From owner-chemistry@ccl.net Sat Jul 31 14:40:01 2010 From: "Venable, Richard (NIH/NHLBI) E venabler(0)nhlbi.nih.gov" To: CCL Subject: CCL: Request for Deuterium Order parameters of ETHER LIPIDS.. Message-Id: <-42395-100731143703-27161-+gA8Eam0qFCSFnFgsNmH1Q-*-server.ccl.net> X-Original-From: "Venable, Richard (NIH/NHLBI) [E]" Content-Language: en Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="iso-8859-1" Date: Sat, 31 Jul 2010 14:36:52 -0400 MIME-Version: 1.0 Sent to CCL by: "Venable, Richard (NIH/NHLBI) [E]" [venabler#,#nhlbi.nih.gov] The work of Joachim and Anna Seelig starting in the 1970's is often considered one of the most significant collections of 2H NMR measurements on lipids. Their early work included a chemical synthesis tour de force in placing deuterium at specific chain positions in order to validate the signal assignments. You should definitely include the author name of Seelig in literatures searches for lipid order parameters. -- Rick Venable 5635 FL/T906 Membrane Biophysics Section NIH/NHLBI Lab. of Computational Biology Bethesda, MD 20892-9314 U.S.A. On 7/30/10 8:37 PM, "Barry Hardy barry.hardy*o*vtxmail.ch" wrote: Sent to CCL by: David Mannock [dmannock-.-ualberta.ca] Sergio, Look at some of Harold Jarrell's papers in the 1980s. He did a lot of glycolipid 2H-NMR, but will have cited PL work. You should be able to trace the references back and forward through their citations. David Mannock On 7/30/2010 6:20 AM, Alberto Sergio Garay sgaray===fbcb.unl.edu.ar wrote: > Sent to CCL by: Alberto Sergio Garay [sgaray^^^fbcb.unl.edu.ar] > > I'm looking for Deuterium Order parameters of Ether lipids' tails but > without success. I need it in order to test some of my Molecular > Dynamics simulations of DHPC (Dihexadecyl-Phosphatidylcholine). > > Please, if someone know about some papers (or experimental values not > published) where some of this parameters are shown, I would very > appreciate this help. > > Sergio From owner-chemistry@ccl.net Sat Jul 31 19:04:01 2010 From: "David A Mannock dmannock{=}ualberta.ca" To: CCL Subject: CCL: Java script Bio-log moldiam alternative Message-Id: <-42396-100731172220-21114-Gzu8soePLJnvShIiu/AS6g**server.ccl.net> X-Original-From: "David A Mannock" Date: Sat, 31 Jul 2010 17:22:18 -0400 Sent to CCL by: "David A Mannock" [dmannock . ualberta.ca] Hi! There was a nice little javascript program called MolDiam, which calculated the length and max/min diameters of a molecule from a pdb file input. But today Bio-log went out of business and the script is gone. The script used vector math to create slices along the length of the molecule to generate this info from previously minimized structures. Despite searching, I have not found a similar alternative. I am looking for a one button solution, if I can get one. I am not a math-nut, so vector math in Mathematica V28.0 is not an option. I work locally on WinXP, but have my own RHEL 5.3 server. If someone can help with this I would appreciate it, as I have several manuscripts in process which can use simple data like this for comparative purposes. Thanks, David Mannock