Training Material for FOCUS Kinetics：重点培训材料的动力学

1、.Training Material for FOCUS KineticsTwo training courses have been conducted by the FOCUS Work Group on Degradation Kinetics. One course occurred in Jan. 2005 in Brussels and was a two day session for representatives of the EU member states. The other course was given in Washington in January 2006

2、and consisted of a session for the U.S. EPA and Canadian PMRA and the next day a session for industry scientists. All training sessions were split into about equal periods of hand-on sessions and lectures. The main difference between the two courses was the length of the course and the model used as

3、 an example. In the course in Brussels ModelMaker and an Excel spreadsheet was used and quite a bit of time was used to introduce the participants to the use of both of these software tools, resulting in a two day course. In the course in Washington only one day was available for each session so the

4、 training course only used the software tool KinGUI recently developed by industry which included the needed functions of both ModelMaker and the Excel spreadsheet into a single software package. Some topics such as harmonisation of data from field studies and reporting were also not covered in Wash

5、ington.In order to fully utilize the training material you will need to obtain a copy of the software used for the training exercises. ModelMaker is available commercially as described in the final report of the FOCUS Work Group on Degradation Kinetics (available on this website), the Excel spreadsh

6、eet is available on this website, and KinGUI is available free of charge from Dieter Schafer at dieter.schaefer. Please note that FOCUS does not endorse either ModelMaker or KinGUI. The recommendations of the work group are independent of specific software packages. The training material also includ

7、es spreadsheets developed by the work group. While these spreadsheets are similar or identical to the official versions available in the software section of the web site, the spreadsheets in the training material should be used only for training since they will not be updated as changes are made to

8、the official versions. The official versions of the spreadsheets should be used for all regulatory applications.Training Materials from Brussels Training Session, January 2005Required software for practical exercises: ModelMaker and Excel Spreadsheet1.1 Introduction (Jos Boesten)Presentation: link t

9、o file 1_1 Introduction.ppt1.2 Remit (Russell Jones)Presentation: link to file 1_2 Remit.ppt1.3 Regulatory uses of degradation endpoints (Sylvia Karlsson)Presentation: link to file 1.3 regulatory use.ppt1.4 Kinetic Models (Guy Soulas)Presentation: link to file 1.4 kin_models(rev2).ppt1.5 Data Handli

10、ng (Sabine Beulke)Presentation: link to file 1_5_Data handling.pptExcel Worksheet required for practical exercises: normal link to 1_5_Parent degradation kinetics_training_21Jan05.xlsunprotected link to 1_5_Data handling_Parent degradation kinetics_1.0_unprotecte.xlsuse instructions link to User gui

11、dance_FOCUS parent degradation kinetics_Version 1.0.docPractical Exercise: 1_5_Data handling_practical.docSolutions to Practical Exercises: 1_5_Data handling_practical_solutions.doc1.6 Introduction to ModelMaker (Sabine Beulke)Presentation: link to file 1_6_1 Introduction to ModelMaker.pptPractical

12、Exercises:Model construction: link to 1_6_2_parent_practical_model_construction.docCurve fitting and parameter estimation for example 1: Link to 1_6_3_Parent_practical_fitting_example1.docCurve fitting and parameter estimation for example 2: Link to 1_6_4_Parent_practical_fitting_example2.docSolutio

13、ns to Practical Exercises: Curve fitting and parameter estimation for example 1: Link to 1_6_3_Parent_practical_fitting_example1_solution.docCurve fitting and parameter estimation for example 2: Link to 1_6_4_Parent_practical_fitting_example2_solution.docElectronic Files for Practical Exercises: Mod

14、el construction: link to parent_only.modSpreadsheet for Calculating DT50 and DT90 for DFOP kinetics: link to 1_6_DFOP_DT50.xls 1.7 Normalisation of Field Half-Lives (Ian Hardy)Presentation: link to file 1.7 Normalization of Field Half-Lives.ppt1.8 Parameter Optimisation (Sabine Beulke)Presentation:

15、link to file 1_8_Parameter optimisation.ppt1.9 Adjustments for Software Settings (Jeremy Dyson)Presentation: link to file 1.9 software adjustment.ppt1.10 Recommended Procedures for Deriving Endpoints for Parent Compounds (Ralph Warren)Presentation: link to file 1_10_Chapter_7_presentation.ppt1.11 Pr

