Yuan Shi-Ling

Shandong University, Chi-nan-shih, Shandong Sheng, China

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Publications (4)3.64 Total impact

  • Hu Li-Mei · Lin Cun-Guo · Wang Li · Yuan Shi-Ling
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    ABSTRACT: Molecular dynamics simulations were used to compare the adsorption behavior of lysozyme on two typical antifouling polymer materials: poly(ethylene) glycol (PEG) and poly(dimethylsiloxane) (PDMS). The influence of the surface properties of the polymer films on protein adsorption is discussed at the microscale. Based on the interactions, energy changes between the protein and polymer films, and dynamical behavior of the hydration molecules near the polymer film, the reasons why the PEG antifouling coating has a better antifouling effect than the PDMS surface were determined as follows. (1) The lower binding energy between the protein and the PEG coating than between the protein and the PDMS coating makes the protein adsorb weaker on the PEG coating than on the PDMS coating. (2) The protein would adsorb on the film surface when overcoming the energy barrier caused by the hydration layer. Molecular water adsorbs on the PEG surface stronger than on the PDMS surface, and is difficult to desorb. Therefore, the protein needs to overcome a higher energy barrier to adsorb to the PEG surface than to the PDMS surface, and thus it is more difficult for protein to absorb on the PEG surface than on the PDMS surface.
    No preview · Article · Nov 2014 · ACTA PHYSICO-CHIMICA SINICA
  • Zhang Heng · Hu Li-mei · Lin Cun-guo · Wang Li · Yuan Shi-ling
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    ABSTRACT: A series of molecular dynamics simulations were conducted to investigate the interaction between protein (lysozyme) and two typical non-fouling membranes (PDMS and SBMA). Lysozymes were initially put on the surfaces of two non-fouling membranes with a minimal separation distance 0.5 nm, 1.0 nm and 1.5 nm. Centroids of proteins were fixed during the first 15 ns simulation to determine the forces that membranes extended on proteins. Then the fix was cancelled in the following 20 ns simulations. At the end of simulations, both the proteins were adsorbed on membranes. By analyzing the types of residues near adsorption sites, contact areas, hydrogen bonds, VDW contacts between protein and membranes, we concluded that PDMS has a better combination with lysozyme than SBMA. This closely adsorption makes the protein not easy to leave from membranes. To fully understand the molecular mechanism of non-fouling materials, the simulation results were analyzed from two aspects : interaction between protein and membrane, interaction between surface hydration layer and membrane. Combined with our previous work which concentrated on properties of surface hydration layers it is concluded (1) PDMS has a larger attractive force on protein than SBMA at the whole distance range. Both the interactions between protein and membranes were energetically favorable, but Lysozyme interacted much more strongly with PDMS than SBMA. (2) SBMA has plenty of hydrogen bonds, electrostatic interactions, and cage effects with surface waters that lead to a stable surface hydration layer. The hydration layers were believed to form a physical and energetic barrier to prevent protein adsorption on the surface. At last we proposed a possible mechanism of protein adsorption or anti-fouling: the first obligatory step of protein adsorption was the dehydration of both protein and the membrane. After that, protein induced a series of conformation changes to change its surface hydrophobic/hydrophilic properties, charge distributions etc. Then it came to the final stable adsorption state by forming hydrogen bonds, VDW contacts and electrostatic interactions between protein and substrates.
    No preview · Article · Jan 2014 · Acta Polymerica Sinica
  • Yuan Shi-Ling · Cai Zheng-Ting · Xu Gui-Ying
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    ABSTRACT: The aggregates in sodium dedecylsulphate (SDS)/dimethylbenzene/water systems have been investigated using dissipative particles dynamic (DPD) simulation method. Through analyzing three-dimensional structures of aggregates, three simulated results are found. One is the phase separation, which is clearly observed by water density and the aggregates in the simulated cell; another is the water morphology in reverse micelle, which can be found through the isodensity slice of water including bound water, trapped water and bulky water; the third is about the water/oil interface, i. e., ionic surfactant molecules, SDS, prefer to exist in the interface between water and oil phase at the low concentration.
    No preview · Article · Feb 2010 · Chinese Journal of Chemistry
  • CUI Peng · YUAN Shi-Ling · XU Gui-Ying
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    ABSTRACT: Nanostructure SiO<SUB>2</SUB> was prepared from mealies corns. The micron phytoliths were obtained after treatment with mixed acids, using the phytolith samples as raw materials, nano-silica was obtained through calcining at certain temperature after boiling in the nitric solution. And its structure was characterized by X-ray diffraction (XRD), optical microscope, transmission electron microscope (TEM), scanning electron microscope (SEM), energy dispersive spectroscope (EDS) and Infrared Spectroscope (IR). The results show that the phytoliths are all dumbbellª²type in cornstalks and leaves in the micro level; however they are located along or against vertically the lignose, respectively. The nanoª²silica with diameter of 103nm is obtained through calcination after boiling in HNO<SUB>3</SUB> solution, and the nano SiO<SUB>2</SUB> crosslink in higher temperature.
    No preview · Article · Jun 2009 · Journal of Inorganic Materials

Publication Stats

14 Citations
3.64 Total Impact Points


  • 2009-2014
    • Shandong University
      • • Department of Chemical Engineering
      • • Center for Colloid and Interface Chemistry
      Chi-nan-shih, Shandong Sheng, China