Simulation of the bis-(penicillamine) enkephalin in ammonium chloride solution

A comparison with sodium chloride

Gail E. Marlow, Bernard Pettitt

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

In order to quantify specific ion effects, a simulation study of bis(penicllamine) enkephalin, also known as DPDPE, has been performed in aqueous ammonium chloride solution and has been compared to a previous simulation of DPDPE in aqueous sodium chloride solution. Global thermodynamics have been calculated for a model system and the solution environment around DPDPE has been characterized. Associations of ions with DPDPE have been investigated. The observed differences between sodium chloride solution and ammonium chloride solution suggest that individual cations affect the solvation and peptide binding properties of a given anion.

Original languageEnglish (US)
Pages (from-to)192-209
Number of pages18
JournalBiopolymers
Volume68
Issue number2
DOIs
StatePublished - Feb 2003
Externally publishedYes

Fingerprint

D-Penicillamine (2,5)-Enkephalin
Ammonium Chloride
Sodium chloride
Sodium Chloride
Ions
Enkephalins
Solvation
Thermodynamics
Peptides
Anions
Cations
Negative ions
Positive ions

Keywords

  • Bis-(penicillamine) enkephalin
  • Cations
  • Computer simulations
  • Peptides in solution
  • Solvation
  • Thermodynamics of peptide solutions

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Biochemistry
  • Biophysics

Cite this

Simulation of the bis-(penicillamine) enkephalin in ammonium chloride solution : A comparison with sodium chloride. / Marlow, Gail E.; Pettitt, Bernard.

In: Biopolymers, Vol. 68, No. 2, 02.2003, p. 192-209.

Research output: Contribution to journalArticle

@article{f9e77e89c7454e128e09cec22cefd1d0,
title = "Simulation of the bis-(penicillamine) enkephalin in ammonium chloride solution: A comparison with sodium chloride",
abstract = "In order to quantify specific ion effects, a simulation study of bis(penicllamine) enkephalin, also known as DPDPE, has been performed in aqueous ammonium chloride solution and has been compared to a previous simulation of DPDPE in aqueous sodium chloride solution. Global thermodynamics have been calculated for a model system and the solution environment around DPDPE has been characterized. Associations of ions with DPDPE have been investigated. The observed differences between sodium chloride solution and ammonium chloride solution suggest that individual cations affect the solvation and peptide binding properties of a given anion.",
keywords = "Bis-(penicillamine) enkephalin, Cations, Computer simulations, Peptides in solution, Solvation, Thermodynamics of peptide solutions",
author = "Marlow, {Gail E.} and Bernard Pettitt",
year = "2003",
month = "2",
doi = "10.1002/bip.10292",
language = "English (US)",
volume = "68",
pages = "192--209",
journal = "Biopolymers",
issn = "0006-3525",
publisher = "John Wiley and Sons Inc.",
number = "2",

}

TY - JOUR

T1 - Simulation of the bis-(penicillamine) enkephalin in ammonium chloride solution

T2 - A comparison with sodium chloride

AU - Marlow, Gail E.

AU - Pettitt, Bernard

PY - 2003/2

Y1 - 2003/2

N2 - In order to quantify specific ion effects, a simulation study of bis(penicllamine) enkephalin, also known as DPDPE, has been performed in aqueous ammonium chloride solution and has been compared to a previous simulation of DPDPE in aqueous sodium chloride solution. Global thermodynamics have been calculated for a model system and the solution environment around DPDPE has been characterized. Associations of ions with DPDPE have been investigated. The observed differences between sodium chloride solution and ammonium chloride solution suggest that individual cations affect the solvation and peptide binding properties of a given anion.

AB - In order to quantify specific ion effects, a simulation study of bis(penicllamine) enkephalin, also known as DPDPE, has been performed in aqueous ammonium chloride solution and has been compared to a previous simulation of DPDPE in aqueous sodium chloride solution. Global thermodynamics have been calculated for a model system and the solution environment around DPDPE has been characterized. Associations of ions with DPDPE have been investigated. The observed differences between sodium chloride solution and ammonium chloride solution suggest that individual cations affect the solvation and peptide binding properties of a given anion.

KW - Bis-(penicillamine) enkephalin

KW - Cations

KW - Computer simulations

KW - Peptides in solution

KW - Solvation

KW - Thermodynamics of peptide solutions

UR - http://www.scopus.com/inward/record.url?scp=0037323197&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037323197&partnerID=8YFLogxK

U2 - 10.1002/bip.10292

DO - 10.1002/bip.10292

M3 - Article

VL - 68

SP - 192

EP - 209

JO - Biopolymers

JF - Biopolymers

SN - 0006-3525

IS - 2

ER -