Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes

Jastrzebski Robin; Quesne Matthew G.; Weckhuysen Bert M.; de Visser Sam P.; Bruijnincx Pieter C. A.

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Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes

机译：非血红素铁（III）配合物内二醇邻苯二酚双加氧反应机理的实验和计算证据

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Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and nonheme iron(III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron(III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron complex. The iron(III) superoxide complex that is formed subsequently attacks the carbon atom of the substrate by a rate-determining C-O bond formation step.

机译：儿茶酚内二醇双加氧是铁依赖性酶和非血红素铁（III）络合物催化的独特反应。这些系统在这个重要的代谢过程中激活双氧的机制仍存在争议。结合动力学测量和多种铁（III）儿茶酚酯配合物的计算模型的组合，我们阐明了儿茶酚的裂解机理，并表明氧通过底物从铁配合物的部分解离而结合了铁中心。随后形成的铁（III）超氧化物络合物通过决定速率的C-O键形成步骤攻击底物的碳原子。

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《Chemistry: A European journal》 |2014年第48期|共6页
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Jastrzebski Robin; Quesne Matthew G.; Weckhuysen Bert M.; de Visser Sam P.; Bruijnincx Pieter C. A.;
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正文语种 eng
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biomimetic models; density functional theory; enzyme models; kinetics; reactivity;

机译：仿生模型密度泛函理论酶模型动力学反应性;

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1. Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes [J] . Jastrzebski Robin, Quesne Matthew G., Weckhuysen Bert M., Chemistry: A European journal . 2014,第48期

机译：非血红素铁（III）配合物内二醇邻苯二酚双加氧反应机理的实验和计算证据
2. (Catecholato)iron(III) complexes with tetradentate tripodal ligands containing substituted phenol and pyridine units as structural and functional model complexes for the catechol-bound intermediate of intradiol-cleaving catechol dioxygenases [J] . Yamahara R., Watanabe Y., Funabiki T., Inorganica Chimica Acta . 2000,第0期

机译：（儿茶酚基）铁（III）配合物，其四齿三脚形配体含有取代的苯酚和吡啶单元，作为内二醇裂解邻苯二酚双加氧酶的邻苯二酚结合中间体的结构和功能模型配合物
3. Mimicking the Intradiol Catechol Cleavage Activity of Catechol Dioxygenase by High-Spin Iron(III) Complexes of a New Class of a Facially Bound [N2O] Ligand [J] . Panda MK, John A, Shaikh MM, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2008,第24期

机译：新型面结合[N2O]配体的高旋铁（III）配合物模拟邻苯二酚双加氧酶的二醇内邻苯二酚裂解活性
4. CATALYTIC DIOXYGENATION OF CATECHOL BY NON-HEME IRON(III) COMPLEXES AS A SUSTAINABLE ROUTE TO DIMETHYL ADIPATE [C] . Robin Jastrzebski, Emily J. van den Berg, Bert M. Weckhuysen AIChE Annual Meeting . 2014

机译：非血红素铁（III）复合物作为己二酸二甲基的可持续途径的非血红素铁（III）复合物的催化二氧化
5. Biomimetic models of intradiol catechol dioxygenases: Structures and properties of inclusion complexes of iron(III) centered metal complexes with beta-cyclodextrin derivatives. [D] . Park, Heaweon. 2008

机译：内二醇儿茶酚双加氧酶的仿生模型：铁（III）为中心的金属络合物与β-环糊精衍生物的包合物的结构和性质。
6. Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes [O] . Robin Jastrzebski, Matthew G Quesne, Bert M Weckhuysen, -1

机译：非血红素铁（III）配合物内二醇邻苯二酚双加氧反应机理的实验和计算证据
7. Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non‐Heme Iron (III) Complexes [O] . Jastrzebski, Robin, Quesne, Matthew G, Weckhuysen, Bert M., 2014

机译：非血红素铁（III）配合物对二甘醇邻苯二酚双氧合作用机理的实验和计算证据
8. DNA (Deoxyribonucleic Acids) Sequence of the Acinetobacter calcoaceticus Catechol 1,2-Dioxygenase I Structural Gene catA: Evidence for Evolutionary Divergence of Intradiol Dioxygenases by Acquisition of DNA Sequence Repetitions [R] . Neidle, E. L., Hartnett, C., Bonitz, S., 1988

机译：DNa（脱氧核糖核酸）醋酸钙不动杆菌儿茶酚1,2-双加氧酶I结构基因cata序列：通过获取DNa序列重复进化内二醇双加氧酶的进化分歧的证据

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes

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