Fitting data from differential scanning calorimetry to the Lumry-Eryring equation

Differential scanning calorimetry instruments produce (x,y) datasets where x = temperature (T) and y = heat capacity (Cp).

Instrument manufacturers typically provide software capable of processing data for transitions that are thermodynamically reversible but may not provide functions for thermodynamically irreversible transitions, such as the reversible unfolding followed by irreversible aggregation of large proteins. These irreversible non-two step processes may be evaluated using the Lumry-Eyring equation (see: Eqn (2), Piatek et al Biochem 48:11807-16, 2009 http://pubs.acs.org/doi/pdf/10.1021/bi900920k).

Which MATLAB products are needed to fit data to the Lumry-Eyring equation? Is the Curve Fitting Toolbox alone capable or are additional MATLAB modules required?

Answer 1

[Richard Willey]

Hi William

I did a quick Internet search on "Lumry-Eyring". I found a lot of references to kinetic models. While the curves look pretty simply, I expect that there are some ODEs under the hood.

Optimization Toolbox is probably your best bet. Optimization Toolbox gives you fine grained control over the entire process. This will really come in handy if you need to link curve fitting to some kind of simulation.

regards,

Richard

[William Tolleson]

Thanks, Richard. I appreciate your advice. Do you think that I will need Optimization Toolbox only or will I need that plus Curve Fitting Toolbox also?

Answer 2

[Richard Willey]

Much as I love Curve Fitting Toolbox, I think that this is a case where Optimization Tbx will suffice....