Synthesis and characterization of Ni(III)N3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase

Chien Wei Chiang, Yun Li Chu, Hong Ling Chen, Ting Shen Kuo, Way Zen Lee

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Nickel complexes, [Ni(H2BA(R)TPP)](ClO4)2 (R = Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BA(R)TPP were synthesized and oxidized to form Ni(III) species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The Ni(III) species 2(+) exhibited a rhombic signal with g values at 2.15, 2.12 and 2.02 similar to that of NiSODox. DFT calculations revealed that 2(+) has an unpaired electron primarily located in the dz2 orbital of the Ni(III) center, which strongly overlaps with the pz orbital of the axial pyridine nitrogen of H2BA(Pr)TPP.

Original languageEnglish
Pages (from-to)6283-6286
Number of pages4
JournalChemistry - A European Journal
Volume20
Issue number21
DOIs
Publication statusPublished - 2014 May 19

Fingerprint

Nickel
Superoxide Dismutase
Catalytic Domain
Discrete Fourier transforms
Nitrogen
Electrons
Ligands
perchlorate
pyridine

Keywords

  • biomimetics
  • catalysis
  • density functional calculations
  • nickel(III) complexes
  • superoxide

ASJC Scopus subject areas

  • Medicine(all)

Cite this

Synthesis and characterization of Ni(III)N3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase. / Chiang, Chien Wei; Chu, Yun Li; Chen, Hong Ling; Kuo, Ting Shen; Lee, Way Zen.

In: Chemistry - A European Journal, Vol. 20, No. 21, 19.05.2014, p. 6283-6286.

Research output: Contribution to journalArticle

@article{4e83d4444cb84ab18f88984be9b8145a,
title = "Synthesis and characterization of Ni(III)N3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase",
abstract = "Nickel complexes, [Ni(H2BA(R)TPP)](ClO4)2 (R = Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BA(R)TPP were synthesized and oxidized to form Ni(III) species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The Ni(III) species 2(+) exhibited a rhombic signal with g values at 2.15, 2.12 and 2.02 similar to that of NiSODox. DFT calculations revealed that 2(+) has an unpaired electron primarily located in the dz2 orbital of the Ni(III) center, which strongly overlaps with the pz orbital of the axial pyridine nitrogen of H2BA(Pr)TPP.",
keywords = "biomimetics, catalysis, density functional calculations, nickel(III) complexes, superoxide",
author = "Chiang, {Chien Wei} and Chu, {Yun Li} and Chen, {Hong Ling} and Kuo, {Ting Shen} and Lee, {Way Zen}",
year = "2014",
month = "5",
day = "19",
doi = "10.1002/chem.201304543",
language = "English",
volume = "20",
pages = "6283--6286",
journal = "Chemistry - A European Journal",
issn = "0947-6539",
publisher = "Wiley-VCH Verlag",
number = "21",

}

TY - JOUR

T1 - Synthesis and characterization of Ni(III)N3S2 complexes as active site models for the oxidized form of nickel superoxide dismutase

AU - Chiang, Chien Wei

AU - Chu, Yun Li

AU - Chen, Hong Ling

AU - Kuo, Ting Shen

AU - Lee, Way Zen

PY - 2014/5/19

Y1 - 2014/5/19

N2 - Nickel complexes, [Ni(H2BA(R)TPP)](ClO4)2 (R = Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BA(R)TPP were synthesized and oxidized to form Ni(III) species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The Ni(III) species 2(+) exhibited a rhombic signal with g values at 2.15, 2.12 and 2.02 similar to that of NiSODox. DFT calculations revealed that 2(+) has an unpaired electron primarily located in the dz2 orbital of the Ni(III) center, which strongly overlaps with the pz orbital of the axial pyridine nitrogen of H2BA(Pr)TPP.

AB - Nickel complexes, [Ni(H2BA(R)TPP)](ClO4)2 (R = Ph for 1 or iPr for 2), supported by a pentadentate ligand H2BA(R)TPP were synthesized and oxidized to form Ni(III) species having a N3S2 coordination environment to mimic the active site of the oxidized form of nickel superoxide dismutase (NiSODox). The Ni(III) species 2(+) exhibited a rhombic signal with g values at 2.15, 2.12 and 2.02 similar to that of NiSODox. DFT calculations revealed that 2(+) has an unpaired electron primarily located in the dz2 orbital of the Ni(III) center, which strongly overlaps with the pz orbital of the axial pyridine nitrogen of H2BA(Pr)TPP.

KW - biomimetics

KW - catalysis

KW - density functional calculations

KW - nickel(III) complexes

KW - superoxide

UR - http://www.scopus.com/inward/record.url?scp=84940109293&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84940109293&partnerID=8YFLogxK

U2 - 10.1002/chem.201304543

DO - 10.1002/chem.201304543

M3 - Article

VL - 20

SP - 6283

EP - 6286

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 21

ER -