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The Synthesis of anti-malarial compounds using  Open Notebook Science Jean-Claude Bradley Oct 10, 2008 Drexel MiniSymposium Associate Professor of Chemistry Drexel University
Motivation:  Faster Science,   Better Science
Malaria Target: falcipain-2  involved in hemoglobin metabolism Dana.org
UsefulChem Project:  Open Primary Research in Drug Design using Web2.0 tools Docking Synthesis Testing Rajarshi Guha Indiana U JC Bradley Drexel U Phil Rosenthal UCSF (malaria) Dan Zaharevitz NCI (tumors) Tsu-Soo Tan Nanyang Inst.
BLOG WIKI Mailing List GoogleDocs Architecture: Distributed, Interlinked and Redundant   ChemSpider CDD FriendFeed Nature Precedings JoVE
Where’s the Beef?
Link to Lab Notebook Page in Wiki
Link to Molecules
Link to Docking Procedure  (Rajarshi Guha)
Link to Docking Results:  Lists of SMILES in GoogleDocs  (Rajarshi Guha)
Link to Raw Data with JSpecView (data in JCAMP-DX format) (by Robert Lancashire)
Conclusion is Fully Supported
How did this experiment evolve? Third party timestamp
Comparing wiki page versions
Comparing Experiments Ugi Master Table
[object Object],[object Object],[object Object],Reaction to Optimize
Mettler-Toledo MiniBlock System
Mettler-Toledo MiniMapper
XML reports from MiniMapper robot
GoogleDoc to program and report
Paper written on Wiki
References to papers, blog posts, lab notebook pages, raw data
Paper on Journal of Visualized Experiments (JoVE)
Pre-print on Nature Precedings
Best Yield: 66% 0.4 M methanol 1.2 eq imine
Methanol 0.4M xs of imine best
Outcome of Guha-Bradley-Rosenthal collboration
Measuring Solubilities in Southampton with Cameron Neylon Sept 3, 2008 usefulchem.wikispaces.com/exp207
Investigating solubilities in organic solvents Boc-glycine vanillin glucose NaCl
The Results in a GoogleDoc reliable unreliable
 
Acknowledgements ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

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Open Notebook Science in 15 minutes