Supplementary Material: Supporting analytical data from Better together: synergy in nanocellulose blends

TEM image TEMPO CNF, results of Mw determination of (r-)BC and conductometric titration, FT-IR spectra of pulp and TEMPO-CNF, all single results of BC nanopaper tensile tests and a schemactic of freacture toughness samples as well as a photograph of actual samples

¹⁷O NMR and Density Functional Theory Study of the Dynamics of the Carboxylate Groups in DOTA Complexes of Lanthanides in Aqueous Solution

The rotation of the carboxylate groups in DOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) complexes of several lanthanide ions and Sc³⁺ was investigated with density functional theory (DFT) calculations and with variable temperature ¹⁷O NMR studies at 4.7–18.8 T. The data obtained show that the rotation is much slower than the other dynamic processes taking place in these complexes. The exchange between the bound and unbound carboxylate oxygen atoms for the largest Ln³⁺ ions (La³⁺→Sm³⁺) follows a pathway via a transition state in which both oxygens of the carboxylate group are bound to the Ln³⁺ ion, whereas for the smaller metal ions (Tm³⁺, Lu³⁺, Sc³⁺) the transition state has a fully decoordinated carboxylate group. The activation free energies show a steady increase from about 75 to 125–135 kJ·mol^–1 going from La³⁺ to Lu³⁺. This computed trend is consistent with the results of the ¹⁷O NMR measurements. Fast exchange between bound and unbound carboxylate oxygen atoms was observed for the diamagnetic La-DOTA, whereas for Pr-, Sm-, Lu-, and Sc-DOTA the exchange was slow on the NMR time scale. The trends in the linewidths for the various metal ions as a function of the temperature agree with trends in the rates as predicted by the DFT calculations

Introduction to Scientific Python and SunPy

<p>Originally written by Florian Mayer, this talk introduces Python for a scientific audience and the SunPy project.</p

SunPy: Python for Solar Physics Data Analysis

<p>Python has seen widespread adoption among the scientific community in recent years resulting in a wide range of software being written for everything from numerical computation and machine learning to spectral analysis and visualization. SunPy is a free and open-source software library for working with solar and heliospheric datasets, written in the Python programming language. It provides an alternative to the IDL-based SolarSoft (SSW) solar data analysis environment.</p> <p> </p> <p>SunPy has map objects that allow simple overplotting of data from multiple two-dimensional image FITS files; time-series objects that allow overplotting of multiple lightcurves, and integration with online services such as The Virtual Solar Observatory (VSO) and The Heliophysics Event Knowledgebase (HEK). SunPy also provides functionality that is not currently available in SSW such as advanced time series manipulation routines and support for working with solar data stored using JPEG 2000. We give some examples of what can be done in SunPy, and show how Python-based solar data-analysis can take advantage of many different data analysis tools not readily available in SSWIDL.</p> <p> </p> <p>We also discuss future goals for the project and ways for interested users can become involved in the planning and development of SunPy.</p> <p><br>(Presented at AAS SPD 2012 Meeting in Anchorage, AK)</p