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  • AIP Publishing  (4)
  • Asia - CrossAsia  (4)
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  • AIP Publishing  (4)
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  • Asia - CrossAsia  (4)
  • 1
    Online Resource
    Online Resource
    AIP Publishing ; 2018
    In:  Chinese Journal of Chemical Physics Vol. 31, No. 1 ( 2018-02-27), p. 85-91
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 31, No. 1 ( 2018-02-27), p. 85-91
    Abstract: Using all-atom molecular dynamics (MD) simulations, we have investigated the adsorption stability and conformation change of different proteins on the surface of pristine graphene (PG) and graphene oxide (GO). We find that: (i) with the cooperation of the electrostatic interactions between proteins and oxygen-containing groups, GO shows better adsorption stability than PG; (ii) the peptide loses its secondary structure on both PG and GO surface, and the α-helix structure of the protein fragment is partially broken on PG surface, but is well preserved on GO surface, while the secondary structure of globular protein has no distinct change on both PG and GO surface. In general, GO presents better biocompatibility than PG. Our results are of significant importance to understand the interactions between proteins and PG/GO and the applications of PG/GO in biotechnology and biomedicine.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2018
    detail.hit.zdb_id: 2381472-X
    SSG: 6,25
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  • 2
    Online Resource
    Online Resource
    AIP Publishing ; 2015
    In:  Chinese Journal of Chemical Physics Vol. 28, No. 4 ( 2015-08-27), p. 471-475
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 28, No. 4 ( 2015-08-27), p. 471-475
    Abstract: The dynamics of the F+H2(v=0, j=0, 1) reactions have been studied at the collision energy of 1.27 kcal/mol using a high-resolution crossed molecular beam apparatus. HF product rotational state resolved differential cross sections have been obtained at the v′=1, 2, 3 levels. The product HF(v′=2) angular distributions are predominantly backward scattered for both H2 (j=0, 1) reagents. However, the distributions of product HF(v′=2) rotational states for the F+H2(v=0, j=0) reaction are significantly different from those for the F+H2(v=0, j=1) reaction. Experimental results show that the rotational excitation of H2 produces rotationally ‘hotter' HF(v′=2) product. In addition, the HF(v′=3) product is more likely scattered into the forward direction when the H2 reagent is populated at j=0 state, which could be attributed to a slow-down mechanism.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2015
    detail.hit.zdb_id: 2381472-X
    SSG: 6,25
    Location Call Number Limitation Availability
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  • 3
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 27, No. 6 ( 2014-12-27), p. 631-639
    Abstract: In order to investigate the atmospheric oxidation processes and the formation of secondary organic aerosol (SOA), an indoor environmental reaction smog chamber are constructed and characterized. The system consists of the collapsible ∼830 L FEP Teflon film main reactor, in which the atmospheric chemical reactions take place and the formation of SOA occurs under the simulated atmospheric conditions, and the diverse on-line gas- and particle-phase instrumentation, such as the proton transfer reaction mass spectrometer, the synchrotron radiation photoionization mass spectrometer, the aerosol laser time-of-flight mass spectrometer, and other traditional commercial instruments. The initial characterization experiments are described, concerning the temperature and ultraviolet light intensity, the reactivity of the pure air, the wall loss rates of gaseous compounds and particulate matter. And the initial evaluation experiments for SOA yields from the ozonolysis of α-pinene and for mass spectra of the products resulting from the photooxidation of OH initiated isoprene are also presented, which indicate the applicability of this facility on the studies of gas-phase chemical mechanisms as well as the formation of SOA expected in the atmosphere.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2014
    detail.hit.zdb_id: 2381472-X
    SSG: 6,25
    Location Call Number Limitation Availability
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  • 4
    Online Resource
    Online Resource
    AIP Publishing ; 2007
    In:  Chinese Journal of Chemical Physics Vol. 20, No. 6 ( 2007-12-01), p. 733-738
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 20, No. 6 ( 2007-12-01), p. 733-738
    Abstract: Mesoporous TiO2 powder and films with worm-like channels were synthesized by an evaporation-induced self-assembly approach. The as-prepared samples were calcined at different temperature to investigate the effect of calcined temperature on the mesostructure and the photocatalytic activity. Acetaldehyde photodegradation in gas phase was employed to evaluate the photocatalytic activity of mesoporous TiO2. Results showed that all the calcined powder samples exhibited higher photocatalytic activities than that of Degussa P25. The sample calcined at 400C, which showed higher activity than other samples, possessed a homogeneous pore diameter of about 6.0 nm and an 11.0 nm crystalline anatase pore wall, as well as large surface area of 117 m2/g. It was speculated that two factors of surface area and crystallinity affected the photocatalytic activity of mesoporous TiO2 photocatalyst. The mesoporous TiO2 films fabricated by spin-coating also had high photocatalytic activities.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2007
    detail.hit.zdb_id: 2381472-X
    SSG: 6,25
    Location Call Number Limitation Availability
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