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41.
Triesterase and Promiscuous Diesterase Activities of a Di‐CoII‐Containing Organophosphate Degrading Enzyme Reaction Mechanisms
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Dr. Marta E. Alberto Gaspar Pinto Prof. Nino Russo Dr. Marirosa Toscano 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(9):3736-3745
The reaction mechanism for the hydrolysis of trimethyl phosphate and of the obtained phosphodiester by the di‐CoII derivative of organophosphate degrading enzyme from Agrobacterium radiobacter P230(OpdA), have been investigated at density functional level of theory in the framework of the cluster model approach. Both mechanisms proceed by a multistep sequence and each catalytic cycle begins with the nucleophilic attack by a metal‐bound hydroxide on the phosphorus atom of the substrate, leading to the cleavage of the phosphate‐ester bond. Four exchange‐correlation functionals were used to derive the potential energy profiles in protein environments. Although the enzyme is confirmed to work better as triesterase, as revealed by the barrier heights in the rate‐limiting steps of the catalytic processes, its promiscuous ability to hydrolyze also the product of the reaction has been confirmed. The important role played by water molecules and some residues in the outer coordination sphere has been elucidated, while the binuclear CoII center accomplishes both structural and catalytic functions. To correctly describe the electronic configuration of the d shell of the metal ions, high‐ and low‐spin arrangement jointly with the occurrence of antiferromagnetic coupling, have been herein considered. 相似文献
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K.V. Stepurska О.О. Soldatkin I.S. Kucherenko V.M. Arkhypova S.V. Dzyadevych A.P. Soldatkin 《Analytica chimica acta》2015
This study was aimed at the development of a conductometric biosensor based on acetylcholinesterase considering the feasibility of its application for the inhibitory analysis of various toxicants. In this paper, the optimum conditions for enzyme immobilization on the transducer surface are selected as well as the optimum concentration of substrate for inhibitory analysis. Sensitivity of the developed biosensor to different classes of toxic compounds (organophosphorus pesticides, heavy metal ions, surfactants, aflatoxin, glycoalkaloids) was tested. It is shown that the developed biosensor can be successfully used for the analysis of pesticides and mycotoxins, as well as for determination of total toxicity of the samples. A new method of biosensor analysis of toxic substances of different classes in complex multicomponent aqueous samples is proposed. 相似文献
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Su X. F. Zhang Y. L. Maximov A. L. Zhang K. Xin Q. Feng C. Q. Bai X. F. Wu W. 《Russian Journal of Applied Chemistry》2020,93(1):127-136
Russian Journal of Applied Chemistry - Nanoscale ZSM-5 (AlZ5-D) and Ga-substituted ZSM-5 zeolites ((Al,Ga)Z5-D and GaZ5-D) were synthesized by a green dry-gel conversion strategy. For comparison,... 相似文献
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V. A. Bespalov V. M. Glazov E. A. Il’ichev Yu. A. Klimov S. V. Kuklev A. E. Kuleshov R. M. Nabiev G. N. Petrukhin B. G. Potapov G. S. Rychkov D. S. Sokolov V. V. Fandeev E. A. Fetisov S. S. Yakushov 《Technical Physics》2015,60(4):553-560
The results of investigation of optical image detectors designed for the largest problem, near-VUV, range of the spectrum are presented. The possibility of using a dual-stage image detection system to appreciably lower the sensitivity threshold and make computer data processing feasible is considered. The integration of a UV module into a wideband image detector is studied. 相似文献
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