Geometrical distortions and charge transfer in munchnöne regio‐selectivity: A conceptual density functional study
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25444
Abstract: Dipolar cycloaddition reactions involving munchnones and simple dipolarophiles provide a versatile synthetic route toward pyrrole derivatives. However, despite their widespread use, there are still debates regarding the factors governing the regio-selectivity of these reactions. In… read more here.
Keywords: density functional; regio selectivity; conceptual density; selectivity ... See more keywords
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors†
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc04823b
Abstract: Accurate and rapid evaluation of whether substrates can undergo the desired the transformation is crucial and challenging for both human knowledge and computer predictions. Despite the potential of machine learning in predicting chemical reactivity such… read more here.
Keywords: machine learned; regio selectivity; reaction; learned reaction ... See more keywords
Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4′-di-O-glycosyltransferase from Ziziphus jujuba var. spinosa
Sign Up to like & getrecommendations! Published in 2023 at "Chemical Science"
DOI: 10.1039/d2sc06504e
Abstract: A highly efficient and promiscuous 7,4′-di-O-glycosyltransferase ZjOGT3 was discovered from the medicinal plant Ziziphus jujuba var. spinosa. ZjOGT3 could sequentially catalyse 4′- and 7-O-glycosylation of flavones to produce 7,4′-di-O-glycosides with obvious regio-selectivity. For 7,4′-dihydroxyl flavanones… read more here.
Keywords: regio selectivity; jujuba var; glycosyltransferase; var spinosa ... See more keywords
Optimization of the Lipase-Catalyzed Selective Amidation of Phenylglycinol
Sign Up to like & getrecommendations! Published in 2019 at "Frontiers in Bioengineering and Biotechnology"
DOI: 10.3389/fbioe.2019.00486
Abstract: Ceramides and their analogs have a regulatory effect on inflammatory cytokines expression. It was found that a kind of ceramides analog synthesized from phenylglycinol could inhibit the production of cytokine TNF-α. However, two active hydrogen… read more here.
Keywords: regio selectivity; phenylglycinol; lipase; amidation ... See more keywords