Literature DB >> 14961699

Salt effects on the apparent stability of the cucurbit[7]uril-methyl viologen inclusion complex.

Winston Ong1, Angel E Kaifer.   

Abstract

The effects of the medium ionic composition on the apparent equilibrium association constant (K) for the formation of a 1:1 inclusion complex between the guest methyl viologen (MV(2+)) and the host cucurbit[7]uril (CB7) were studied in aqueous solutions. The K values were found to decrease with increasing ionic strength, with more pronounced effects for solutions containing divalent Ca(2+) ions than for solutions containing monovalent Na(+) ions. The competing ion-dipole interactions between Ca(2+) or Na(+) and MV(2+) ions appear to be responsible for the remarkable modulation of the K values observed in this work.

Entities:  

Year:  2004        PMID: 14961699     DOI: 10.1021/jo035030+

Source DB:  PubMed          Journal:  J Org Chem        ISSN: 0022-3263            Impact factor:   4.354


  20 in total

1.  Supramolecular Inhibition of Neurodegeneration by a Synthetic Receptor.

Authors:  Shengke Li; Huanxian Chen; Xue Yang; David Bardelang; Ian W Wyman; Jianbo Wan; Simon M Y Lee; Ruibing Wang
Journal:  ACS Med Chem Lett       Date:  2015-10-16       Impact factor: 4.345

2.  A mechanism to signal receptor-substrate interactions with luminescent quantum dots.

Authors:  Ibrahim Yildiz; Massimiliano Tomasulo; Françisco M Raymo
Journal:  Proc Natl Acad Sci U S A       Date:  2006-07-21       Impact factor: 11.205

3.  High fidelity kinetic self-sorting in multi-component systems based on guests with multiple binding epitopes.

Authors:  Pritam Mukhopadhyay; Peter Y Zavalij; Lyle Isaacs
Journal:  J Am Chem Soc       Date:  2006-11-01       Impact factor: 15.419

4.  Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations.

Authors:  Jacob I Monroe; Michael R Shirts
Journal:  J Comput Aided Mol Des       Date:  2014-03-08       Impact factor: 3.686

5.  Overview of the SAMPL6 host-guest binding affinity prediction challenge.

Authors:  Andrea Rizzi; Steven Murkli; John N McNeill; Wei Yao; Matthew Sullivan; Michael K Gilson; Michael W Chiu; Lyle Isaacs; Bruce C Gibb; David L Mobley; John D Chodera
Journal:  J Comput Aided Mol Des       Date:  2018-11-10       Impact factor: 3.686

6.  Binding enthalpy calculations for a neutral host-guest pair yield widely divergent salt effects across water models.

Authors:  Kaifu Gao; Jian Yin; Niel M Henriksen; Andrew T Fenley; Michael K Gilson
Journal:  J Chem Theory Comput       Date:  2015-09-18       Impact factor: 6.006

7.  Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method.

Authors:  Hari S Muddana; Jian Yin; Neil V Sapra; Andrew T Fenley; Michael K Gilson
Journal:  J Comput Aided Mol Des       Date:  2014-02-08       Impact factor: 3.686

8.  Encapsulation of platinum(II)-based DNA intercalators within cucurbit[6,7,8]urils.

Authors:  Sharon Kemp; Nial J Wheate; Shaoyu Wang; J Grant Collins; Stephen F Ralph; Anthony I Day; Vincent J Higgins; Janice R Aldrich-Wright
Journal:  J Biol Inorg Chem       Date:  2007-07-25       Impact factor: 3.358

Review 9.  The SAMPL4 host-guest blind prediction challenge: an overview.

Authors:  Hari S Muddana; Andrew T Fenley; David L Mobley; Michael K Gilson
Journal:  J Comput Aided Mol Des       Date:  2014-03-06       Impact factor: 3.686

10.  Biomolecular Simulations under Realistic Macroscopic Salt Conditions.

Authors:  Gregory A Ross; Ariën S Rustenburg; Patrick B Grinaway; Josh Fass; John D Chodera
Journal:  J Phys Chem B       Date:  2018-05-31       Impact factor: 2.991

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