Formation of a unique 1

2 Calcium-calixquinone complex in aqueous media

Sun Kil Kang, One-Sun Lee, Suk Kyu Chang, Doo Soo Chung, Hasuck Kim, Taek Dong Chung

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

We report the complexation behavior of calix[4]arenemonoquinone-triacid (CTAQ), which is an electroactive and water-soluble receptor for calcium ion. UV-visible and NMR spectroscopic studies revealed that CTAQ in aqueous media forms 1:2 as well as 1:1 (metal ion:CTAQ) stoichiometric complexes with Ca 2+, Sr2+, and Ba2+ ions. The nonlinear fitting of titration curves based on UV-visible absorption spectra showed that the binding constants of CTAQ for Ca2+ ion are 4 (± 2) × 106 M-1 for 1:1 and 1.4 (± 0.5) × 10 11 M-2 for 1:2 complex. NMR conformational studies and the titration curves corroborate that the Ca2+:CTAQ complex in aqueous solution is not present in the form of merely 1:1 one, being consistent with UV-visible spectrophotometric results. The Monte Carlo simulation supports the presence of a stable conformer of 1:2 complexes in which a Ca2+ ion is interposed between two CTAQs at the global minimum. This is the first model of 1:2 stoichiometric complex of calix[4]arene and alkaline earth ions in aqueous media.

Original languageEnglish
Pages (from-to)793-799
Number of pages7
JournalBulletin of the Korean Chemical Society
Volume32
Issue number3
DOIs
Publication statusPublished - 20 Mar 2011
Externally publishedYes

Fingerprint

Ions
Calcium
Titration
Nuclear magnetic resonance
Calcium-Sensing Receptors
Complexation
Metal ions
Absorption spectra
Earth (planet)
Water

Keywords

  • Binding constant
  • Calcium ion
  • Calix[4]arenemonoquinone-triacid
  • Monte Carlo simulation
  • NMR titration

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Formation of a unique 1 : 2 Calcium-calixquinone complex in aqueous media. / Kang, Sun Kil; Lee, One-Sun; Chang, Suk Kyu; Chung, Doo Soo; Kim, Hasuck; Chung, Taek Dong.

In: Bulletin of the Korean Chemical Society, Vol. 32, No. 3, 20.03.2011, p. 793-799.

Research output: Contribution to journalArticle

Kang, Sun Kil ; Lee, One-Sun ; Chang, Suk Kyu ; Chung, Doo Soo ; Kim, Hasuck ; Chung, Taek Dong. / Formation of a unique 1 : 2 Calcium-calixquinone complex in aqueous media. In: Bulletin of the Korean Chemical Society. 2011 ; Vol. 32, No. 3. pp. 793-799.
@article{bfd67615cfcf430fa65782fa24639ea7,
title = "Formation of a unique 1: 2 Calcium-calixquinone complex in aqueous media",
abstract = "We report the complexation behavior of calix[4]arenemonoquinone-triacid (CTAQ), which is an electroactive and water-soluble receptor for calcium ion. UV-visible and NMR spectroscopic studies revealed that CTAQ in aqueous media forms 1:2 as well as 1:1 (metal ion:CTAQ) stoichiometric complexes with Ca 2+, Sr2+, and Ba2+ ions. The nonlinear fitting of titration curves based on UV-visible absorption spectra showed that the binding constants of CTAQ for Ca2+ ion are 4 (± 2) × 106 M-1 for 1:1 and 1.4 (± 0.5) × 10 11 M-2 for 1:2 complex. NMR conformational studies and the titration curves corroborate that the Ca2+:CTAQ complex in aqueous solution is not present in the form of merely 1:1 one, being consistent with UV-visible spectrophotometric results. The Monte Carlo simulation supports the presence of a stable conformer of 1:2 complexes in which a Ca2+ ion is interposed between two CTAQs at the global minimum. This is the first model of 1:2 stoichiometric complex of calix[4]arene and alkaline earth ions in aqueous media.",
keywords = "Binding constant, Calcium ion, Calix[4]arenemonoquinone-triacid, Monte Carlo simulation, NMR titration",
author = "Kang, {Sun Kil} and One-Sun Lee and Chang, {Suk Kyu} and Chung, {Doo Soo} and Hasuck Kim and Chung, {Taek Dong}",
year = "2011",
month = "3",
day = "20",
doi = "10.5012/bkcs.2011.32.3.793",
language = "English",
volume = "32",
pages = "793--799",
journal = "Bulletin of the Korean Chemical Society",
issn = "0253-2964",
publisher = "Korean Chemical Society",
number = "3",

