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Optimization of the Ugi reaction using parallel synthesis and automated liquid handling Jean-Claude Bradley Sept 23, 2008 Mettler-Toledo Webinar E-Learning Coordinator  College of Arts and Sciences Associate Professor of Chemistry Drexel University
Open and Closed Science  Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook  Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures Notes public Assigned problems public Archived Lectures Public and free online textbooks RESEARCH TEACHING
Motivations for ONS  ,[object Object],[object Object]
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
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 But… what are the trends?
At 0.2 Molar
At 0.2 Molar – complex solvent and reagent excess effects
Methanol 0.4M xs of imine best
Conclusions ,[object Object],[object Object],[object Object],[object Object]
Acknowledgements ,[object Object],[object Object],[object Object],[object Object],[object Object]

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Optimization of the Ugi reaction using parallel synthesis and automated liquid handling