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      • Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations

        Chen, Sow-Hsin,Lagi, Marco,Chu, Xiang-qiang,Zhang, Yang,Kim, Chansoo,Faraone, Antonio,Fratini, Emiliano,Baglioni, Piero IOS Press 2010 Spectroscopy Vol.24 No.1

        <P>This review article describes our neutron scattering experiments made in the past four years for the understanding of the single-particle (hydrogen atom) dynamics of a protein and its hydration water and the strong coupling between them. We found that the key to this strong coupling is the existence of a fragile-to-strong dynamic crossover (FSC) phenomenon occurring at around TL=225±5 K in the hydration water. On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the high density form (HDL), a more fluid state, to predominantly the low density form (LDL), a less fluid state, derived from the existence of a liquid–liquid critical point at an elevated pressure. We show experimentally that this sudden switch in the mobility of hydration water on Lysozyme, B-DNA and RNA triggers the dynamic transition, at a temperature TD=220 K, for these biopolymers. In the glassy state, below TD, the biopolymers lose their vital conformational flexibility resulting in a substantial diminishing of their biological functions. We also performed molecular dynamics (MD) simulations on a realistic model of hydrated lysozyme powder, which confirms the existence of the FSC and the hydration level dependence of the FSC temperature. Furthermore, we show a striking feature in the short time relaxation (β-relaxation) of protein dynamics, which is the logarithmic decay spanning 3 decades (from ps to ns). The long time α-relaxation shows instead a diffusive behavior, which supports the liquid-like motions of protein constituents. We then discuss our recent high-resolution X-ray inelastic scattering studies of globular proteins, Lysozyme and Bovine Serum Albumin. We were able to measure the dispersion relations of collective, intra-protein phonon-like excitations in these proteins for the first time. We found that the phonon energies show a marked softening and at the same time their population increases substantially in a certain wave vector range when temperature crosses over the TD. Thus the increase of biological activities above TD has positive correlation with activation of slower and large amplitude collective motions of a protein.</P>

      • SCISCIESCOPUS

        Comparisons of computed mobile phone induced SAR in the SAM phantom to that in anatomically correct models of the human head

        Beard, B.B.,Kainz, W.,Onishi, T.,Iyama, T.,Watanabe, S.,Fujiwara, O.,Wang, Jianqing,Bit-Babik, G.,Faraone, A.,Wiart, J.,Christ, A.,Kuster, N.,Lee, Ae-Kyoung,Kroeze, H.,Siegbahn, M.,Keshvari, J.,Abrish [Institute of Electrical and Electronics Engineers 2006 IEEE transactions on electromagnetic compatibility Vol.48 No.2

        The specific absorption rates (SAR) determined computationally in the specific anthropomorphic mannequin (SAM) and anatomically correct models of the human head when exposed to a mobile phone model are compared as part of a study organized by IEEE Standards Coordinating Committee 34, Sub-Committee 2, and Working Group 2, and carried out by an international task force comprising 14 government, academic, and industrial research institutions. The detailed study protocol defined the computational head and mobile phone models. The participants used different finite-difference time-domain software and independently positioned the mobile phone and head models in accordance with the protocol. The results show that when the pinna SAR is calculated separately from the head SAR, SAM produced a higher SAR in the head than the anatomically correct head models. Also the larger (adult) head produced a statistically significant higher peak SAR for both the 1- and 10-g averages than did the smaller (child) head for all conditions of frequency and position.

      • KCI등재후보

        Nanoindentation of Laterally Overgrown Epitaxial Gallium Nitride

        M. Martyniuk,G. Parish,H. Marchand,P.T. Fini,S.P DenBaars,L. Faraone 대한금속·재료학회 2012 ELECTRONIC MATERIALS LETTERS Vol.8 No.2

        Nanoindentation has been used to investigate and compare the mechanical properties of GaN grown by the lateral epitaxial overgrowth (LEO) method and the defective seed region prepared by metalorganic chemical vapour deposition. Common modulus of elasticity values (~230 GPa) and hardness values (~19 GPa) were found for both materials. The GaN response to nanoindentation was found to be purely elastic for low inden-tation loads with the onset of plasticity being marked by discontinuities or “pop-in” events in the indenter load-penetration curves. The maximum shear stress under the indenter at pop-in events for LEO GaN cor-responds well with the critical shear stress necessary for homogeneous dislocation nucleation, indicating that the defects in this region are too sparse and do not aid in dislocation nucleation.

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