Search: L773:1434 1948 OR L773:1099 1948 OR L773:0162 0134 >
An Unsymmetric Liga...
An Unsymmetric Ligand with a N5O2 Donor Set and Its Corresponding Dizinc Complex : A Structural and Functional Phosphoesterase Model
-
- Das, Biswanath (author)
- Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
-
- Daver, Henrik (author)
- Stockholm University,Stockholms universitet,Institutionen för organisk kemi
-
- Pyrkosz-Bulska, Monika (author)
- University of Silesia,Wroclaw University
-
show more...
-
- Gumienna-Kontecka, Elzbieta (author)
- Wroclaw University
-
- Himo, Fahmi (author)
- Stockholm University,Stockholms universitet,Institutionen för organisk kemi
-
- Nordlander, Ebbe (author)
- Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
-
show less...
-
(creator_code:org_t)
- 2018-05-30
- 2018
- English.
-
In: European Journal of Inorganic Chemistry. - : Wiley. - 1434-1948 .- 1099-1948 .- 1099-0682. ; :36, s. 4004-4013
- Related links:
-
http://dx.doi.org/10...
-
show more...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
https://lup.lub.lu.s...
-
show less...
Abstract
Subject headings
Close
- To mimic the active sites of the hydrolytic enzyme zinc phosphotriesterase, a new dinucleating unsymmetric ligand, PICIMP (2-{[2-hydroxy-5-methyl-3-({[(1-methyl-1H-imidazol-2-yl)methyl](pyridin-2-ylmethyl)amino}methyl)benzyl][(1-methyl-1H-imidazol-2-yl)methyl]amino}acetic acid), has been synthesized and characterized. The hydrolytic efficacy of the complex solution (PICIMP/ZnCl2 = 1:2) has been investigated using bis-(2,4-dinitrophenyl)phosphate (BDNPP), a DNA analogue substrate. Speciation studies were undertaken by potentiometric titrations at varying pH for both the ligand and the corresponding dizinc complex to elucidate the formation of the active hydrolysis catalyst; these studies reveal that the dinuclear zinc(II) complexes, [Zn-2(PICIMP)](2+) and [Zn-2(PICIMP)(OH)](+) predominate in solution above pH 4. The obtained pK(a) of 7.44 for the deprotonation of water suggests formation of a bridging hydroxide between the two Zn-II ions. Kinetic investigations of BDNPP hydrolysis over the pH range 5.5-10.5 have been performed. The cumulative results indicate the hydroxo-bridged dinuclear Zn-II complex [Zn-2(PICIMP)(mu-OH)](+) as the effective catalyst. Density functional theory calculations were performed to investigate the detailed reaction mechanism. The calculations suggest that the bridging hydroxide becomes terminally coordinated to one of the zinc ions before performing the nucleophilic attack in the reaction.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Keyword
- Metalloenzymes
- Phosphoester hydrolysis
- Active sites
- Coordination chemistry
- Active sites
- Coordination chemistry
- Metalloenzymes
- Phosphoester hydrolysis
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database