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Sökning: WFRF:(Zhang Guoyan)

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1.
  • 2019
  • Tidskriftsartikel (refereegranskat)
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2.
  • Wei, Minrui, et al. (författare)
  • Vibronic fine structure in the nitrogen 1s photoelectron spectra of molecules from Franck-Condon simulations: Azines
  • 2022
  • Ingår i: Physical Review A: covering atomic, molecular, and optical physics and quantum information. - : American Physical Society (APS). - 2469-9926 .- 2469-9934. ; 106:2
  • Tidskriftsartikel (refereegranskat)abstract
    • Vibronic coupling plays a pivotal role in molecular spectroscopy. We present a theoretical study on vibrationally resolved x-ray photoelectron spectra (XPS) of seven azines (CxHyNz; pyridine, three diazines, two triazines, and one tetrazine) at the nitrogen 1s edge, to explore the vibronic coupling effects as influenced by consecutive replacement of the CH group with a N atom. Franck-Condon simulations were performed with the Duschinsky rotation effect included, where the electronic structure was calculated by the density functional theory. Validations on pyrimidine show good agreement with the experiment, weak functional dependence, and weak mode mixing effect. We observed an evident blue shift in binding energies with the increasing number of N atoms in this series, together with molecule-dependent vibronic fine structures. These molecules have either C2v or Cs molecular symmetry at the optimized core-ionized geometries. Franck-Condon-active vibrational modes were identified to be low frequency (500–1650 cm−1), totally symmetric (A1 or A′), in-plane ring deformation modes. Core ionization on N∗ always leads to elongation of the N∗−N bond length, accompanied by an increase of the ∠C−N∗−X bond angle (X=C, N). Our study predicts accurate theoretical reference spectra for the azine family and provides useful information on the properties of the core-ionized states as influenced by the structural change of CH↔N replacement.
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3.
  • Zhang, Yufei, et al. (författare)
  • High-level co-production of 3-hydroxypropionic acid and 1,3-propanediol from glycerol : Metabolic engineering and process optimization
  • 2023
  • Ingår i: Bioresource Technology. - : Elsevier BV. - 0960-8524 .- 1873-2976. ; 369
  • Tidskriftsartikel (refereegranskat)abstract
    • 3-Hydroxypropionic acid (3-HP) and 1,3-propanediol (1,3-PDO) are value-added chemicals with versatile ap-plications in the chemical, pharmaceutical, and food industries. Nevertheless, sustainable production of 3-HP and 1,3-PDO is often limited by the lack of efficient strains and suitable fermentation configurations. Herein, attempts have been made to improve the co-production of both metabolites through metabolic engineering of Escherichia coli and process optimization. First, the 3-HP and 1,3-PDO co-biosynthetic pathways were recruited and opti-mized in E. coli, followed by coupling the pathways to the transhydrogenase-mediated cofactor regeneration systems that increased cofactor availability and product synthesis. Next, pathway rebalancing and block of by-product formation significantly improved 3-HP and 1,3-PDO net titer. Subsequently, glycerol flux toward 3 -HP and 1,3-PDO synthesis was maximized by removing metabolic repression and fine-tuning the glycerol oxidation pathway. Lastly, the combined fermentation process optimization and two-stage pH-controlled fed -batch fermentation co-produced 140.50 g/L 3-HP and 1,3-PDO, with 0.85 mol/mol net yield.
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