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Creators/Authors contains: "Xin, Lianxin"

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  1. ; ; ; ; (, Journal of Modern Physics)
    null (Ed.)
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  2. ; ; ; ; ; ; (, Nanoparticles, and Molecular Probes for Biomedical Applications XII)
    Achilefu, Samuel; Raghavachari, Ramesh (Ed.)
    In this study, we used GROMACS, a versatile package for performing molecular dynamics to simulate the interactions between different nanoparticles and Dipalmitoyl Phosphatidyl Choline (DPPC) to understand the physical mechanisms that govern the interactions between nanoparticles and lipid membrane. Our simulations show the responses of the lipid bilayer to the nanoparticles, including the formation of an adsorbent layer on the nanoparticle surface, transmembrane ectopic movements, and inconspicuous endocytosis of the nanoparticle by the membrane. The effects of the size of the nanoparticles, structural shape, and charge state on the interaction and transport processes will be examined and summarized. 
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  3. ; ; ; ; ; ; ; (, Optical Diagnostics and Sensing XIX: Toeard Point-of-Care Diagnostics)
    Amino acids are the basic “building blocks” of peptides and proteins and play important roles in the physiological processes of all species. In this study, we simulated the Raman spectrum of Glycine, Tyrosine and Phenylalanine using General Atomic and Molecular Electronic Structure System (GAMESS) and Gaussian, two computational codes that perform calculations of electronic and vibrational properties of molecules. Through our work, strong bands with N-H and O-H bonds and with benzyl ring were pinpointed and identified. Our work presents insights into the importance of intermolecular bonding of amino acids in the life and physiological processes, including metabolism, signal transduction, and neurotransmission etc. 
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