Eindhoven University of Technology

Software and Internet Tools for Continual Education in Analytical Chemistry

Jetse C. Reijenga

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

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?

Equipment Theory(technique)

Application (=solve problem)

Experience

techniques applications

How much experience do you have?

Use of ICT, what is needed

• Background knowledge• Time (=money…)• Competence (English language skills)• Facilities

• hardware• software• internet connection

What can ICT offer:

• Communication• Access

• Data (data bases)• Literature• Simulation software

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

Analytical literature on CD-ROM

22899

ACCESS to:

CE literature data base

d.perret@mds.qmw.qc.uk

6628

Buffer Workshop

mbello@zarak.com

MECC migration index prediction

From: Yasushi Ishihama et al, Anal. Chem. 68(1996) 1028-1032

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)

Comparison of two logP estimators

Estimation software for pKa values

title

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)

Netlogo 2.0

Wingz

ACD

GC and LC

DryLab

title

Peakmaster 5.0

title

Cesar

CESight

title

title

title

title

Database

Virtual lab of anal. separation techniques

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

title

CZE/ITP

Simul 4.0

gas@mail.natur.cuni.cz

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