Presentazione di PowerPoint - CNR

Presentazione di PowerPoint - CNR

AQUACHEM Transition Metal Chemistry and Catalysis in Aqueous Media Project MRTN-CT-2003-503864 3rd Year Meeting UD Debrecen, Hungary 12 - 13 January 2007 Transition Metal Chemistry and Catalysis in Aqueous Media York Firenze Nuernberg Erlangen Toulouse Lisbon Debrecen Jerusalem Barcelona Almeria Moscow AQUACHEM Young Researchers 2004 - 2005 Participant 1. [CNR-ICCOM] 2. [CNRS-LCC/a] 2. [CNRS-LCC/b] 3. [UD] 4. [HUJI] 5. [UAB] 6. [YoK] 7. [UEN] 8. [IST] 9. [UAL] 10. [INEOS] Total ESR (Early stage researchers;

person-months) ER (Experienced researchers; person-months) ESR (Early stage researchers; person-months) ER (Experienced researchers; person-months) Consumed Expected Consumed Expected Expected till to the end of the project Expected till to the end of the project 0 16 14 0 0 0 0 13 14 16 0 73 0 16 16 (-2) 0 0

0 0 18 (-5) 24 (-10) 15 (+1) 0 89 (-16) 12 0 0 6 6 12 15 0 0 0 0 51 12 0* 10 (-10) 18 (-12) 6 12 18 (-3) 0 9 (-9) 0 0 85 (-34) 18 13* 16 0 0 0 0 11 22 17 0 97 0 0*

11** 30 18 12 3 12 9 10 0 105 * 6 ER months have been transformed in 5 ESR months by LCC/a; ** The residual month for LCC will be transferred from LCC/a to LCC/b AQUACHEM Young Researchers 2004 - 2006 Participant Contract deliverable of Young Researchers to be financed by the contract (person- months) Young Researchers financed by the contract so far (person-months) ESR (a) ER (b) Total (a+b) ESR ( c) ER (d) Total (c+d) 18 12 30 8 12 20

63a,d 11a 74d 28 11 39 26 0 26 3. [UD] 0 36 36 0 21 21 4. [HUJI] 0 24 24 0 18 18 5. [UAB] 0

24 24 0 19 19 6. [YoK] 0 18 18 0 18 18 7. [UEN] 13d 16d 29d 13 6 19 8. [IST] 36 9 45 19

0 19 9. [UAL] 33 10 43 32 0 32 10. [INEOS] 0 0 0 0 0 0 163b,d 160c 323 126 105 231 1. [CNR] 2. [CNRS] (a) 2. [CNRS] (b) TOTAL

AQUACHEM Young Researchers 2006 new Paolo Sgarbossa ESR 1/3/06 31/7/06 Katrin Gruenwald ESR 1/12/06 31/5/07 Andrey Chernadyev ER 26/6/06 25/6/07 Ines Mallqui ESR 1/5/06 30/10/07 Malgorzata Brindell ER 15/7/06 14/11/07 Guoying Zhao ER 1/7/06 30/06/07 Ambroz Almassy ER 1/10/06 30/09/07 Emma Petersen ESR 1/2/06 31/1/07 M. Mar Tristany ER 1/1/06 30/11/06

Gabor Kovacs ER 1/6/06 31/5/07 AQUACHEM Young Researchers 2006 continuing Paul Servin ESR 1/11/04 31/8/07 Chiara Dinoi ESR 1/9/04 14/1/07 Petr Prikhodcenko ER 22/6/05 21/6/06 Wojciech Woitkow ER 1/7/05 30/6/06 Nicole Reddig ER 1/9/04 28/02/06 Ines Mallqui ESR 1/7/04 30/4/06 AQUACHEM Young Researchers 2007 planned Laurent Benisvy ER 1/1/07 30/9/07 Chiara Dinoi ESR 16/2/07

15/8/07 Riccardo Wanke ESR 1/1/07 30/6/07 Rugiada Girotti ER 1/2/07 30/11/07 Last but not least These complete the YS quotas for all partners! Contract Boundaries Aim to select at least 40% women (Annex III.2.1b). 12 F, 9 M: ok. Maximum 30% of total person-months provided by researchers from Third Countries, higher in exceptional cases only (Annex III.2.1a). Visits/secondments to other contractors of appointed researchers to within 30% of their total appointment time, otherwise new appointment (Annex III.3.2i). Contract Boundaries Maximum 30% of total person-months provided by researchers from Third Countries So far 88 man-months, less than 30% OK! Ines Mallqui (Peru) will complete her joint PhD between UAL and CNR HUJI has recruited a second Russian ER (Dr A. Chernadyev) UD has recruited a Chinese ER (Dr G. Zhao) Previous: Landaeta (CNR, 12m); Karabach (IST, 6m), Prikodchenko (HUJI, 12m) Person-months and budget redistribution was needed! AQUACHEM Young Researchers Secondment Activity 2006 N. Reddig YoK HUJI

