Rapid Screening of Lipase Inhibitors in Scutellaria baicalensis by Using Porcine Pancreatic Lipase Immobilized on Magnetic Core-Shell Metal-Organic Frameworks.

As for ligand fishing, the current immobilization approaches have some potential drawbacks such as the small protein loading capacity and difficult recycle process. The core-shell metal-organic frameworks composite (Fe3O4-COOH@UiO-66-NH2), which exhibited both magnetic characteristics and large specific surface area, was herein fabricated and used as magnetic support for the covalent immobilization of porcine pancreatic lipase (PPL). The resultant composite Fe3O4-COOH@UiO-66-NH2@PPL manifested a high loading capacity (247.8 mg/g) and relative activity recovery (101.5%). In addition, PPL exhibited enhanced tolerance to temperature and pH after immobilization. Then, the composite Fe3O4-COOH@UiO-66-NH2@PPL was incubated with the extract of Scutellaria baicalensis to fish out the ligands. Eight lipase inhibitors were obtained and identified by UPLC-Q-TOF-MS/MS. The feasibility of the method was further confirmed through an in vitro inhibitory assay and molecular docking. The proposed ligand fishing technique based on Fe3O4-COOH@UiO-66-NH2@PPL provided a feasible, selective, and effective platform for discovering enzyme inhibitors from natural products.

Identification of tunneling and multiphoton ionization in intermediate Keldysh parameter regime.

Quantitative identification of tunneling ionization (TI) and multiphoton ionization (MPI) with Keldysh parameter γ in intermediate regime is of great importance to better understand various ionization-triggered strong-field phenomena. We theoretically demonstrate that the numerical observable ionization delay time is a more reliable indicator for characterizing the transition from TI to MPI under different laser parameters. Using non-linear iterative curve fitting algorithm (NICFA), the detected time-dependent probability current of ionized electrons can be decoupled into weighted TI and MPI portions. This enables us to confirm that the observed plateau-like structure in ionization delay time picture at the intermediate γ originates from the competition between TI and MPI processes. A hybrid quantum and classical approach (HQCA) is developed to evaluate the weights of TI and MPI electrons in good agreement with NICFA result. Moreover, the well separated TI and MPI electrons using HQCA are further propagated classically for mapping their final momentum, which well reproduces the experimental or ab-initio numerical calculated signatures of ionized electron momentum distribution in a rather broad γ regime.