Výsledky vyhledávání - "Dalia Rokhsana"

Metal–Halogen Secondary Bonding in a 2,5‐Dichlorohydroquinonate Cobalt(II) Complex: Insight into Substrate Coordination in the Chlorohydroquinone Dioxygenase PcpA

Autor: Douglas H. Juers, Patrick L. Holland, William W. Brennessel, Eugenijus Urnezius, Jeremy A. Schofield, Dalia Rokhsana, Monica D. Boshart, Timothy E. Machonkin

Publikováno v: European Journal of Inorganic Chemistry. 2015:4643-4647

Despite the unprecedented selectivity of the hydroquinone ring-cleaving dioxygenase PcpA for ortho-chlorohydroquinones, there are no examples of an ortho-chlorohydroquinone bound to a transition-metal complex. Herein, the synthesis and characterizati

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::389457d8463fb6ff111f9a4bd7ee7649
https://doi.org/10.1002/ejic.201500845

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Structural and Spectroscopic Characterization of Iron(II), Cobalt(II), and Nickel(II) ortho-Dihalophenolate Complexes: Insights into Metal–Halogen Secondary Bonding

Autor: Meghan M. Rodriguez, William W. Brennessel, Monica D. Boshart, Timothy E. Machonkin, Jeremy A. Schofield, Dalia Rokhsana, Patrick L. Holland, Katarzyna Grubel

Publikováno v: Inorganic Chemistry. 53:9837-9848

Metal complexes incorporating the tris(3,5-diphenylpyrazolyl)borate ligand (Tp(Ph2)) and ortho-dihalophenolates were synthesized and characterized in order to explore metal-halogen secondary bonding in biorelevant model complexes. The complexes Tp(Ph

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9536a93c7c19409c5909b3add0172e29
https://doi.org/10.1021/ic501424e

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Structure of the Reduced Copper Active Site in Preprocessed Galactose Oxidase: Ligand Tuning for One-Electron O

Autor: Ryan E, Cowley, Jordi, Cirera, Munzarin F, Qayyum, Dalia, Rokhsana, Britt, Hedman, Keith O, Hodgson, David M, Dooley, Edward I, Solomon

Publikováno v: Journal of the American Chemical Society. 138(40)

Galactose oxidase (GO) is a copper-dependent enzyme that accomplishes 2e− substrate oxidation by pairing a single copper with an unusual cysteinylated tyrosine (Cys-Tyr) redox cofactor. Previous studies have demonstrated that the post-translational

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::e9ac9a09d3a406bd1b1ce4d553dc6074
https://pubmed.ncbi.nlm.nih.gov/27626829

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Structure of the Reduced Copper Active Site in Pre-Processed Galactose Oxidase: Ligand Tuning for One-Electron O2 Activation in Cofactor Biogenesis

Autor: Britt Hedman, Dalia Rokhsana, Ryan E. Cowley, Edward I. Solomon, David M. Dooley, Munzarin F. Qayyum, Jordi Cirera, Keith O. Hodgson

Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Recercat. Dipósit de la Recerca de Catalunya
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Galactose oxidase (GO) is a copper-dependent enzyme that accomplishes 2e- substrate oxidation by pairing a single copper with an unusual cysteinylated tyrosine (Cys-Tyr) redox cofactor. Previous studies have demonstrated that the post-translational b

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07c7d2a953c244c167110836564bd384
http://hdl.handle.net/2445/127866

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Role of the Tyr-Cys Cross-link to the Active Site Properties of Galactose Oxidase

Autor: David M. Dooley, Robert K. Szilagyi, Alta E. Howells, Dalia Rokhsana

Publikováno v: Inorganic Chemistry. 51:3513-3524

The catalytically relevant, oxidized state of the active site [Cu(II)-Y·-C] of galactose oxidase (GO) is composed of antiferromagnetically coupled Cu(II) and a post-translationally generated Tyr-Cys radical cofactor [Y·-C]. The thioether bond of th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fc8cffbf0663692d683572e17cfff4a
https://doi.org/10.1021/ic2022769

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Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands

