% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{DeFrancesco:865347,
      author       = {De Francesco, Alessio and Scaccia, Luisa and Lennox, R.
                      Bruce and Guarini, Eleonora and Bafile, Ubaldo and Falus,
                      Peter and Maccarini, Marco},
      title        = {{M}odel-free description of polymer-coated gold
                      nanoparticle dynamics in aqueous solutions obtained by
                      {B}ayesian analysis of neutron spin echo data},
      journal      = {Physical review / E},
      volume       = {99},
      number       = {5},
      issn         = {2470-0045},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-04845},
      pages        = {052504},
      year         = {2019},
      abstract     = {We present a neutron spin echo study of the nanosecond
                      dynamics of polyethylene glycol (PEG) functionalized
                      nanosized gold particles dissolved in D2O at two
                      temperatures and two different PEG molecular weights (400D
                      and 2000D). The analysis of the neutron spin echo data was
                      performed by applying a Bayesian approach to the description
                      of time correlation function decays in terms of exponential
                      terms, recently proved to be theoretically rigorous. This
                      approach, which addresses in a direct way the fundamental
                      issue of model choice in any dynamical analysis, provides
                      here a guide to the most statistically supported way to
                      follow the decay of the intermediate scattering functions
                      I(Q,t) by basing on statistical grounds the choice of the
                      number of terms required for the description of the
                      nanosecond dynamics of the studied systems. Then, the
                      presented analysis avoids from the start resorting to a
                      preselected framework and can be considered as model free.
                      By comparing the results of PEG-coated nanoparticles with
                      those obtained in PEG2000 solutions, we were able to
                      disentangle the translational diffusion of the nanoparticles
                      from the internal dynamics of the polymer grafted to them,
                      and to show that the polymer corona relaxation follows a
                      pure exponential decay in agreement with the behavior
                      predicted by coarse grained molecular dynamics simulations
                      and theoretical models. This methodology has one further
                      advantage: in the presence of a complex dynamical scenario,
                      I(Q,t) is often described in terms of the
                      Kohlrausch-Williams-Watts function that can implicitly
                      represent a distribution of relaxation times. By choosing to
                      describe the I(Q,t) as a sum of exponential functions and
                      with the support of the Bayesian approach, we can explicitly
                      determine when a finer-structure analysis of the dynamical
                      complexity of the system exists according to the available
                      data without the risk of overparametrization. The approach
                      presented here is an effective tool that can be used in
                      general to provide an unbiased interpretation of neutron
                      spin echo data or whenever spectroscopy techniques yield
                      time relaxation data curves.},
      cin          = {MLZ / JCNS-FRM-II},
      ddc          = {530},
      cid          = {I:(DE-588b)4597118-3 / I:(DE-Juel1)JCNS-FRM-II-20110218},
      pnm          = {6215 - Soft Matter, Health and Life Sciences (POF3-621) /
                      6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
                      Neutron Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-6215 / G:(DE-HGF)POF3-6G15 /
                      G:(DE-HGF)POF3-6G4},
      experiment   = {EXP:(DE-MLZ)J-NSE-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:31212567},
      UT           = {WOS:000467737500010},
      doi          = {10.1103/PhysRevE.99.052504},
      url          = {https://juser.fz-juelich.de/record/865347},
}