Norcoclaurine synthases (NCS), catalyzing a Pictet-Spengler reaction in plants as one of the first enzymes in the biosynthetic benzylisoquinoline pathway, are investigated for biocatalytic transformations. The library of NCS available is extended by two novel NCSs from Argemone mexicana (AmNCS1, AmNCS2) and one new NCS from Corydalis saxicola (CsNCS); furthermore, it is shown that the NCS from Papaver bracteatum (PbNCS) is a highly productive catalyst leading to the isoquinoline product with up to >99% e.e. Under certain conditions lyophilized whole Escherichia coli cells containing the various overexpressed NCS turned out to be suitable catalysts. The reaction using dopamine as substrate bears several challenges such as the spontaneous nonstereoselective background reaction and side reactions. The PbNCS enzyme is successfully immobilized on various carriers whereby EziG3 proved to be the best suited for biotransformations. Dopamine showed limited stability in solution resulting in the coating of the catalyst over time, which could be solved by the addition of ascorbic acid (e.g., 1 mg ml À1 ) as antioxidant.
We devise a framework based on the generalized contact formalism that combines the nuclear shell model and quantum Monte Carlo methods and compute the neutrinoless double-beta decay of experimentally relevant nuclei, including 76 Ge, 130 Te, and 136 Xe. In light nuclei, we validate our nuclear matrix element calculations by comparing against accurate variational Monte Carlo results. Due to additional correlations captured by quantum Monte Carlo and introduced within the generalized contact formalism, in heavier systems, we obtain long-range nuclear matrix elements that are about 30% smaller than previous shell-model results. We also evaluate the recently recognized short-range nuclear matrix element estimating its coupling by the charge-independence-breaking term of the Argonne v18 potential used in the Monte Carlo calculations. Our results indicate an enhancement of the total nuclear matrix element by around 30%.
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