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Special Issue "Calixarenes, Pillararenes, and Cucurbiturils"

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

Deadline for manuscript submissions: closed (31 August 2017)

Special Issue Editors

Guest Editor
Dr. Peter Cragg

Pharmacy and Biomolecular Sciences Moulsecoomb, University of Brighton, Brighton, UK
Website | E-Mail
Interests: supramolecular chemistry; computational chemistry; sensors; pillar[5]arenes
Guest Editor
Prof. Dr. Carl Redshaw

School of Mathematics & Physical Sciences, University of Hull, Hull, UK
Website | E-Mail
Interests: calixarenes; coordination chemistry’ catalysis; polymers; imaging and anti-cancer agents

Special Issue Information

Dear Colleagues,

Calixarenes, pillararenes and cucurbiturils are all structurally similar yet versatile macrocycles. Different sizes of each are now readily accessible, and this has allowed their properties to be investigated. Results to date indicated their ability to exhibit useful host-guest properties, which has led to applications in areas such as sensors. Furthermore, these macrocycles can act as ligands and their coordination chemistry is now opening up new avenues of research in catalysis, medicine and beyond. In this Special Issue, we welcome research articles in all areas concerned with these three types of macrocycles and related systems including new synthetic routes, structural aspects and applications.

Dr. Peter Cragg
Prof. Dr. Carl Redshaw
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 papers will be 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 monthly 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 1800 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

  • calixarene
  • pillararene
  • cucurbituril
  • macrocycles

Published Papers (6 papers)

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Research

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Open AccessFeature PaperArticle Calixarenes as High Temperature Matrices for Thermally Activated Delayed Fluorescence: C70 in Dihomooxacalix[4]arene
Molecules 2018, 23(3), 558; https://doi.org/10.3390/molecules23030558
Received: 6 February 2018 / Revised: 26 February 2018 / Accepted: 27 February 2018 / Published: 2 March 2018
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Abstract
Thermally activated delayed fluorescence (TADF) of 12C70 and 13C70 was observed up to 140 °C in a p-tert-butyldihomooxacalix[4]arene solid matrix, a temperature range significantly higher than that of previous TADF quantitative studies. An effective singlet–triplet energy gap of
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Thermally activated delayed fluorescence (TADF) of 12C70 and 13C70 was observed up to 140 °C in a p-tert-butyldihomooxacalix[4]arene solid matrix, a temperature range significantly higher than that of previous TADF quantitative studies. An effective singlet–triplet energy gap of 29 kJ/mol and triplet formation quantum yields of 0.97 and 0.99 were measured for 12C70 and 13C70, respectively. The photophysical properties of the two fullerenes in this new matrix are comparable to those obtained in polystyrene at a lower temperature range. Calixarenes are proposed to be suitable matrices for high temperature TADF studies and applications. Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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Open AccessArticle Comparison of Binding Affinities of Water-Soluble Calixarenes with the Organophosphorus Nerve Agent Soman (GD) and Commonly-Used Nerve Agent Simulants
Molecules 2018, 23(1), 207; https://doi.org/10.3390/molecules23010207
Received: 9 November 2017 / Revised: 9 January 2018 / Accepted: 14 January 2018 / Published: 19 January 2018
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Abstract
The formation of inclusion complexes of the water-soluble p-sulfonatocalix[n]arenes, where n = 4 or 6, with the Chemical Warfare Agent (CWA) GD, or Soman, and commonly used dialkyl methylphosphonate simulants has been studied by experimental solution NMR methods and by
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The formation of inclusion complexes of the water-soluble p-sulfonatocalix[n]arenes, where n = 4 or 6, with the Chemical Warfare Agent (CWA) GD, or Soman, and commonly used dialkyl methylphosphonate simulants has been studied by experimental solution NMR methods and by Molecular Mechanics (MMFF) and semi-empirical (PM6) calculations. Complex formation in non-buffered and buffered solutions is driven by the hydrophobic effect, and complex stoichiometry determined as 1:1 for all host:guest pairs. Low affinity complexes (Kassoc < 100 M−1) are observed for all guests, attributed to poor host–guest complementarity and the role of buffer cation species accounts for the low affinity of the complexes. Comparison of CWA and simulant behavior adds to understanding of CWA–simulant correlations and the challenges of simulant selection. Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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Open AccessFeature PaperCommunication Host-Guest Interaction of Cucurbit[8]uril with N-(3-Aminopropyl)cyclohexylamine: Cyclohexyl Encapsulation Triggered Ternary Complex
Molecules 2018, 23(1), 175; https://doi.org/10.3390/molecules23010175
Received: 8 December 2017 / Revised: 10 January 2018 / Accepted: 10 January 2018 / Published: 15 January 2018
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Abstract
The host-guest interaction of a series of cyclohexyl-appended guests with cucurbit[8]uril (Q[8]) was studied by 1H NMR spectroscopy, isothermal titration calorimetry (ITC), and X-ray crystallography. The X-ray structure revealed that two cycloalkane moieties can be simultaneously encapsulated in the hydrophobic cavity of
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The host-guest interaction of a series of cyclohexyl-appended guests with cucurbit[8]uril (Q[8]) was studied by 1H NMR spectroscopy, isothermal titration calorimetry (ITC), and X-ray crystallography. The X-ray structure revealed that two cycloalkane moieties can be simultaneously encapsulated in the hydrophobic cavity of the Q[8] host to form a ternary complex for the first time. Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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Graphical abstract