16、actical Exercises for Deriving Endpoints for Parent Compounds (Ralph Warren)Presentation and Exercises: link to file 1_11_Chapter_7_practical.pptSolutions to Practical Exercises: link to file 1_11_Chapter_7_practical_answers.pptExcel Spreadsheets required:1_11_DFOP_DT50.xls: link1_11_Parent degradat

17、ion kinetics_training_21Jan05.xls: link1_11_t-test.xls: link2.1 Theory for Metabolites (Karin Aden)Presentation: link to file 2_1_Theory Metabolites.ppt2.2 Fitting of Metabolites (Claude Beigel) An error in the input data for Metabolite 2 of Example 1 in the Brussels session has been corrected.Prese

18、ntation and Exercises: link to file 2.2_metabolite curve fitting.pptInput Data: link to 2.2_metabolites examples input.xlsElectronic Files for Practical Exercises: Example 1: Parent: link to 2.2_Example 1_parent.modIndividual rates: link to 2.2_Example 1_individual rates.modExample 2: Parent FOMC: l

19、ink to 2.2_Example 2_parentFOMC.modParent DFOP: link to 2.2_Example 2_parentDFOP.mod2.3 Goodness of Fit for Metabolites (Claude Beigel)Presentation and Exercises: link to file 2.3_metabolite goodness of fit.pptInput Data: link to 2.2_metabolites examples input.xlsElectronic Files for Practical Exerc

20、ises: Excel Spreadsheets required:2.3_metabolites examples output.xls: link2_3_Parent degradation kinetics_training_21Jan05.xls: link2.3_t-test.xls: link2.4 Results of Metabolite Practical Exercises (Claude Beigel)Presentation: link to file 2.4_metabolite results.pptDetailed Results:2.4_Example 1_P&

21、amp;M1_output&residuals.xls: link2.4_Example 1_P&M1&M2_output&residuals.xls: link2.4_Example 2_metabolitedecline_output&residuals.xls: link2.4_Example 2_parentFOMC_output&residuals.xls: link2.4_Example 2_parentDFOP_output&residuals.xls: linkElectronic Files for Practical

22、Exercises: 2.4_Example 1_parent&metabolite1.mod: link2.4_Example 1_parent&metabolite1&metabolite2.mod: link2.4_Example 2_metabolitedecline.mod: link2.4_Example 2_parentFOMC_metaboliteSFO.mod: link2.4_Example 2_parentDFOP_metaboliteSFO.mod: link2.5 Fitting with Berkeley Madonna (Ton van d

23、er Linden)Presentation: link to file 2.5_Demonstration of fitting with Berkeley Madonna_1.ppt2.6 Fitting with MATLAB (Dieter Schäfer)Presentation: link to file 2_6_MATLAB.ppt2.7 Reporting Guidelines (Ton van der Linden)Presentation: link to file 2.7_degkin-reporting.ppt2.8 Water-sediment Studie

24、s (Jeremy Dyson)Presentation: link to file 2.8 water-sediment studies.pptTraining Materials from Washington Training Session, January 2006Required software for practical exercises: KinGUI01 Introduction (Jos Boesten)Presentation: link to file 01-intro EPA 2006.ppt02 Remit (Russell Jones)Presentation

25、: link to 02-workgroupremit.ppt03 Kinetic Models (Jeremy Dyson)Presentation: link to file 03-Kinetic Models.ppt04 Parameter Optimisation (Sabine Beulke)Presentation: link to file 04-Parameter optimisation.ppt05 Introduction to KinGUI software (Dieter Schäfer)Presentation: link to file 05-KinGUI

26、softwaretool.ppt06 Data Handling (Sabine Beulke)Presentation: link to file 06-Data handling.pptPractical Exercises: link to file Data handling_practical.docSolutions to Practical Exercises: link to file Data handling_practical_solutions.docData files:handling.txt: link no_outliers.txt: link08 Recommended Procedures for Deriving Endpoints for Parent Compounds (Ralph Warren)Presentation: link to file 08-Parent fitting presentation RLW.ppt