07-24/2/2006 Electrochemistry and ESI-MS W. Wojtkow UD UAL 18/4-18/5/2006 Study of catalytic applications of new water soluble ruthenium complexes C. Dinoi CNRSLCC/b HUJI 1/7-1/8/2006 Electrochemical and CV studies on Cp*Mo and Cp*W species P. Servin CNRSLCC/a IST 17/6-16/7/2006 Grafting of scorpionates on dendrimers P. Sgarbossa IST UAL 1-12/8/2006 Synthesis of amino acids derivatives of diphenylphosphine P. Servin

CNRSLCC/a UAL 11/11-10/12/2006 Synthesis of P,N dendritic ligands M. Tristany CNRSLCC/a UD 12/11-10/12/2006 Attempted hydrogenation of liposomes with dendritic catalysts I. Mallqui CNR UAL 1/12/06-31/1/2007 Synthesis of modified Cp ligands AQUACHEM Scientific Objectives Objective 1: The design, synthesis and characterization of new hydrosoluble ligands The study of their co-ordination chemistry with metals of catalytic relevance Objective 2: The design, synthesis and characterization of organometallic compounds with aqua, hydroxo, and oxo ligands Objective 3: Substrate activation and stoichiometric reactivity. reactivity Activation of inorganic substrates such as water, dioxygen, dihydrogen, carbon and sulphur oxides, bicarbonate and carbonate, phosphorus, organic substrates (alkynes, alkenes, alcohols, thiols, nitriles,) etc. Activation of C-F, C-C and C-Heteroelement bonds

Objective 4: Physico-chemical studies of complex-solvent interactions Objective 5: The development or improvement of analytical instrumentation Objective 6: Theoretical studies, studies by ab initio and/or density functional methods, in parallel with the experimental studies Objective 7: Catalytic studies in aqueous or biphasic media at different pH Objective 8: Objective 9: Electrocatalytic studies in aqueous/biphasic media Photochemistry and photocatalysis in aqueous/biphasic media including solarinduced reactions. ? AQUACHEM TASKS Task 1: Hydrosoluble ligands and their complexes Task 2: High oxidation state organometallic aqua ions Task 3: Solvent-complex interactions Task 4: Speciation studies Task 5: Substrate activation and mechanistic studies Task 6: Catalysis, photocatalysis and electrocatalysis in water and biphasic media Major milestones left over (for 2004-2005) 24 months 17 Scientific Management/Training A working prototype of an on-line capillary photoreactor coupled on line to an electrospray mass spectrometer (T4,T5) Full thermodynamics of solventcomplex interaction for one catalytically active complex (T3) At least two solar-induced processes developed on the microscale reactor (T6) At least 181 person-months At least 15 months of secondment activities Major milestones for years 2004-2006 (as from Annex I) 36 months

Scientific Management/Training At least 4 second generation hydrosoluble ligands (T1) OK? At least 10 coordination compounds with the second generation ligands (T1,T2) OK? In situ studies of the catalytic activity of one electrocatalyst with respect to several key reactants (T6) OK? Mechanistic study of at least 5 stoichiometric and catalytic processes in water or biphasic systems (T5) OK? At least one reaction promoted by solar energy studied by the solar flow reactor (T6) OK? A working prototype of an on-line electrochemistry - electrospray mass spectrometer equipped with intermediate separation step (T4, T6) OK? At least 12 submitted joint papers 11 At least 1 joint patent (all Tasks) OK At least 285 person-months 231 At least 23 months of secondment activities 14 Language courses attended OK 3rd-year Network meeting OK At least 12 presentations of joint results by the trained researchers at other international meetings: 7/13 AQUACHEM Collaboration network Joint Publications Annex I: At least 12 submitted joint papers [A1] (CNR-UAL) Organometallics 2004, 23, 2020 (Article) [A2] (CNR-UAL) J. Mol. Catal. A: Chem. 2004, 224, 61 (Article) [A3]