Open AccessFeature PaperArticle Synthesis and Structure of the Inclusion Complex {NdQ[5]K@Q[10](H2O)4}·4NO3·20H2O
Molecules 2017, 22(7), 1147; https://doi.org/10.3390/molecules22071147
Received: 23 June 2017 / Revised: 5 July 2017 / Accepted: 6 July 2017 / Published: 9 July 2017
Cited by 2 | PDF Full-text (4634 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Heating a mixture of Nd(NO3)3·6H2O, KCl, Q[10] and Q[5] in HCl for 10 min affords the inclusion complex {NdQ[5]K@Q[10](H2O)4}·4NO3·20H2O. The structure of the inclusion complex has been investigated by single crystal X-ray diffraction and by X-ray Photoelectron spectroscopy (XPS). Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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Open AccessArticle Inclusion Complexes of a New Family of Non-Ionic Amphiphilic Dendrocalix[4]arene and Poorly Water-Soluble Drugs Naproxen and Ibuprofen
Molecules 2017, 22(5), 783; https://doi.org/10.3390/molecules22050783
Received: 12 April 2017 / Revised: 9 May 2017 / Accepted: 9 May 2017 / Published: 11 May 2017
Cited by 1 | PDF Full-text (4400 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The inclusion complexes of a new family of nonionic amphiphilic calix[4]arenes with the anti-inflammatory hydrophobic drugs naproxen (NAP) and ibuprofen (IBP) were investigated. The effects of the alkyl chain’s length and the inner core of calix[4]arenes on the interaction of the two drugs
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The inclusion complexes of a new family of nonionic amphiphilic calix[4]arenes with the anti-inflammatory hydrophobic drugs naproxen (NAP) and ibuprofen (IBP) were investigated. The effects of the alkyl chain’s length and the inner core of calix[4]arenes on the interaction of the two drugs with the calix[4]arenes were explored. The inclusion complexes of Amphiphiles 1ac with NAP and IBP increased the solubility of these drugs in aqueous media. The interaction of 1ac with the drugs in aqueous media was investigated through fluorescence, molecular modeling, and 1H-NMR analysis. TEM studies further supported the formation of inclusion complexes. The length of lipophilic alkyl chains and the intrinsic cyclic nature of cailx[4]arene derivatives 1ac were found to have a significant impact on the solubility of NAP and IBP in pure water. Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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Review

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Open AccessFeature PaperReview Fluorescence Resonance Energy Transfer Systems in Supramolecular Macrocyclic Chemistry
Molecules 2017, 22(10), 1640; https://doi.org/10.3390/molecules22101640
Received: 31 August 2017 / Revised: 25 September 2017 / Accepted: 28 September 2017 / Published: 29 September 2017
Cited by 8 | PDF Full-text (2594 KB) | HTML Full-text | XML Full-text
Abstract
The fabrication of smart materials is gradually becoming a research focus in nanotechnology and materials science. An important criterion of smart materials is the capacity of stimuli-responsiveness, while another lies in selective recognition. Accordingly, supramolecular host-guest chemistry has proven a promising support for
[...] Read more.
The fabrication of smart materials is gradually becoming a research focus in nanotechnology and materials science. An important criterion of smart materials is the capacity of stimuli-responsiveness, while another lies in selective recognition. Accordingly, supramolecular host-guest chemistry has proven a promising support for building intelligent, responsive systems; hence, synthetic macrocyclic hosts, such as calixarenes, cucurbiturils, cyclodextrins, and pillararenes, have been used as ideal building blocks. Meanwhile, manipulating and harnessing light artificially is always an intensive attempt for scientists in order to meet the urgent demands of technological developments. Fluorescence resonance energy transfer (FRET), known as a well-studied luminescent activity and also a powerful tool in spectroscopic area, has been investigated from various facets, of which the application range has been broadly expanded. In this review, the innovative collaboration between FRET and supramolecular macrocyclic chemistry will be presented and depicted with typical examples. Facilitated by the dynamic features of supramolecular macrocyclic motifs, a large variety of FRET systems have been designed and organized, resulting in promising optical materials with potential for applications in protein assembly, enzyme assays, diagnosis, drug delivery monitoring, sensing, photosynthesis mimicking and chemical encryption. Full article
(This article belongs to the Special Issue Calixarenes, Pillararenes, and Cucurbiturils)
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