35 research outputs found

    XINA: A Workflow for the Integration of Multiplexed Proteomics Kinetics Data with Network Analysis

    No full text
    Quantitative proteomics experiments, using for instance isobaric tandem mass tagging approaches, are conducive to measuring changes in protein abundance over multiple time points in response to one or more conditions or stimulations. The aim is often to determine which proteins exhibit similar patterns within and across experimental conditions, since proteins with coabundance patterns may have common molecular functions related to a given stimulation. In order to facilitate the identification and analyses of coabundance patterns within and across conditions, we previously developed a software inspired by the isobaric mass tagging method itself. Specifically, multiple data sets are tagged in silico and combined for subsequent subgrouping into multiple clusters within a single output depicting the variation across all conditions, converting a typical inter-data-set comparison into an intra-data-set comparison. An updated version of our software, XINA, not only extracts coabundance profiles within and across experiments but also incorporates protein–protein interaction databases and integrative resources such as KEGG to infer interactors and molecular functions, respectively, and produces intuitive graphical outputs. In this report, we compare the kinetics profiles of >5600 unique proteins derived from three macrophage cell culture experiments and demonstrate through intuitive visualizations that XINA identifies key regulators of macrophage activation via their coabundance patterns

    XINA: A Workflow for the Integration of Multiplexed Proteomics Kinetics Data with Network Analysis

    No full text
    Quantitative proteomics experiments, using for instance isobaric tandem mass tagging approaches, are conducive to measuring changes in protein abundance over multiple time points in response to one or more conditions or stimulations. The aim is often to determine which proteins exhibit similar patterns within and across experimental conditions, since proteins with coabundance patterns may have common molecular functions related to a given stimulation. In order to facilitate the identification and analyses of coabundance patterns within and across conditions, we previously developed a software inspired by the isobaric mass tagging method itself. Specifically, multiple data sets are tagged in silico and combined for subsequent subgrouping into multiple clusters within a single output depicting the variation across all conditions, converting a typical inter-data-set comparison into an intra-data-set comparison. An updated version of our software, XINA, not only extracts coabundance profiles within and across experiments but also incorporates protein–protein interaction databases and integrative resources such as KEGG to infer interactors and molecular functions, respectively, and produces intuitive graphical outputs. In this report, we compare the kinetics profiles of >5600 unique proteins derived from three macrophage cell culture experiments and demonstrate through intuitive visualizations that XINA identifies key regulators of macrophage activation via their coabundance patterns

    Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction

    No full text
    We describe the preparation and catalytic reactions of new CCN pincer Rh and Ru complexes containing NCH-oxazoline hybrid ligands. Oxazolinyl-phenyl-imidazolium derivatives (3) were suitable ligand precursors for the CCN pincer scaffold. C–H bond activation of 3 with RhCl3·3H2O in the presence of NEt3 yielded the desired CCN pincer Rh complexes 5 in 13–27% yields. The related CCN pincer Ru complexes 8–10 were synthesized in good yields by C–H bond activation of p-cymene Ru complexes 7 in the presence of NaOAc in DMF. The chiral complexes 8 and 9 had two diastereomers according to the coordination of CO and OAc ligands. The CCN Rh complexes showed catalytic activity for conjugate reduction of ethyl β-methylcinnamate with hydrosilane, with moderate enantioselectivity. The CCN Ru complexes were found to be active in the hydrogenation of aromatic ketones. In particular, hydrogenation of 9-acetylanthracene took place at not only the CO bond but also the anthracene ring. The Ru complexes were also used as catalysts in the transfer hydrogenation of 9-acetylanthracene with 2-propanol; again, both the CO bond and the anthracene ring were hydrogenated

    Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction

    No full text
    We describe the preparation and catalytic reactions of new CCN pincer Rh and Ru complexes containing NCH-oxazoline hybrid ligands. Oxazolinyl-phenyl-imidazolium derivatives (<b>3</b>) were suitable ligand precursors for the CCN pincer scaffold. C–H bond activation of <b>3</b> with RhCl<sub>3</sub>·3H<sub>2</sub>O in the presence of NEt<sub>3</sub> yielded the desired CCN pincer Rh complexes <b>5</b> in 13–27% yields. The related CCN pincer Ru complexes <b>8</b>–<b>10</b> were synthesized in good yields by C–H bond activation of <i>p</i>-cymene Ru complexes <b>7</b> in the presence of NaOAc in DMF. The chiral complexes <b>8</b> and <b>9</b> had two diastereomers according to the coordination of CO and OAc ligands. The CCN Rh complexes showed catalytic activity for conjugate reduction of ethyl β-methylcinnamate with hydrosilane, with moderate enantioselectivity. The CCN Ru complexes were found to be active in the hydrogenation of aromatic ketones. In particular, hydrogenation of 9-acetylanthracene took place at not only the CO bond but also the anthracene ring. The Ru complexes were also used as catalysts in the transfer hydrogenation of 9-acetylanthracene with 2-propanol; again, both the CO bond and the anthracene ring were hydrogenated
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