Literature DB >> 27314430

Protons and Hydroxide Ions in Aqueous Systems.

Noam Agmon1, Huib J Bakker2, R Kramer Campen3, Richard H Henchman4, Peter Pohl5, Sylvie Roke6, Martin Thämer3,7, Ali Hassanali8.   

Abstract

Understanding the structure and dynamin class="Gene">cs of water's constituent ions, proton and hydroxide, has been a subject of numerous experimental and theoretical studies over the last century. Besides their obvious importance in acid-base chemistry, these ions play an important role in numerous applications ranging from enzyme catalysis to environmental chemistry. Despite a long history of research, many fundamental issues regarding their properties continue to be an active area of research. Here, we provide a review of the experimental and theoretical advances made in the last several decades in understanding the structure, dynamics, and transport of the proton and hydroxide ions in different aqueous environments, ranging from water clusters to the bulk liquid and its interfaces with hydrophobic surfaces. The propensity of these ions to accumulate at hydrophobic surfaces has been a subject of intense debate, and we highlight the open issues and challenges in this area. Biological applications reviewed include proton transport along the hydration layer of various membranes and through channel proteins, problems that are at the core of cellular bioenergetics.

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Year:  2016        PMID: 27314430      PMCID: PMC7116074          DOI: 10.1021/acs.chemrev.5b00736

Source DB:  PubMed          Journal:  Chem Rev        ISSN: 0009-2665            Impact factor:   60.622


  178 in total

1.  Molecular dynamics simulation of proton transport near the surface of a phospholipid membrane.

Authors:  Alexander M Smondyrev; Gregory A Voth
Journal:  Biophys J       Date:  2002-03       Impact factor: 4.033

Review 2.  Chance and design--proton transfer in water, channels and bioenergetic proteins.

Authors:  Colin A Wraight
Journal:  Biochim Biophys Acta       Date:  2006-07-14

3.  Gas-phase infrared spectroscopy and multidimensional quantum calculations of the protonated ammonia dimer N2H7+.

Authors:  Knut R Asmis; Yonggang Yang; Gabriele Santambrogio; Mathias Brümmer; J Robert Roscioli; Laura R McCunn; Mark A Johnson; Oliver Kühn
Journal:  Angew Chem Int Ed Engl       Date:  2007       Impact factor: 15.336

4.  Hydrated excess proton at water-hydrophobic interfaces.

Authors:  Satoru Iuchi; Hanning Chen; Francesco Paesani; Gregory A Voth
Journal:  J Phys Chem B       Date:  2009-04-02       Impact factor: 2.991

5.  Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective.

Authors:  Marcel D Baer; I-Feng W Kuo; Douglas J Tobias; Christopher J Mundy
Journal:  J Phys Chem B       Date:  2014-05-12       Impact factor: 2.991

6.  Lifetimes of excess protons in water using a dissociative water potential.

Authors:  Glenn K Lockwood; Stephen H Garofalini
Journal:  J Phys Chem B       Date:  2013-04-08       Impact factor: 2.991

7.  Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base.

Authors:  Jérôme Cuny; Ali A Hassanali
Journal:  J Phys Chem B       Date:  2014-11-21       Impact factor: 2.991

8.  Solvation structures of protons and hydroxide ions in water.

Authors:  Chen Chen; Congcong Huang; Iradwikanari Waluyo; Dennis Nordlund; Tsu-Chien Weng; Dimosthenis Sokaras; Thomas Weiss; Uwe Bergmann; Lars G M Pettersson; Anders Nilsson
Journal:  J Chem Phys       Date:  2013-04-21       Impact factor: 3.488

9.  Lateral proton conduction in mixed monolayers of phosphatidylethanolamine and cetyltrimethylammonium bromide.

Authors:  B Gabriel; M Prats; J Teissié
Journal:  Biochemistry       Date:  1991-09-24       Impact factor: 3.162

10.  An explanation for the charge on water's surface.

Authors:  Angus Gray-Weale; James K Beattie
Journal:  Phys Chem Chem Phys       Date:  2009-09-25       Impact factor: 3.676

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  43 in total

1.  Reply to Colussi: Microdroplet interfacial pH, the ongoing discussion.

Authors:  Peter J Vikesland; Haoran Wei; Qishen Huang; Huiyuan Guo; Linsey C Marr
Journal:  Proc Natl Acad Sci U S A       Date:  2018-08-03       Impact factor: 11.205

Review 2.  Competing for the same space: protons and alkali ions at the interface of phospholipid bilayers.

Authors:  Evelyne Deplazes; Jacqueline White; Christopher Murphy; Charles G Cranfield; Alvaro Garcia
Journal:  Biophys Rev       Date:  2019-05-21

3.  Local initiation conditions for water autoionization.

Authors:  Mahmoud Moqadam; Anders Lervik; Enrico Riccardi; Vishwesh Venkatraman; Bjørn Kåre Alsberg; Titus S van Erp
Journal:  Proc Natl Acad Sci U S A       Date:  2018-04-30       Impact factor: 11.205

4.  Classical Molecular Dynamics with Mobile Protons.

Authors:  Themis Lazaridis; Gerhard Hummer
Journal:  J Chem Inf Model       Date:  2017-11-14       Impact factor: 4.956

5.  SEIRAS Study of Chloride-Mediated Polyether Adsorption on Cu.

Authors:  Guo-Kun Liu; Shouzhong Zou; Daniel Josell; Lee J Richter; Thomas P Moffat
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2018       Impact factor: 4.126

6.  Mechanism of Long-Chain Free Fatty Acid Protonation at the Membrane-Water Interface.

Authors:  Alina A Pashkovskaya; Mario Vazdar; Lars Zimmermann; Olga Jovanovic; Peter Pohl; Elena E Pohl
Journal:  Biophys J       Date:  2018-05-08       Impact factor: 4.033

7.  Unveiling Zwitterionization of Glycine in the Microhydration Limit.

Authors:  Ravi Tripathi; Laura Durán Caballero; Ricardo Pérez de Tudela; Christoph Hölzl; Dominik Marx
Journal:  ACS Omega       Date:  2021-05-07

8.  A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils.

Authors:  Luca Grisanti; Dorothea Pinotsi; Ralph Gebauer; Gabriele S Kaminski Schierle; Ali A Hassanali
Journal:  Phys Chem Chem Phys       Date:  2017-02-01       Impact factor: 3.945

9.  A critical analysis of electrospray techniques for the determination of accelerated rates and mechanisms of chemical reactions in droplets.

Authors:  Grazia Rovelli; Michael I Jacobs; Megan D Willis; Rebecca J Rapf; Alexander M Prophet; Kevin R Wilson
Journal:  Chem Sci       Date:  2020-10-26       Impact factor: 9.825

10.  OH- and H3O+ Diffusion in Model AEMs and PEMs at Low Hydration: Insights from Ab Initio Molecular Dynamics.

Authors:  Tamar Zelovich; Mark E Tuckerman
Journal:  Membranes (Basel)       Date:  2021-05-12
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