Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level

Ishiuchi, Shun-ichi; Wako, Hiromichi; Xantheas, Sotiris S.; Fujii, Masaaki

doi:10.1039/C8FD00186C

Title: Probing the selectivity of Li ⁺ and Na ⁺ cations on noradrenaline at the molecular level

Abstract

Noradrenaline favors an extended conformation when coordinating to Li ⁺ when compared to Na ⁺ , which may explain the tranquilizing effect of Li ⁺ .

Authors:

^[1]; Wako, Hiromichi ^[1];

^[2];

^[1]

Laboratory for Chemistry and Life Science, Institute of Innovative Research, Tokyo Institute of Technology, Yokohama, Japan
Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, Richland, USA, Department of Chemistry

Publication Date:: Thu Jul 18 00:00:00 EDT 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1515091

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Faraday Discussions

Additional Journal Information:: Journal Name: Faraday Discussions Journal Volume: 217; Journal ID: ISSN 1359-6640

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Ishiuchi, Shun-ichi, Wako, Hiromichi, Xantheas, Sotiris S., and Fujii, Masaaki. Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level.  United Kingdom: N. p., 2019. 
Web.  doi:10.1039/C8FD00186C.

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                    Ishiuchi, Shun-ichi, Wako, Hiromichi, Xantheas, Sotiris S., & Fujii, Masaaki. Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level.  United Kingdom.  https://doi.org/10.1039/C8FD00186C

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                    Ishiuchi, Shun-ichi, Wako, Hiromichi, Xantheas, Sotiris S., and Fujii, Masaaki. Thu .  
"Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level".  United Kingdom.  https://doi.org/10.1039/C8FD00186C.

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@article{osti_1515091,

  title        = {Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level},

  author       = {Ishiuchi, Shun-ichi and Wako, Hiromichi and Xantheas, Sotiris S. and Fujii, Masaaki},

  abstractNote = {Noradrenaline favors an extended conformation when coordinating to Li + when compared to Na + , which may explain the tranquilizing effect of Li + .},

  doi          = {10.1039/C8FD00186C},

  journal      = {Faraday Discussions},

  number       = ,

  volume       = 217,

  place        = {United Kingdom},

  year         = {Thu Jul 18 00:00:00 EDT 2019},

  month        = {Thu Jul 18 00:00:00 EDT 2019}

}

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Title: Probing the selectivity of Li + and Na + cations on noradrenaline at the molecular level

Abstract

Citation Formats

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Conformational Study of Catecholamines in Solution journal, October 1983

Conformationally resolved spectra of acetaminophen by UV-UV hole burning and IR dip spectroscopy in the gas phase journal, January 2013

A conformational study of protonated noradrenaline by UV–UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method journal, January 2017

Vibrational Characterization of Simple Peptides Using Cryogenic Infrared Photodissociation of H 2 -Tagged, Mass-Selected Ions journal, April 2011

The Role of Electrical Anharmonicity in the Association Band in the Water Spectrum journal, April 2014

Neurotransmitters in the gas phase: hydrated noradrenaline journal, January 2003

New Method for Double-Resonance Spectroscopy in a Cold Quadrupole Ion Trap and Its Application to UV–UV Hole-Burning Spectroscopy of Protonated Adenine Dimer journal, July 2014

Infrared Spectroscopy of Hydrated Amino Acids in the Gas Phase: Protonated and Lithiated Valine journal, January 2006

Cryogenic Ion Chemistry and Spectroscopy journal, August 2013

Single-conformation infrared spectra of model peptides in the amide I and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling journal, September 2012

Spectroscopy and conformational preferences of gas-phase helices journal, January 2009

Molecular actions and clinical pharmacogenetics of lithium therapy journal, August 2014

Probing the competition between secondary structures and local preferences in gas phase isolated peptide backbones journal, January 2006

A New, Dispersion-Driven Intermolecular Arrangement for the Benzene–Water Octamer Complex: Isomers and Analysis of their Vibrational Spectra journal, July 2016

Conformational reduction of DOPA in the gas phase studied by laser desorption supersonic jet laser spectroscopy journal, January 2011

High-cooling-efficiency cryogenic quadrupole ion trap and UV-UV hole burning spectroscopy of protonated tyrosine journal, February 2017

Hydration of neurotransmitters: a computational and spectroscopic study of a noradrenaline analogue, 2-amino-1-phenyl-ethanol journal, July 2003

UV–UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique journal, December 2014

Bottom-Up View of Water Network-Mediated CO 2 Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations journal, December 2011

A new tandem mass spectrometer for photofragment spectroscopy of cold, gas-phase molecular ions journal, July 2010

The mechanism of lithium action: state of the art, ten years later journal, May 2001

Lithium Salts in the Treatment of Psychotic Excitement journal, September 1949

Title: Probing the selectivity of Li ⁺ and Na ⁺ cations on noradrenaline at the molecular level

Direct observation of second excited 1,3 (n,π*) states of pyrazine by UV—IR double resonance dip spectroscopy
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Lithium: Bipolar disorder and neurodegenerative diseases Possible cellular mechanisms of the therapeutic effects of lithium
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Infrared–ultraviolet double resonance studies of benzene molecules in a supersonic beam
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Isotopomer-selective spectra of a single intact H2O molecule in the Cs+(D2O)5H2O isotopologue: Going beyond pattern recognition to harvest the structural information encoded in vibrational spectra
journal, February 2016

Theoretical Study of the Binding Energy of a Methane Molecule in a (H ₂ O) ₂₀ Dodecahedral Cage
journal, May 2014

Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
journal, January 2016

Vibrational predissociation spectroscopy of the H2-tagged mono- and dicarboxylate anions of dodecanedioic acid
journal, March 2011