}

TY - JOUR

T1 - Formation of a unique 1

T2 - 2 Calcium-calixquinone complex in aqueous media

AU - Kang, Sun Kil

AU - Lee, One-Sun

AU - Chang, Suk Kyu

AU - Chung, Doo Soo

AU - Kim, Hasuck

AU - Chung, Taek Dong

PY - 2011/3/20

Y1 - 2011/3/20

N2 - We report the complexation behavior of calix[4]arenemonoquinone-triacid (CTAQ), which is an electroactive and water-soluble receptor for calcium ion. UV-visible and NMR spectroscopic studies revealed that CTAQ in aqueous media forms 1:2 as well as 1:1 (metal ion:CTAQ) stoichiometric complexes with Ca 2+, Sr2+, and Ba2+ ions. The nonlinear fitting of titration curves based on UV-visible absorption spectra showed that the binding constants of CTAQ for Ca2+ ion are 4 (± 2) × 106 M-1 for 1:1 and 1.4 (± 0.5) × 10 11 M-2 for 1:2 complex. NMR conformational studies and the titration curves corroborate that the Ca2+:CTAQ complex in aqueous solution is not present in the form of merely 1:1 one, being consistent with UV-visible spectrophotometric results. The Monte Carlo simulation supports the presence of a stable conformer of 1:2 complexes in which a Ca2+ ion is interposed between two CTAQs at the global minimum. This is the first model of 1:2 stoichiometric complex of calix[4]arene and alkaline earth ions in aqueous media.

AB - We report the complexation behavior of calix[4]arenemonoquinone-triacid (CTAQ), which is an electroactive and water-soluble receptor for calcium ion. UV-visible and NMR spectroscopic studies revealed that CTAQ in aqueous media forms 1:2 as well as 1:1 (metal ion:CTAQ) stoichiometric complexes with Ca 2+, Sr2+, and Ba2+ ions. The nonlinear fitting of titration curves based on UV-visible absorption spectra showed that the binding constants of CTAQ for Ca2+ ion are 4 (± 2) × 106 M-1 for 1:1 and 1.4 (± 0.5) × 10 11 M-2 for 1:2 complex. NMR conformational studies and the titration curves corroborate that the Ca2+:CTAQ complex in aqueous solution is not present in the form of merely 1:1 one, being consistent with UV-visible spectrophotometric results. The Monte Carlo simulation supports the presence of a stable conformer of 1:2 complexes in which a Ca2+ ion is interposed between two CTAQs at the global minimum. This is the first model of 1:2 stoichiometric complex of calix[4]arene and alkaline earth ions in aqueous media.

KW - Binding constant

KW - Calcium ion

KW - Calix[4]arenemonoquinone-triacid

KW - Monte Carlo simulation

KW - NMR titration

UR - http://www.scopus.com/inward/record.url?scp=79953248191&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79953248191&partnerID=8YFLogxK

U2 - 10.5012/bkcs.2011.32.3.793

DO - 10.5012/bkcs.2011.32.3.793

M3 - Article

VL - 32

SP - 793

EP - 799

JO - Bulletin of the Korean Chemical Society

JF - Bulletin of the Korean Chemical Society

SN - 0253-2964

IS - 3

ER -