Organic Peroxides in Aerosol: Key Reactive Intermediates for Multiphase Processes in the Atmosphere.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.2c00430
Abstract: Organic peroxides (POs) are organic molecules with one or more peroxide (-O-O-) functional groups. POs are commonly regarded as chemically labile termination products from gas-phase radical chemistry and therefore serve as temporary reservoirs for oxidative… read more here.
Keywords: organic peroxides; reactive intermediates; key reactive; multiphase processes ... See more keywords
Characterization of reactive intermediates formation in dacomitinib metabolism and bioactivation pathways elucidation by LC-MS/MS: in vitro phase I metabolic investigation
Sign Up to like & getrecommendations! Published in 2018 at "RSC Advances"
DOI: 10.1039/c8ra06709k
Abstract: Dacomitinib (DCB) is a second generation irreversible tyrosine kinase inhibitor (TKI) that is claimed to overcome the disadvantages of the resistance developed by the first line epidermal growth factor receptor (EGFR) TKIs. In the current… read more here.
Keywords: vitro phase; characterization reactive; bioactivation; reactive intermediates ... See more keywords
Controlled Reactive Intermediates Enabling Facile Molecular Conjugation
Sign Up to like & getrecommendations! Published in 2018 at "Bulletin of the Chemical Society of Japan"
DOI: 10.1246/bcsj.20180104
Abstract: Reliable methods to conjugate molecules using highly reactive substrates including strained cycloalkynes, azides, and thiophene S,S-dioxides, or short-lived intermediates such as arynes and 6- and ... read more here.
Keywords: intermediates enabling; facile molecular; reactive intermediates; controlled reactive ... See more keywords
Characterization of Stable and Reactive Metabolites of the Anticancer Drug, Ensartinib, in Human Liver Microsomes Using LC-MS/MS: An in silico and Practical Bioactivation Approach
Sign Up to like & getrecommendations! Published in 2020 at "Drug Design, Development and Therapy"
DOI: 10.2147/dddt.s274018
Abstract: Background Ensartinib (ESB) is a novel anaplastic lymphoma kinase inhibitor (ALK) with additional activity against Abelson murine leukemia (ABL), met proto-oncogene (MET), receptor tyrosine kinase (AXL), and v-ros UR2 sarcoma virus oncogene homolog 1 (ROS1)… read more here.
Keywords: liver microsomes; drug; reactive intermediates; bioactivation ... See more keywords
Thiyl Radicals: Versatile Reactive Intermediates for Cyclization of Unsaturated Substrates
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DOI: 10.3390/molecules25133094
Abstract: Sulfur centered radicals are widely employed in chemical synthesis, in particular for alkene and alkyne hydrothiolation towards thioether bioconjugates. The steadfast radical chain process that enables efficient hydrothiolation has been explored in the context of… read more here.
Keywords: intermediates cyclization; versatile reactive; reactive intermediates; thiyl radicals ... See more keywords
Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.48550/arxiv.2203.01276
Abstract: Virtual high-throughput screening (VHTS) and machine learning (ML) have greatly accelerated the design of single-site transition-metal catalysts. VHTS of catalysts, however, is often accompanied with a high calculation failure rate and wasted computational resources due… read more here.
Keywords: reactive intermediates; dynamic classifier; machine learning; geometry ... See more keywords