Autor: Md. Iqbal Hyder, Dennis W. Bennett, Ayesha Sharmin, Shariff E. Kabir, Mohammad R. Hassan, Noorjahan Begum, Tasneem A. Siddiquee, Daniel T. Haworth, Dalia Rokhsana, Edward Rosenberg

Publikováno v: Organometallics. 27:1550-1560

Reactions of [Ru3(CO)10(μ-dppm)] (1) and its ortho-metalated derivative [Ru3(CO)9{μ3-η3-P(C6H5)CH2P(C6H5)(C6H4)}] (11) with PhEEPh (E = Te, Se, S) have been investigated. Treatment of 1 with PhTeTePh at room temperature afforded the dinuclear comp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::587fb0e1929b95ca9ebbe3ba9a960f36
https://doi.org/10.1021/om701042s

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Systematic development of computational models for the catalytic site in galactose oxidase: impact of outer-sphere residues on the geometric and electronic structures

Autor: Robert K. Szilagyi, David M. Dooley, Dalia Rokhsana

Publikováno v: JBIC Journal of Biological Inorganic Chemistry. 13:371-383

A systematic in silico approach has been employed to generate sound, experimentally validated active-site models for galactose oxidase (GO) using a hybrid density functional, B(38HF)P86. GO displays three distinct oxidation states: oxidized [Cu(II)-Y

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3967977e6eaa42e6968e49bfc49c16ad
https://doi.org/10.1007/s00775-007-0325-8

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A realistic in silico model for structure/function studies of molybdenum-copper CO dehydrogenase

Autor: Marius Retegan, Morgan C. Dienst, Tao A. G. Large, Frank Neese, Dalia Rokhsana

Publikováno v: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry. 21(4)

CO dehydrogenase (CODH) is an environmentally crucial bacterial enzyme that oxidizes CO to CO2 at a Mo-Cu active site. Despite the close to atomic resolution structure (1.1 Å), significant uncertainties have remained with regard to the protonation s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::530d3a3ab964b0c9f8b36352beb76370
https://pubmed.ncbi.nlm.nih.gov/27229512

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Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution

Autor: Kenneth I. Hardcastle, and Shariff E. Kabir, Dalia Rokhsana and, Md. Abdul Mottalib, Noorjahan Begum, Edward Rosenberg, G. M. Golzar Hossain, Tahmina Akter, Md. Arzu Miah, S. M. Tareque Abedin

Publikováno v: Organometallics. 24:4747-4759

The 46-electron quinoline triosmium clusters (μ-H)Os3(CO)9(μ3-η2-C9H5(R)N) (6, R = 4-CH3; 7, R = H) react with excess CH2N2 at 0 to 25 °C to give (μ-H)2Os3(CO)9(μ3-η2-CHC9H5(R)N) (10, R = 4-CH3; 11...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6a350243d3de5f7ef25bf4f1ead7262b
https://doi.org/10.1021/om0503794

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Reactions of the unsaturated triosmium cluster [(μ-H)Os3(CO)8(Ph2PCH2P(Ph)C6H4)] with HX (X=Cl, Br, F, CF3CO2,CH3CO2): X-ray structures of [(μ-H)Os3(CO)7(η1-Cl)(μ-Cl)2(μ-dppm)],[(μ-H)2Os3(CO)8(Ph2PCH2P(Ph)C6H4)]+[CF3O]− and the two isomers of [(μ-H)Os3(CO)8(μ-Cl)(μ-dppm)]

Autor: G. M. Golzar Hossain, Kenneth I. Hardcastle, Md. Arzu Miah, Shariff E. Kabir, Dalia Rokhsana, Edward Rosenberg, Nitai C. Sarker

Publikováno v: Journal of Organometallic Chemistry. 690:3044-3053

Treatment of the electronically unsaturated cluster [(μ-H)Os3(CO)8(Ph2PCH2P(Ph)C6H4)] (1) with HCl gas at ambient temperature in dichloromethane afforded (μ-H)Os3(CO)8(μ-Cl)(μ-dppm) (2) and [(μ-H)Os3(CO)7(η1-Cl)(μ-Cl)2(μ-dppm)] (3). Thermolys

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https://doi.org/10.1016/j.jorganchem.2005.03.041

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