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作 者:Meng Gu Li Yang William L Hase Jianmin Sun Jiaxu Zhang
机构地区:[1]MlIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage,School of Chemistry and Chemical Engineering,Harbin Institute of Technology,Harbin,Heilongjiang 150001,China [2]Department of Chemistry and Biochemistry,Texas Tech University,Lubbock,TX,79401,USA
出 处:《Chinese Journal of Chemistry》2019年第3期237-243,共7页中国化学(英文版)
摘 要:Summary of main observation and conclusion Atomistic dynamics of protonated polyglycine, glyn-H^+(n = 3, 5, and 7), colliding with a fluorinated octanethiol self-assembled monolayer (F-SAM) surface has been studied by trajectory calculations. The effects of peptide size on the collision processes and energy transfer efficiencies are emphasized and discussed in detail. The simulations show that the fraction of trapping, which is related to the soft-landing process, dramatically drops with the in crease in collisi on energy, but gently increases with the peptide size. The average energy transfer to the peptide ion's internal degrees of freedom, AEint, is compared with previous experiments. The limiting probability Po of energy transfer to the surface is given by fitting a function of Poexp(—b/&). Our results suggest that the efficiencies of energy transfer are less dependent on the masses, even the categories of the peptide ions, and are determined by the character of the surfaces.
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