evaluated by analyzing the intermolecular dipolar interactions by means of ROESY (Rotating-frame Overhauser Enhancement Spectroscopy) experiments. The study confirmed that the γCD derivative is the best chiral solvating agent for the fluorinated substrates investigated, likely due to the higher number of silyl moieties that can be involved in Si-F interactions. The contribution of inclusion processes to the enantiodiscrimination was also confirmed by comparison with the α- and β-analogues. Overall, the CD derivatives proved to be able to discriminate fluorinated substrates even when used in sub-stoichiometric amounts. Full article
(This article belongs to the Special Issue Recent Advances in Supramolecular Chemistry and Self-Assembly)
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14 pages, 46431 KiB  
Article
Influence of Multiple Binding Sites on the Supramolecular Assembly of N-[(3-pyridinylamino) Thioxomethyl] Carbamates
by Kelly N. Shunje, Boris B. Averkiev and Christer B. Aakeröy
Molecules 2022, 27(12), 3685; https://doi.org/10.3390/molecules27123685 - 08 Jun 2022
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Abstract
In this study, we investigated how the presence of multiple intermolecular interaction sites influences the heteromeric supramolecular assembly of N-[(3-pyridinylamino) thioxomethyl] carbamates with fluoroiodobenzenes. Three targets—R-N-[(3-pyridinylamino) thioxomethyl] carbamate (R = methyl, ethyl, and isobutyl)—were selected and crystallized, resulting in three [...] Read more.
In this study, we investigated how the presence of multiple intermolecular interaction sites influences the heteromeric supramolecular assembly of N-[(3-pyridinylamino) thioxomethyl] carbamates with fluoroiodobenzenes. Three targets—R-N-[(3-pyridinylamino) thioxomethyl] carbamate (R = methyl, ethyl, and isobutyl)—were selected and crystallized, resulting in three parent structures, five co-crystals, and one co-crystal solvate. Three hydrogen-bonded parent crystal structures were stabilized by N-H···N hydrogen bonding and assembled into layers that stacked on top of one another. Molecular electrostatic potential surfaces were employed to rank binding sites (Npyr > C=S > C=O) in order to predict the dominant interactions. The N-H⋯H hydrogen bond was replaced by I⋯Npyr in 3/6 cases, I⋯C=S in 4/6 cases, and I⋯O=C in 1 case. Interestingly, the I⋯C=S halogen bond coexisted twice with I⋯Npyr and I⋯O=C. Overall, the MEPs were fairly reliable for predicting co-crystallization outcomes; however, it is crucial to also consider factors such as molecular flexibility. Finally, halogen-bond donors are capable of competing for acceptor sites, even in the presence of strong hydrogen-bond donors. Full article
(This article belongs to the Special Issue Recent Advances in Supramolecular Chemistry and Self-Assembly)
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