Qixuan Jiang
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Qixuan Jiang has a total of 12 co-authors. Here are the top co-authors by number of shared publications:
- Luo Liu
Beijing University of Chemical Technology
2 shared publications - Haijun Xu
Beijing Bioprocess Key Laboratory, Beijing University of Chemical Technology, Beijing, China
1 shared publication - Heming Sun
Beijing Bioprocess Key Laboratory, Beijing University of Chemical Technology, Beijing 100029, China
1 shared publication - Hui Cao
College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, PR China
1 shared publication - Kaili Nie
College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China
1 shared publication - Qinfei Zhang
Beijing Bioprocess Key Laboratory, Beijing University of Chemical Technology, Beijing 100029, China
1 shared publication
Latest Publications
- Open Access
Enhancing the Thermal Stability of Glutathione Bifunctional Synthase by B-Factor Strategy and Un/Folding Free Energy Calculation
Glutathione is of great significance in pharmaceutical and health fields, and one-step synthesis of reduced glutathione by glutathione bifunctional synthase has become a focus of research. The stability of glutathione bifunctional synthase is generally poor and urgently needs to be modified. The B-factor strategy and un/folding free energy calculation were both applied to enhance the thermal stability of glutathione bifunctional synthase from Streptococcus agalactiae (GshFSA). Based on the concept of B-factor strategy, we calculated the B-factor by molecular dynamics simulation to find flexible residues, performed point saturation mutations and high-throughput screening. At the same time, we also calculated the un/folding free energy of GshFSA and performed the point mutations. The optimal mutant from the B-factor strategy was R270S, which had a 2.62-fold increase in half-life period compared to the wild type, and the Q406M was the optimal mutant from the un/folding free energy calculation, with a 3.02-fold increase in half-life period. Both of them have provided a mechanistic explanation.
Open AccessEnhancing the Thermal Stability of Glutathione Bifunctional Synthase by B-Factor Strategy and Un/Folding Free Energy Calculation
Glutathione is of great significance in pharmaceutical and health fields, and one-step synthesis of reduced glutathione by glutathione bifunctional synthase has become a focus of research. The stability of glutathione bifunctional synthase is generally poor and urgently needs to be modified. The B-factor strategy and un/folding free energy calculation were both applied to enhance the thermal stability of glutathione bifunctional synthase from Streptococcus agalactiae (GshFSA). Based on the concept of B-factor strategy, we calculated the B-factor by molecular dynamics simulation to find flexible residues, performed point saturation mutations and high-throughput screening. At the same time, we also calculated the un/folding free energy of GshFSA and performed the point mutations. The optimal mutant from the B-factor strategy was R270S, which had a 2.62-fold increase in half-life period compared to the wild type, and the Q406M was the optimal mutant from the un/folding free energy calculation, with a 3.02-fold increase in half-life period. Both of them have provided a mechanistic explanation.
- Open Access
Quantum Mechanical Investigation of the Oxidative Cleavage of the C–C Backbone Bonds in Polyethylene Model Molecules
Recalcitrant plastic waste has caused serious global ecological problems. There is an urgent need to develop environmentally friendly and efficient methods for degrading the highly stable carbon skeleton structure of plastics. To that end, we used a quantum mechanical calculation to thoroughly investigate the oxidative scission of the carbon-carbon (C–C) backbone in polyethylene (PE). Here, we studied the reaction path of C–C bond oxidation via hydroxyl radical in PE. The flexible force constants and fuzzy bond orders of the C–C bonds were calculated in the presence of one or more carbocations in the same PE carbon chain. By comparison, the strength of the C–C bond decreased when carbocation density increased. However, the higher the density of carbocations, the higher the total energy of the molecule and the more difficult it was to be generated. The results revealed that PE oxidized to alcohol and other products, such as carboxylic acid, aldehyde and ketone, etc. Moreover, the presence of carbocations was seen to promote the cleavage of C–C backbones in the absence of oxygen.
Open AccessQuantum Mechanical Investigation of the Oxidative Cleavage of the C–C Backbone Bonds in Polyethylene Model Molecules
Recalcitrant plastic waste has caused serious global ecological problems. There is an urgent need to develop environmentally friendly and efficient methods for degrading the highly stable carbon skeleton structure of plastics. To that end, we used a quantum mechanical calculation to thoroughly investigate the oxidative scission of the carbon-carbon (C–C) backbone in polyethylene (PE). Here, we studied the reaction path of C–C bond oxidation via hydroxyl radical in PE. The flexible force constants and fuzzy bond orders of the C–C bonds were calculated in the presence of one or more carbocations in the same PE carbon chain. By comparison, the strength of the C–C bond decreased when carbocation density increased. However, the higher the density of carbocations, the higher the total energy of the molecule and the more difficult it was to be generated. The results revealed that PE oxidized to alcohol and other products, such as carboxylic acid, aldehyde and ketone, etc. Moreover, the presence of carbocations was seen to promote the cleavage of C–C backbones in the absence of oxygen.