eindhoven university of technology software and internet tools for continual education in analytical...
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Eindhoven University of Technology
Software and Internet Tools for Continual Education in Analytical Chemistry
Jetse C. Reijenga
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You• An asset to a company profile• Contributing to a company's profit• Solving today's (and tomorrow's) problems• And deliver the results……yesterday
Me• associate professor (anal. chem.)• more-or-less basic research• solving largely academic problems• now mainly educational activities
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Why Continuing Education• 5 years in playing• 10 years of learning• 5 years of studying• 40 years of working• 25 years of retirement
Questions:• Science advances rapidly…..do you?• Is continuing education part of your job?• Ever heard of natural curiosity?• How does an intellectual retire?
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Equipment Theory(technique)
Application (=solve problem)
Experience
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techniques applications
How much experience do you have?
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Use of ICT, what is needed
• Background knowledge• Time (=money…)• Competence (English language skills)• Facilities
• hardware• software• internet connection
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What can ICT offer:
• Communication• Access
• Data (data bases)• Literature• Simulation software
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Communication tools
• use webspace to provide info• use e-mail or group-mail• chat session• discussion-web• Netmeeting• Moodle-group• e-mail lists
Consider application- or technique oriented
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Analytical literature on CD-ROM
22899
ACCESS to:
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MECC migration index prediction
From: Yasushi Ishihama et al, Anal. Chem. 68(1996) 1028-1032
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logP (octanol/water) sources• Experimental values (literature) • Website (http://esc.syrres.com/interkow)
Software:• ACD/logP (ACD/Labs)• CLOGP (BioByte)• KOWWIN (Syracuse)• SciLogP (SciVision)• AccuLogP (Microsimulations)• ProLogP (CompuDrug)
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Comparison of two logP estimators
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Estimation software for pKa values
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Different instrument “simulators”
• Interactive demo’s (Netlogo, Wingz, .....)• Separaration Optimizers (ACD, Drylab, .....)• Steady-state Simulators (Gaš, Reijenga, ....)
• detector signal (s vs. t)• Dynamic Simulators (Gaš, Reijenga, ....)
• microscale, local distribution (c vs. x)
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Netlogo 2.0
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Wingz
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ACD
GC and LC
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DryLab
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Peakmaster 5.0
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Cesar
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CESight
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Database
Virtual lab of anal. separation techniques
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ProteinLab
• heat treatment• ammonium Sulphate fractionation• gel filtration• ion exchange chromatography• hydrophobic interaction chromatography• preparative isoelectric focusing• affinity chromatography
1D and 2D PAGE for purity check
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CZE/ITP
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Interesting weblinks.......................
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