Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
6.7
4.6
Journals
Molecules
Special Issues
Noncovalent Interactions and Supramolecular Complex Formation
molecules-logo
Submit to Molecules Review for Molecules Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Noncovalent Interactions and Supramolecular Complex Formation

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

Deadline for manuscript submissions: closed (1 August 2019) | Viewed by 12452

Special Issue Editor

Dr. Jennifer R. Hiscock

E-Mail Website
Guest Editor
School of Physical Sciences, Ingram Building, University of Kent, Canterbury CT2 7NH, UK
Interests: self-association; hydrogen bonding; amphiphiles; antimicrobial development; anticancer drug development; membranes; host-guest chemistry

Special Issue Information

Dear Colleagues,

This Special Issue is related to the Macrocyclic and Supramolecular Chemistry Meeting (MASC19). This conference is to be held at the University of Kent (UK) on the 16th–17th December, 2019.

The Best Special Issue Paper Award (400 CHF, a certificate, and a chance to participate in the conference) will be selected from this Special Issue by an evaluation panel consisting of the Guest Editor and members from the Macrocyclic and Supramolecular Chemistry Meeting (2019) organising committee.

Since supramolecular chemistry was first established in the 1980s, there is no doubt growth within this area of science has led to ground-breaking advances for those interdisciplinary fields, which contribute but are not limited to the development of: Molecular sensors; materials; catalysts; bio-inspired synthetic systems; and novel drug delivery technologies. In more recent times, supramolecular chemistry has made a step-change from fundamental science to producing commercial products readily used in everyday life. However, it remains without question that these real-life applications of supramolecular chemistry have been achieved and will continue to be made possible through the investigation, understanding, and use of noncovalent bond formation at a fundamental level.

All researchers working directly within, or in areas related to, the field of Supramolecular Chemistry, are cordially invited to contribute original research papers or reviews to this Special Issue of Molecules. The aim of this Special Issue is to celebrate and further highlight the importance of novel fundamental and applied studies which focus around the formation of noncovalent interactions.

Dr. Jennifer R Hiscock
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

  • Noncovalent interactions
  • Complex formation
  • Self-association
  • Sensors
  • Materials
  • Macrocycle
  • Rotaxane
  • Cage formation

Published Papers (3 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

11 pages, 1821 KiB  
Article
Coinage-Metal Bond between [1.1.1]Propellane and M2/MCl/MCH3 (M = Cu, Ag, and Au): Cooperativity and Substituents
by Ruijing Wang, Shubin Yang and Qingzhong Li
Molecules 2019, 24(14), 2601; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24142601 - 17 Jul 2019
Cited by 14 | Viewed by 2495
Abstract
A coinage-metal bond has been predicted and characterized in the complexes of [1.1.1]propellane (P) and M2/MCl/MCH3 (M = Cu, Ag, and Au). The interaction energy varies between −16 and −47 kcal/mol, indicating that the bridgehead carbon atom of P has [...] Read more.
A coinage-metal bond has been predicted and characterized in the complexes of [1.1.1]propellane (P) and M2/MCl/MCH3 (M = Cu, Ag, and Au). The interaction energy varies between −16 and −47 kcal/mol, indicating that the bridgehead carbon atom of P has a good affinity for the coinage atom. The coinage-metal bond becomes stronger in the Ag < Cu < Au sequence. Relative to M2, both MCl and MCH3 engage in a stronger coinage-metal bond, both -Cl and -CH3 groups showing an electron-withdrawing property. The formation of coinage-metal bonding is mainly attributed to the donation orbital interactions from the occupied C-C orbital into the empty metal orbitals and a back-donation from the occupied d orbital of metal into the empty C-C anti-bonding orbital. In most complexes, the coinage-metal bond is dominated by electrostatic interaction, with moderate contribution of polarization. When P binds simultaneously with two coinage donors, negative cooperativity is found. Moreover, this cooperativity is prominent for the stronger coinage-metal bond. Full article
(This article belongs to the Special Issue Noncovalent Interactions and Supramolecular Complex Formation)
►▼ Show Figures

Graphical abstract

12 pages, 4350 KiB  
Article
Conformational and Tautomeric Control by Supramolecular Approach in Ureido-N-iso-propyl,N’-4-(3-pyridin-2-one)pyrimidine
by Adam Kwiatkowski, Erkki Kolehmainen and Borys Ośmiałowski
Molecules 2019, 24(13), 2491; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24132491 - 08 Jul 2019
Cited by 1 | Viewed by 3724
Abstract
Ureido-N-iso-propyl,N’-4-(3-pyridin-2-one)pyrimidine (1) and its 2-methoxy pyridine derivative (1Me) has been designed and prepared. The conformational equilibrium in urea moiety and tautomerism in the pyrimidine part have been investigated by variable temperature and 1H NMR [...] Read more.
Ureido-N-iso-propyl,N’-4-(3-pyridin-2-one)pyrimidine (1) and its 2-methoxy pyridine derivative (1Me) has been designed and prepared. The conformational equilibrium in urea moiety and tautomerism in the pyrimidine part have been investigated by variable temperature and 1H NMR titrations as well as DFT quantum chemical calculations. The studied compounds readily associate by triple hydrogen bonding with 2-aminonaphthyridine (A) and/or 2,6-bis(acetylamino)pyridine (B). In 1, the proton is forced to 1,3-tautomeric shift upon stimuli and keeps it position, even when one of the partners in the complex was replaced by another molecule. The observed tautomerism controlled by conformational state (kinetic trapping effect) opens new possibilities in molecular sensing that are based on the fact that reverse reaction is not preferred. Full article
(This article belongs to the Special Issue Noncovalent Interactions and Supramolecular Complex Formation)
►▼ Show Figures

Graphical abstract

10 pages, 2760 KiB  
Article
Investigating the Influence of Steric Hindrance on Selective Anion Transport
by Laura A. Jowett, Angela Ricci, Xin Wu, Ethan N. W. Howe and Philip A. Gale
Molecules 2019, 24(7), 1278; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24071278 - 02 Apr 2019
Cited by 13 | Viewed by 5590
Abstract
A series of symmetrical and unsymmetrical alkyl tren based tris-thiourea anion transporters were synthesised and their anion binding and transport properties studied. Overall, increasing the steric bulk of the substituents resulted in improved chloride binding and transport abilities. Including a macrocycle in the [...] Read more.
A series of symmetrical and unsymmetrical alkyl tren based tris-thiourea anion transporters were synthesised and their anion binding and transport properties studied. Overall, increasing the steric bulk of the substituents resulted in improved chloride binding and transport abilities. Including a macrocycle in the scaffold enhanced the selectivity of chloride transport in the presence of fatty acids, by reducing the undesired H+ flux facilitated by fatty acid flip-flop. This study demonstrates the benefit of including enforced steric hindrance and encapsulation in the design of more selective anion receptors. Full article
(This article belongs to the Special Issue Noncovalent Interactions and Supramolecular Complex Formation)
►▼ Show Figures

Graphical abstract

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-3
Back to TopTop