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1.
ACS Omega ; 9(11): 12779-12788, 2024 Mar 19.
Article in English | MEDLINE | ID: mdl-38524468

ABSTRACT

The paper introduced hydrophilic functional groups on the surface of the MgO desulfurizer to improve its dispersion and hydrophilicity on the basis of reducing the particle size of the MgO desulfurizer to the nanometer level. Mechanical grinding technology was used to improve the traditional two-step method to lay the foundation for its large-scale production. The stability test showed that the ζ potential of the 5 wt % modified MgO desulfurizer was greater than 50 mV with 30 days of storage, and the sedimentation rate was not more than 7%. The dissolution reactivity and kinetics experiments showed that the decrease of particle size and the increase of hydrophilicity and dispersion were conducive to accelerating the dissolution rate of the MgO desulfurizer and reducing the apparent activation energy. Meanwhile, the good dissolution rate of the modified MgO nanofluids prepared by the improved method could reduce the liquid film mass transfer resistance and prolonged the penetration time.

2.
Sensors (Basel) ; 23(4)2023 Feb 19.
Article in English | MEDLINE | ID: mdl-36850916

ABSTRACT

Aiming at the fault diagnosis accuracy of rolling bearings is not high enough, and unknown faults cannot be correctly identified. A priority elimination (PE) method is proposed in this paper. First, the priority diagnosis sequence of faults was determined by comparing the ratios of the inter-class distance to the intra-class distance for all faults. Then, the model training and fault diagnosis were carried out in order of the priority sequence, and the samples of the fault that had been identified were eliminated from the data set until all faults were diagnosed. For the diagnosis model, the stacked sparse auto-encoder network (SSAE) was selected to extract the features of the vibration signal. The extreme gradient boosting algorithm (XGBoost) was chosen to identify the fault type. Finally, the method was tested and verified by experimental data and compared with classical algorithms. Research results indicate the following: (1) with the addition of PE based on SSAE-XGBoost, the fault diagnosis accuracy can be improved from 96.3% to 99.27%, which is higher than other methods; (2) for the test set with the samples of unknown faults, the diagnosis accuracy of SSAE-XGBoost with PE can reach 92.34%, which is nearly 6% higher than that without PE and is also obviously higher than other classical fault diagnosis methods with or without PE. The PE method can not only improve the diagnosis accuracy of faults but also identify unknown faults, which provides a new method and way for fault diagnosis.

3.
Opt Express ; 28(21): 31572-31583, 2020 Oct 12.
Article in English | MEDLINE | ID: mdl-33115127

ABSTRACT

Aiming at achieving metamaterials (MTM)-based enhanced transmission through the sub-wavelength aperture on a metallic isolating plate in specific frequency band, the topology optimization method for MTM microstructure design was proposed. The MTM was inserted in the sub-wavelength aperture and perpendicular to the isolating plate. A piecewise preset function was employed to describe the expected enhanced and non-enhanced transmission frequency band. The transmission coefficient of the waveguide system with the designed MTM was mapped to a step mapping function. In the topology optimization of the MTM configuration, matching the mapping function to the preset function was chosen as the design objective. Three designs aiming at different specific enhanced transmission frequency band were carried out. The design satisfied the demand for the specific enhanced transmission frequency band, which was also validated by experiment.

4.
J Mol Model ; 18(3): 851-8, 2012 Mar.
Article in English | MEDLINE | ID: mdl-21625901

ABSTRACT

Cyclic peptides are exciting novel hosts for chiral and molecular recognition. In this work, the inclusion complexes of cyclic decapeptide (CDP) with the 1-phenyl-1-propanol enantiomers (E-PP) are firstly studied using the density functional theory (DFT) B3LYP method. Our calculated results indicated that S(-)-1-phenyl-1-propanol (S-PP) could form a more stable inclusion complex with CDP than that of R(+)-1-phenyl-1-propanol (R-PP). The obvious differences in binding energy and thermodynamics data suggest that the cyclic decapeptide could differentiate the two enantiomers. Furthermore, molecular dynamics simulation results have supported the conclusions obtained by DFT. The current investigation shows that cyclic peptide is a desirable host molecule for chiral and molecular recognition.


Subject(s)
Oligopeptides/chemistry , Peptides, Cyclic/chemistry , Propanols/chemistry , Models, Molecular , Protein Binding , Stereoisomerism , Thermodynamics
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