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Special Issue "Host-Guest Chemistry"

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

Deadline for manuscript submissions: closed (15 July 2015)

Special Issue Editor

Guest Editor
Dr. David B. Smithrud (Website)

Department of Chemistry, University of Cincinnati, Cincinnati, OH 45221, USA
Interests: molecular recognition; cell transport; DNA binding agents; peptidomimetics; host-guest chemistry; catalysis; synthesis

Special Issue Information

Dear Colleagues,

In life, noncovalent complexation precludes the formation of covalent bonds and is a crucial step in signaling events. Chemists have spent many years constructing covalently linked hosts to replicate the noncovalent complexes observed in nature. The first generation of hosts formed strong noncovalent bonds with a guest through rigid pockets that matched a guest’s size. Although able to form tight complexes with some selectivity, these hosts did not achieve the very large association constants observed in nature and lacked function. The scope of this Special Issue highlights the newest approaches in constructing hosts to maximize guest association and perform function through dynamic motion.

Dr. David B. Smithrud
Guest Editor

Submission

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. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as 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 refereed through a 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).

Keywords

  • host-guest
  • molecular recognition
  • sensors
  • biomimetics
  • protein mimetics

Published Papers (4 papers)

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Research

Open AccessArticle A Versatile Axle for the Construction of Disassemblage Rotaxanes
Molecules 2016, 21(8), 1043; doi:10.3390/molecules21081043
Received: 30 June 2016 / Revised: 2 August 2016 / Accepted: 4 August 2016 / Published: 10 August 2016
PDF Full-text (1044 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Rotaxanes are unique mechanical devices that hold great promise as sensors. We report on two new rotaxanes that contain an acid or base sensitive trigger and readily disassemble in a wide range of environments. Disassemblage was observed under TLC and 1H-NMR [...] Read more.
Rotaxanes are unique mechanical devices that hold great promise as sensors. We report on two new rotaxanes that contain an acid or base sensitive trigger and readily disassemble in a wide range of environments. Disassemblage was observed under TLC and 1H-NMR analysis. The axle is highly charged, which enhances solubility in aqueous environments, and can be readily derivatized with sensor components. The trigger was swapped in a one-pot method, which is promising for the rapid production of a series of sensors. Full article
(This article belongs to the Special Issue Host-Guest Chemistry)
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Open AccessArticle The Effect of Number and Position of P=O/P=S Bridging Units on Cavitand Selectivity toward Methyl Ammonium Salts
Molecules 2015, 20(3), 4460-4472; doi:10.3390/molecules20034460
Received: 12 February 2015 / Revised: 2 March 2015 / Accepted: 5 March 2015 / Published: 10 March 2015
PDF Full-text (1027 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The present work reports the synthesis and complexation properties of five mixed bridge P=O/P=S cavitands toward N,N-methyl butyl ammonium chloride (1) as prototype guest. The influence of number and position of P=O and P=S groups on the affinity of [...] Read more.
The present work reports the synthesis and complexation properties of five mixed bridge P=O/P=S cavitands toward N,N-methyl butyl ammonium chloride (1) as prototype guest. The influence of number and position of P=O and P=S groups on the affinity of phosphonate cavitands toward 1 is assessed via ITC titrations in DCE as solvent. Comparison of the resulting Kass values, the enthalpic and entropic contributions to the overall binding with those of the parent tetraphosphonate Tiiii and tetrathiophosphonate TSiiii cavitands allows one to single out the simultaneous dual H-bond between the cavitand and the salt as the major player in complexation. Full article
(This article belongs to the Special Issue Host-Guest Chemistry)
Open AccessArticle Investigation of Structural Mimetics of Natural Phosphate Ion Binding Motifs
Molecules 2015, 20(2), 3354-3370; doi:10.3390/molecules20023354
Received: 27 December 2014 / Revised: 19 January 2015 / Accepted: 12 February 2015 / Published: 16 February 2015
Cited by 3 | PDF Full-text (2646 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
Phosphates are ubiquitous in biology and nearly half of all proteins interact with their partners by means of recognition of phosphate residues. Therefore, a better understanding of the phosphate ion binding by peptidic structures is highly desirable. Two new receptors have been [...] Read more.
Phosphates are ubiquitous in biology and nearly half of all proteins interact with their partners by means of recognition of phosphate residues. Therefore, a better understanding of the phosphate ion binding by peptidic structures is highly desirable. Two new receptors have been designed and synthesized and their anion binding properties in an acetonitrile solution have been determined. The structure of hosts mimics a part of the kinase active site that is responsible for the recognition of the phosphate residue. New hosts contain additional free amino groups with the aim to facilitate coordination of protonated anions, such as dihydrogen phosphate. According to spectrophotometric measurements, stepwise 1:1 and 1:2 binding modes have been observed for both receptors in the presence of acetate, hydrogen sulfate and dihydrogen phosphate. Compared with the acyclic receptor, the macrocyclic receptor has demonstrated a remarkably enhanced selectivity for dihydrogen phosphate over other anions. Fluorometric measurements have revealed different responses of the acyclic and macrocyclic receptors towards anions. However, in both cases, a 5–8 nm hypsochromic shift of fluorescence maximum has been observed upon interaction of acetate and dihydrogen phosphate with receptors. Full article
(This article belongs to the Special Issue Host-Guest Chemistry)
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Open AccessArticle A Redox-Controllable Molecular Switch Based on Weak Recognition of BPX26C6 at a Diphenylurea Station
Molecules 2015, 20(2), 1775-1787; doi:10.3390/molecules20021775
Received: 9 December 2014 / Revised: 8 January 2015 / Accepted: 15 January 2015 / Published: 22 January 2015
PDF Full-text (1598 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The Na+ ion–assisted recognition of urea derivatives by BPX26C6 has allowed the construction of a redox-controllable [2]rotaxane-type molecular switch based on two originally very weakly interacting host/guest systems. Using NOBF4 to oxidize the triarylamine terminus into a corresponding radical cation [...] Read more.
The Na+ ion–assisted recognition of urea derivatives by BPX26C6 has allowed the construction of a redox-controllable [2]rotaxane-type molecular switch based on two originally very weakly interacting host/guest systems. Using NOBF4 to oxidize the triarylamine terminus into a corresponding radical cation attracted the macrocyclic component toward its adjacent carbamate station; subsequent addition of Zn powder moved the macrocyclic component back to its urea station. Full article
(This article belongs to the Special Issue Host-Guest Chemistry)
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