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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>Dear RASMB, <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>Thanks to all who responded. I can confirm that SEDNTERP version 1.09 run under virtual windows in xp mode results in the expected calculation for s20w. Providing the program with the same inputs reported in my initial posting and using the s*=16.39, SEDNTERP version 1.09 does return a value of 17.4s for s20w, consistent with the SEDANAL and SEDFIT analysis.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>Thank you John, David and Lake for your input.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>Best regards<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>John Sumida<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>Analytical Biopharmacy Core<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'>University of Washington.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt;color:blue'><o:p> </o:p></span></p><div><div style='border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> John Philo [mailto:jphilo@mailway.com] <br><b>Sent:</b> Friday, August 09, 2013 12:04 PM<br><b>To:</b> 'John Sumida'; drdavidbhayes@yahoo.com<br><b>Cc:</b> rasmb@rasmb.org<br><b>Subject:</b> RE: [RASMB] s20w calculation<o:p></o:p></span></p></div></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>John, unfortunately I think David is correct that SEDNTERP 2 has some bugs. I didn't reproduce your results, but in my case after entering the correct vbar, density and viscosity it is always returning identical values for s* and s(20,w). That is, it seems to be paying no attention to the new values I entered on the solvent and sample page and still using the default water values. I suspect this is an order of entry problem.</span><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>Using SEDNTERP</span><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> </span><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>1.09 and entering your values I get that s* = 16.39 corresponds to s(20,w) = 17.397. FYI if you are running Windows 7 you can run SEDNTERP 1.09 under the Windows XP virtual machine.</span><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p><div><p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p></div><div><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif";color:blue'>John</span><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p></div><p class=MsoNormal><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'> <o:p></o:p></span></p><div class=MsoNormal align=center style='text-align:center'><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><hr size=2 width="100%" align=center></span></div><p class=MsoNormal style='margin-bottom:12.0pt'><b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> <a href="mailto:rasmb-bounces@list.rasmb.org">rasmb-bounces@list.rasmb.org</a> [<a href="mailto:rasmb-bounces@list.rasmb.org">mailto:rasmb-bounces@list.rasmb.org</a>] <b>On Behalf Of </b>John Sumida<br><b>Sent:</b> Friday, August 09, 2013 10:44 AM<br><b>To:</b> <a href="mailto:drdavidbhayes@yahoo.com">drdavidbhayes@yahoo.com</a><br><b>Cc:</b> <a href="mailto:rasmb@rasmb.org">rasmb@rasmb.org</a><br><b>Subject:</b> Re: [RASMB] s20w calculation</span><span style='font-size:12.0pt;font-family:"Times New Roman","serif"'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>Hi David,<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>Thanks for taking the time to respond. I’m attempting to respond to your post. Apologies if I’m committing some type of etiquette violation in responding to the group, but as you requested some clarification as to my process I thought to respond publicly.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>To answer your questions.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>I’ve been trying to understand why this particular polymer material produces a large s20w value when another material with different surface charge properties produces an s20w of 7.9s and sediments very differently.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>So the back calculation, going from s20w to s*, was me playing with the data to see if I could go from the 17.3 s20w back to s* which I would have hoped – as you point out – would not have been much different from 17.3s.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>My initial calculation using the s20w correction equation (equation 19) was comforting in that the calculated s* was 16.4s. I used SEDFIT to perform the same calculation just to check that all was in order – and as I stated SEDFIT returned the 16.4s value as had the calculation and the analysis in SEDANAL. Note that vbar and solvent parameters had been entered in into the experiment file and gOfs files had been generated by running DCDT. So I believe the s values returned in SEDNAL are s20w values.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>The problem arose when I used the Experiment page in SEDNTERP (version 20120828 BETA). Using the calculated value of s*, SEDNTERP did not return the same value for s20w that SEDANAL output. <o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>I also attempted the same operation using the web version of SEDNTERP which resulted in the same result, namely calculating an s20w of 27.8s when the experimentally observed s20w was17.3s.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>I had not thought to turn off the s20w calculation (in order to do so do I just remove vbar from the experiment info?) and attempt to fit for s*. Will try that next.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>Best regards,<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>John Sumida, Ph.D.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><a href="http://depts.washington.edu/cidb4bio/index.shtml"><span style='color:windowtext'>Analytical Biopharmacy Core Facility</span></a><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>University of Washington<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'><a href="http://www.moles.washington.edu/"><span style='color:windowtext'>Molecular Engineering & Sciences Institute, G22</span></a><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>3946 West Stevens Way NE<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:14.0pt'>Seattle WA 98195-1653<o:p></o:p></span></p></div></body></html>