self-distribution-function procedure in elastic incoherent neutron scattering for biosystems molecular motion characterizationself-distribution-function过程生物系统的弹性不连贯的中子散射分子运动特征.pdfVIP

Spectroscopy 24 (2010) 387–391 387 DOI 10.3233/SPE-2010-0454 IOS Press Self-distribution-function procedure in elastic incoherent neutron scattering for biosystems molecular motion characterization Salvatore Magazù a,∗, Federica Migliardo a,b , Antonio Benedetto a , Miguel Gonzalez c and Claudia Mondelli c a Dipartimento di Fisica, Università di Messina, Messina, Italy b Laboratoire de Dynamique et Structure des Matériaux Moléculaires, UNESCO–L’Oreal University of Lille I, Villeneuve d’Ascq, France c Consiglio Nazionale delle Ricerche – Istituto Officina dei Materiali, Institut Laue–Langevin, Grenoble, France Abstract. In the present contribution we present a new procedure for the Mean Square Displacement (MSD) determination from Elastic Incoherent Neutron Scattering (EINS) where the connection between the Self-Distribution Function (SDF) and the measured EINS intensity profile is highlighted. We show how the SDF procedure allows both the total and the partial MSD evaluation, through the total and the partial SDFs. The procedure is applied on EINS data collected, by the IN13 backscattering spectrometer (ILL, Grenoble), on aqueous mixtures of sucrose and trehalose. Keywords: Molecular motions, self-distribution function, mean square displacement, resolution effects, elastic incoherent neutron scattering, homologous disaccharides 1. Introduction It is well known that the characterization of the different molecular processes involved in the dy- namics of some molecular and macromolecular systems of biophysical interest, such as for example bioprotectant/water mixtures, pure and hydrated polymeric systems, hydrated and crystalline proteins, can be effectively investigated by evaluating the Mean Square Displacement (MSD) [1] from Elastic Incoherent Neutron Scattering (EINS) data collected by varying temperature, energy resolution, wave-