Attention-Deficit/Hyperactivity Disorder: A Selective Overview
journal, June 2005

Infrared Ion Dip Spectroscopy of a Noradrenaline Analogue: Hydrogen Bonding in 2-Amino-1-phenylethanol and Its Singly Hydrated Complex
journal, December 1999

Gas-Phase Spectroscopy of Synephrine by Laser Desorption Supersonic Jet Technique
journal, September 2011

Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes
journal, January 2012

Revised conformational assignments and conformational evolution of tyrosine by laser desorption supersonic jet laser spectroscopy
journal, January 2013

Interaction of serotonin and melatonin with sodium, potassium, calcium, lithium and aluminium
journal, September 2001

Laser Spectroscopy of Conformationally Constrained α/β-Peptides: Ac-ACPC-Phe-NHMe and Ac-Phe-ACPC-NHMe ^†
journal, January 2010

Single-conformation spectroscopy and population analysis of model γ-peptides: New tests of amide stacking
journal, January 2011

Conformers part company
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Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide
journal, April 2012

Spectroscopic Signatures of Gas-Phase Helices: Ac-Phe-(Ala) ₅ -Lys-H ⁺ and Ac-Phe-(Ala) ₁₀ -Lys-H ⁺
journal, November 2007

Electronic structure calculations on workstation computers: The program system turbomole
journal, October 1989

Neurotransmitters in the gas phase: a computational and spectroscopic study of noradrenaline
journal, May 2003

Isomer-Specific IR–IR Double Resonance Spectroscopy of D ₂ -Tagged Protonated Dipeptides Prepared in a Cryogenic Ion Trap
journal, April 2012

A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters
journal, November 2015

UV Photofragmentation and IR Spectroscopy of Cold, G-Type β-O-4 and β–β Dilignol–Alkali Metal Complexes: Structure and Linkage-Dependent Photofragmentation
journal, February 2015

Evidence for Catechol Ring- Induced Conformational Restriction in Neurotransmitters
journal, March 2010

Conformation-specific infrared and ultraviolet spectroscopy of tyrosine-based protonated dipeptides
journal, October 2007

Norepinephrine and Dopamine Metabolites and Educational Variables in Boys With Attention Deficit Disorder and Hyperactivity
journal, January 1987

Microhydration of Contact Ion Pairs in M ²⁺ OH ^– (H ₂ O) _{n =1–5} (M = Mg, Ca) Clusters: Spectral Manifestations of a Mobile Proton Defect in the First Hydration Shell
journal, June 2014

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H ⁺ (H ₂ O) _{n =2–28} Clusters
journal, July 2015

Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine
journal, March 2003

Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters
journal, July 2017

Electronic Spectroscopy of Cold, Protonated Tryptophan and Tyrosine
journal, March 2006

Fingerprints of inter- and intramolecular hydrogen bonding in saligenin–water clusters revealed by mid- and far-infrared spectroscopy
journal, January 2017

Defective Craniofacial Development and Brain Function in a Mouse Model for Depletion of Intracellular Inositol Synthesis
journal, February 2014

Neural and developmental actions of lithium: A unifying hypothesis
journal, November 1989

Attention-deficit/hyperactivity disorder (adhd) as a noradrenergic disorder
journal, November 1999

Conformational Study of Catecholamines in Solution
journal, October 1983

Conformationally resolved spectra of acetaminophen by UV-UV hole burning and IR dip spectroscopy in the gas phase
journal, January 2013

A conformational study of protonated noradrenaline by UV–UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method
journal, January 2017

Vibrational Characterization of Simple Peptides Using Cryogenic Infrared Photodissociation of H ₂ -Tagged, Mass-Selected Ions
journal, April 2011

The Role of Electrical Anharmonicity in the Association Band in the Water Spectrum
journal, April 2014

Neurotransmitters in the gas phase: hydrated noradrenaline
journal, January 2003

New Method for Double-Resonance Spectroscopy in a Cold Quadrupole Ion Trap and Its Application to UV–UV Hole-Burning Spectroscopy of Protonated Adenine Dimer
journal, July 2014

Infrared Spectroscopy of Hydrated Amino Acids in the Gas Phase: Protonated and Lithiated Valine
journal, January 2006

Cryogenic Ion Chemistry and Spectroscopy
journal, August 2013

Single-conformation infrared spectra of model peptides in the amide I and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling
journal, September 2012

Spectroscopy and conformational preferences of gas-phase helices
journal, January 2009

Molecular actions and clinical pharmacogenetics of lithium therapy
journal, August 2014

Probing the competition between secondary structures and local preferences in gas phase isolated peptide backbones
journal, January 2006

A New, Dispersion-Driven Intermolecular Arrangement for the Benzene–Water Octamer Complex: Isomers and Analysis of their Vibrational Spectra
journal, July 2016

Conformational reduction of DOPA in the gas phase studied by laser desorption supersonic jet laser spectroscopy
journal, January 2011

High-cooling-efficiency cryogenic quadrupole ion trap and UV-UV hole burning spectroscopy of protonated tyrosine
journal, February 2017

Hydration of neurotransmitters: a computational and spectroscopic study of a noradrenaline analogue, 2-amino-1-phenyl-ethanol
journal, July 2003

UV–UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique
journal, December 2014

Bottom-Up View of Water Network-Mediated CO ₂ Reduction Using Cryogenic Cluster Ion Spectroscopy and Direct Dynamics Simulations
journal, December 2011

A new tandem mass spectrometer for photofragment spectroscopy of cold, gas-phase molecular ions
journal, July 2010

The mechanism of lithium action: state of the art, ten years later
journal, May 2001

Lithium Salts in the Treatment of Psychotic Excitement
journal, September 1949