(CNRSLCC/b-IST) Organometallics 2005, 24, 2582-2589. (Article) [A4] (UAL-CNR) Angew. Chem. Int. Ed. 2005, 44, 2568 (Communication) [A5] (UD-UAB) Organometallics 2006, 25, 862-872 (Article) [A6] (UAL-CNR) Inorg. Chem. 2006, 45, 1289 - 1298 (Article) [A7] (INEOS-UAB) Inorg. Chem. 2006, 45, 3086-3096 (Article) [A8] (UAB-UD) Organometallics 2006, 25, 5010 - 5023. (Article) [A9] (INEOS-UAB) J. Am. Chem. Soc. 2006, 128, 3486-3487 (Communication) [A10] (HUJI-CNR-UAL) J. Electrochem Soc. 2007, 154, F7-F15 (Article) [A11] (CNRSLCC/a-CNR) Tetrahedron Lett. 2007, 48, 579-583 (Article) AQUACHEM Collaboration Network 2005 Joo Lev/Gun van Eldik Lledos Caminade Shubina Perutz Romerosa

Pombeiro Poli Peruzzini Direct costs Adjustment s to previous period(s) Total costs 21074,24 1988,25 0 0 0 Of which subcontrac ting Indirect costs Third Party(ies) Contractor Third Party(ies) Contractor Third Party(ies) Total Other Types of eligible expenses Management and Audit certification Research Training/ transfer of knowledge

Participation of the eligible researchers Career Exploratory Mobility Travel Living Activities carried out by the researchers Contractor Third Party(ies) Contractor Third Party(ies) Contractor Third Party(ies) Contractor Third Party(ies) Contractor Third Party(ies) Contractor Third Party(ies) Contractor Administrative and financial details Cost declarations old Form C Activities of the host 0 0 534,94 23597,43 0

0 0 0 4041,32 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27638,75 Administrative and financial details 2007 The procedure for submission requires that each scientist in charge fills in form C directly into SESAM. This SESAM form C report completely replaces the Excel based Form C Model of Financial Statement per Activity for Marie Curie Actions (multi-contractor version) which should no longer be sent by mail to the EC. Once the report has been submitted in SESAM by the scientist in charge, the coordinator of the Network will be able to access it via SESAM. However, please note that there is no automatic notification about submission of the reports. Therefore each scientist in charge should alert the coordinator when this is done FP6 IT System Start Screen QUEST module: main Menu FP6 FP6 IT IT System System Training Access Management module

Definition Actions Register as a new user The external user (Coordinator or Participant) can register himself as a new user for the QUEST reporting module Change password after confirmation e-mail Reset the password if password has been forgotten Update personal information Register participation as a new project Participant FP6 IT System Coordinator or Participant registers himself as a new user Click on ACCESS MANAGEMENT menu: Register as a new user (1) Administrative and financial details Cost structure Costs related to the recruited researcher A B C D E Living Allowance: Application of reference rates Travel allowance: Based upon the distance between the location of origin and the contractors premises Mobility allowance: 500 or 800 (depending on family situation at the time of appointment). Career exploratory allowance: 2000 (only for appointments >1year) Participation expenses of the researcher: Upon actual costs

(up to 400/person-month) for participation in conferences, meetings, secondments, etc. At least 65% of the Community contribution must be spent on cost categories A, B, C, D and E Administrative and financial details Cost structure Costs related to the host organisation F Costs related to project: Participation expenses for members of contractors team to training and networking activities, consumables, maintenance of website, material exchange, subcontracts.. EC prior agreement required for any travel to/from a third country G Management costs: up to 7% of total costs H Overheads: 10% of (direct costs subcontracting) I Other costs: if justified, durable equipment (ECs prior agreement: NOT APPLICABLE to our contract) Administrative and financial details Financial reporting and payments Payments (to the co-ordinator) Periodic Payments within 45 days after approval of the respective reports Final payment within 45 days after approval of the respective reports Note: Only payments accompanied by an audit certificate are considered as final Administrative and financial details BUDGET DIVISION (%) Budget division (Complete Project) (%) IST 10% UAL INEOS CNR 10% 0% 11% CNRS 23% UEN 10% YoK

8% UAB 9% HUJI 9% UD 10% CNR CNRS UD HUJI UAB YoK UEN IST UAL INEOS 213884 419180 198904 175001 179267 156780 184072 184789 187116 0 Administrative and financial details BUDGET CNR CNRS UD HUJI UAB YoK UEN IST UAL INEOS 1st year contribution 2nd year contribution 3rd year contribution 4th year contribution 51375,4

