A monochromator is important to a beamline for desired monochromatic light. There are three water-cooled double crystal monochromators(DCMs) commissioned in the phase-I beamlines of Shanghai Synchrotron Radiation Faci...A monochromator is important to a beamline for desired monochromatic light. There are three water-cooled double crystal monochromators(DCMs) commissioned in the phase-I beamlines of Shanghai Synchrotron Radiation Facility(SSRF). In this paper, the mechanical principle of the DCMs is introduced. A control system for the monochromator based on the standard architecture for SSRF beamlines is described. To achieve the control requirement precisely, the hardware includes VME(Versa Module Eurocard)-based controller for stepper motors, RS-232-based controllers for micropositioning and piezoelectric actuators. The software is developed with EPICS(Experimental Physics and Industrial Control System) package. Test results have revealed the stability and reliability of the system.展开更多
Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM d...Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.展开更多
The deep cement mixing(DCM)is used to improve the capacity and reduce the settlement of the soft ground by forming cemented clay columns.The investigation on the mechanical behaviour of the DCM samples is limited to e...The deep cement mixing(DCM)is used to improve the capacity and reduce the settlement of the soft ground by forming cemented clay columns.The investigation on the mechanical behaviour of the DCM samples is limited to either laboratory-prepared samples or in-situ samples under unconfined compression.In this study,a series of drained and undrained triaxial shearing tests was performed on the in-situ cored DCM samples with high cement content to assess their mechanical behaviours.It is found that the drainage condition affects significantly the stiffness,peak and residual strengths of the DCM samples,which is mainly due to the state of excess pore water pressure at different strain levels,i.e.being positive before the peak deviatoric stress and negative after the peak deviatoric stress,in the undrained tests.The slope of the failure envelope changes obviously with the confining pressures,being steeper at lower stress levels and flatter at higher stress levels.The strength parameters,effective cohesion and friction angle obtained from lower stress levels(c′0 andφ′0)are 400 kPa and 58°,respectively,which are deemed to be true for design in most DCM applications where the in-situ stress levels are normally at lower values of 50-200 kPa.Additionally,the computed tomography(CT)scanning system was adopted to visualize the internal structures of DCM samples.It is found that the clay pockets existing inside the DCM samples due to uneven mixing affect markedly their stress-strain behaviour,which is one of the main reasons for the high variability of the DCM samples.展开更多
基金Supported by the National Facility for Protein Science in Shanghaithe National Natural Science Foundation of China(No.U1232115)
文摘A monochromator is important to a beamline for desired monochromatic light. There are three water-cooled double crystal monochromators(DCMs) commissioned in the phase-I beamlines of Shanghai Synchrotron Radiation Facility(SSRF). In this paper, the mechanical principle of the DCMs is introduced. A control system for the monochromator based on the standard architecture for SSRF beamlines is described. To achieve the control requirement precisely, the hardware includes VME(Versa Module Eurocard)-based controller for stepper motors, RS-232-based controllers for micropositioning and piezoelectric actuators. The software is developed with EPICS(Experimental Physics and Industrial Control System) package. Test results have revealed the stability and reliability of the system.
基金National Natural Science Foundation of China(22073030)the Oriental Scholars of Shanghai Universities。
文摘Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.
基金funded by the Environment and Conservation Fund(Grant Nos.2020-170 and 2021-156)the National Natural Science Foundation of China(Grant No.42102327).
文摘The deep cement mixing(DCM)is used to improve the capacity and reduce the settlement of the soft ground by forming cemented clay columns.The investigation on the mechanical behaviour of the DCM samples is limited to either laboratory-prepared samples or in-situ samples under unconfined compression.In this study,a series of drained and undrained triaxial shearing tests was performed on the in-situ cored DCM samples with high cement content to assess their mechanical behaviours.It is found that the drainage condition affects significantly the stiffness,peak and residual strengths of the DCM samples,which is mainly due to the state of excess pore water pressure at different strain levels,i.e.being positive before the peak deviatoric stress and negative after the peak deviatoric stress,in the undrained tests.The slope of the failure envelope changes obviously with the confining pressures,being steeper at lower stress levels and flatter at higher stress levels.The strength parameters,effective cohesion and friction angle obtained from lower stress levels(c′0 andφ′0)are 400 kPa and 58°,respectively,which are deemed to be true for design in most DCM applications where the in-situ stress levels are normally at lower values of 50-200 kPa.Additionally,the computed tomography(CT)scanning system was adopted to visualize the internal structures of DCM samples.It is found that the clay pockets existing inside the DCM samples due to uneven mixing affect markedly their stress-strain behaviour,which is one of the main reasons for the high variability of the DCM samples.
