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                 Water slowing down drives the occurrence of the low temperature dynamical transition in microgels                                  

                  Letizia Tavagnacco, Marco Zanatta, Elena Buratti, Monica Bertoldo, Ester Chiessi, Markus Appel,  
                                    Francesca Natali, Andrea Orecchini, and Emanuela Zaccarelli                        

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RAWdata includes raw data used in the manuscript.


Subdirectories are organized following the Figures showed in the manuscript.
 

Folder Figure 1 includes:

- Integrated elastic intensity as a function of temperature measured on IN13 for D-PNIPAM in H2O at 45 wt %, 50 wt %, and 60 wt %.
  col 1: temperature [K].
  col 2: integrated elastic intensity.

- Integrated elastic intensity as a function of temperature measured on IN16B for D-PNIPAM in H2O at 45 wt %, 50 wt %, and 60 wt %.
  col 1: temperature [K].
  col 2: integrated elastic intensity.

- Integrated elastic intensity as a function of temperature measured on IN16B for D-PNIPAM in H2O, H-PNIPAM in H2O, and H-PNIPAM in D2O at 60 wt %, acquired upon heating.
  col 1: temperature [K].
  col 2: integrated elastic intensity.

- Integrated elastic intensity as a function of temperature measured on IN16B for D-PNIPAM in H2O at 60 wt % acquired upon cooling.
  col 1: temperature [K].
  col 2: integrated elastic intensity.


Folder Figure 2 includes:

- Temperature dependence of the calculated mean squared displacement (MSD) from MD simulations of PNIPAM 60 wt % at 1800 ps, averaged over 200 ns, for PNIPAM hydrogen atoms, all water molecules, hydration water molecules, and water molecules of an independent simulation of bulk water.
  col 1: temperature [K].
  col 2: MSD [A^2].


Folder Figure 3 includes:

- Water self diffusion coefficient Dw calculated for water molecules in simulations of bulk water, PNIPAM 40 wt %,  and PNIPAM 60 wt %.
  col 1: temperature [K]. 
  col 2: Dw [cm^2 s^-1 10^-5]


Folder Figure 4 includes:

- Water MSD calculated from simulations of PNIPAM 60 wt % at the resolution time of IN13 (150 ps).
  col 1: temperature [K].
  col 2: MSD [A^2].

- Experimental MSD, obtained through a double well (DW) fit of I(Q) measured on IN16B for D-PNIPAM in H2O at 60 wt % under heating and cooling cycles, and also obtained from a Gaussian fit (G) of the data measured only upon cooling.
  col 1: temperature [K].
  col 2: MSD [A^2].


Folder Simulation setup includes:

- Atomic coordinates of a configuration of nanoscale network model in Tip4p/Ice water with a polymer concentration of 60 wt % in .pdb format.

- Setup

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