Datong Song

High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compounds

Diwen Yang, Xiaoyun Wang, Jiabao Liu, Yufeng Gong et autres

Chemical pollution is a global threat to human health, yet the toxicity mechanism of most contaminants remains unknown. Here, we applied an ultrahigh-throughput affinity-selection mass spectrometry (AS-MS) platform to systematically identify protein targets of prioritized chemical contaminants. After benchmarking the platform, we …

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Synthesis and Reactivity of Low-Coordinate Iron(II) Alkyl Complexes toward Alkene Hydrogenation

Pedro A. Mendez Ocampo, Yixue Xiong, Datong Song

We report the coordination chemistry of two picolyl-NHC ligands H L1 and H L2, featuring bulky aryl groups adjacent to the donor atoms. High-spin iron(II) complexes [Fe(H L1 )Br 2 ] ( 1 ) and [Fe(H L2 )Br 2 ] ( 2 …

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Flash Communication: Reactivity of Diphenyldiazomethane with Two Isomeric Piano-stool Iron Complexes

Pedro A. Mendez Ocampo, Qiuming Liang, Datong Song

While diazo compounds are commonly used as carbene precursors, certain metal complexes can trigger cyclization reactions in which the N 2 motif is retained. Herein we report the reaction of diphenyldiazomethane (ddam) toward two isomeric iron complexes featuring possible proximal and distal …

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Iron Complexes of N , C -Chelate Ligands toward Catalytic Hydrosilylation of Ketones

Jose L. Jimenez Santiago, Qiuming Liang, Pedro A. Mendez Ocampo, Mochi Li et autres

A family of high-spin iron(II) complexes of N, C -chelate ligands has been prepared and tested toward catalytic ketone reduction using polymethylhydrosiloxane (PMHS). Through this systematic fine-tuning effort, a few highly active catalysts have been identified. The top performer features a 144,000 …

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Regioselective In Vitro Toxicity of Aromatic Hydroxylated Metabolites of 6PPD-Quinone

Pranav Nair, Hannah Byun, Maria J. Gendron Romero, Lin-Na Xie et autres

6PPD-Q undergoes rapid enzymatic reactions within salmonids to form two major hydroxylated metabolites, one alkyl and one aryl. While alkyl-OH-6PPD-Q has been confirmed to be nontoxic, the toxicity of aryl-OH-6PPD-Q remains unknown. We herein synthesized three aryl-OH-6PPD-Q isomers and tested their in …

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Pioneers and Influencers in Organometallic Chemistry: Bob Morris, a Career of Curiosity with Metal Hydrides and Dihydrogen

Datong Song, Demyan E. Prokopchuk

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Dinitrogen Binding and Silylation by Bis(ketimino)carbazolide Complexes of Iron and Cobalt

Jack H. Lin, Alexis K. Bauer, Samuel T. Hugie, Michael L. Neidig et autres

We report the coordination chemistry of a bulky 1,8-bis(ketimino)carbazole (HL) ligand and the reactivity of the corresponding iron(II) and cobalt(II) chloride complexes [LFeCl] ( 1) and [LCoCl] ( 2 ). Upon one-electron reduction of 1 and 2 under a dinitrogen atmosphere, N …

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Reactivity of Mn(I) Picolyl-NHC Complexes Toward H2 and CO2 Activation and the Catalytic Dehydrogenation of Formic Acid

Pedro A. Mendez Ocampo, Qiuming Liang, Datong Song

We report the synthesis and reactivity of [MnBr(HL)(CO) 3 ], 1 (where HL = 3,4,5-trimethyl-1-(2-picolyl)-imidazol-2-ylidene). The reaction of 1 with a base leads to the deprotonation of the methylene group of the ligand backbone and the formation of two isomeric dimers [MnL(CO) …

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Structure and Toxicity Characterization of Alkyl Hydroxylated Metabolites of 6PPD-Q

Pranav Nair, Holly Barrett, Kaylin Tanoto, Lin-Na Xie et autres

Distinct from other nontoxic phenyl- p -phenylenediamine (PPD) quinones, N -(1,3-dimethylbutyl)- N ′-phenyl- p -phenylenediamine-quinone (6PPD-Q) was recently discovered to be regioselectively metabolized to alkyl hydroxylated metabolites (alkyl–OH-6PPD-Q) in rainbow trout. It remains unknown whether the unique alkyl–OH-6PPD-Q contributes to the toxicity …

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Synthesis and Toxicity Evaluation of p -Phenylenediamine-Quinones

Pranav Nair, Jianxian Sun, Lin-Na Xie, Lisa M. Kennedy et autres

N -(1,3-Dimethylbutyl)- N′ -phenyl- p -phenylenediamine-quinone (6PPD-Q), the tire rubber-derived transformation product of 6PPD, was recently discovered to cause the acute mortality of coho salmon ( Oncorhynchus kisutch ). Aiming to identify potential replacement antiozonants for 6PPD that do not produce toxic …

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Bifunctional Ruthenium Catalysts for endo-Selective Cycloisomerization of Nucleophile-Functionalized Terminal Alkynes

Hector A. Garcia Mayerstein, Datong Song

The catalytic cycloisomerization of nucleophile-functionalized alkynes is a useful method for the synthesis of heterocyclic compounds with 100% atom economy. Group 8 catalysts give high endo -selectivity in these transformations due to their ability to invoke metal-vinylidene intermediates. However, all known group …

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Structure and Toxicity Characterization of Alkyl Hydroxylated Metabolites of 6PPD-Q

Pranav Nair, Holly Barrett, Kaylin Tanoto, Lin-Na Xie et autres

Distinct from other nontoxic PPD quinones, 6PPD-Q was recently discovered to be regioselectively metabolized to alkyl hydroxylated metabolites (alkyl-OH-6PPD-Q) in rainbow trout. It remains unknown whether the unique alkyl-OH-6PPD-Q might contribute to the toxicity of 6PPD-Q. To test this, we herein synthesized …

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