61292,4 42134,24 59081,98 90717,74 160210 133690,78 34561,11 29386 72316 70134 27068 5760 46000 79423 43818 44458,1 81186,2 44276,1 9347,1 51536,5 89887 8368 6989 27346,93 43029,85 68374,33 45321,4 43638,53 87733,68 43002,53 10415 16018,32 41644,28 80463,38 48990,7 0 0 0 0 360237,52 683299,41 569866,36 285592,29 Total 213884,02 419179,63 198904 175001

179267,5 156780,5 184072,51 184789,74 187116,68 0 1898995,58 CNR CNRS UD HUJI UAB YoK UEN IST UAL INEOS 1st year contribution 2nd year contribution 3rd year contribution 4th year contribution 51375,4 61292,4 42134,24 59081,98 90717,74 160210 133690,78 34561,11 29386 72316 70134 27068 5760 46000 79423 43818 44458,1 81186,2 44276,1 9347,1 51536,5 89887 8368 6989 27346,93 43029,85 68374,33 45321,4 43638,53

87733,68 43002,53 10415 16018,32 41644,28 80463,38 48990,7 0 0 0 0 360237,52 683299,41 569866,36 285592,29 Total 213884,02 419179,63 198904 175001 179267,5 156780,5 184072,51 184789,74 187116,68 0 1898995,58 Prefinancing 1st year (A) 1st intermediate payment Contribution years 1 and 2 (A) Accepted costs year 1 65617,28 106037,31 40420,03 40169,73 136658,19 208014,21 71356,02 26409,98 52435,20 85886,36 33451,16 0,00 23008,00 69469,16 46461,16 920,00 68040,96

94105,69 26064,73 11466,33 77184,00 97424,76 20240,76 22188,00 39089,48 79930,08 40840,60 18176,51 70004,30 99595,74 29591,44 12227,82 29472,37 93672,35 64199,98 28191,61 0,00 0,00 0,00 0,00 934135,65 561509,78 372625,87 159749,98 Accepted costs years 1+2 (B) 90555,30 130812,07 26825,51 41549,00 71831,03 97490,55 36243,44 42783,47 38690,06 0,00 576780,43 Unused budget (A - B) 15482,01 77202,14 59060,85 27920,16 22274,66 -65,79 43686,64 56812,27

54982,29 0,00 357355,22 Accepted costs year 2 50385,57 104402,09 26825,51 40629,00 60364,70 75302,55 18066,93 30555,65 10498,45 0,00 417030,45 BUDGET CNR CNRS UD HUJI UAB YoK UEN IST UAL INEOS 1st year contribution 2nd year contribution 3rd year contribution 4th year contribution 51375,4 61292,4 42134,24 59081,98 90717,74 160210 133690,78 34561,11 29386 72316 70134 27068 5760 46000 79423 43818 44458,1 81186,2 44276,1

9347,1 51536,5 89887 8368 6989 27346,93 43029,85 68374,33 45321,4 43638,53 87733,68 43002,53 10415 16018,32 41644,28 80463,38 48990,7 0 0 0 0 360237,52 683299,41 569866,36 285592,29 Total 213884,02 419179,63 198904 175001 179267,5 156780,5 184072,51 184789,74 187116,68 0 1898995,58 Payment after Total 2004/2006 prefinancing % of the total Redistribution final report (20%) 2006 budget after workshop 2006 42776,80 172977,31 66940,00 80,87

66740,00 83835,93 335791,21 127777,00 80,11 127377,00 39780,80 159322,36 73436,00 80,10 73236,00 35000,20 141134,16 71665,00 80,65 71465,00 35853,50 144265,69 50160,00 80,48 51960,00 31356,10 125914,76 28490,00 80,31 28290,00 36814,50 149058,08 69128,00 80,98 68928,00 36957,95 148263,74 48668,00 80,23 48468,00 37423,34 150839,35 57167,00 80,61 56967,00 0,00 0,00 0,00 0,00 0,00 379799,12 1527566,65 593431,00

80,44 593431,00 BUDGET CNR CNRS UD HUJI UAB YoK UEN IST UAL INEOS 1st year contribution 2nd year contribution 3rd year contribution 4th year contribution 51375,4 61292,4 42134,24 59081,98 90717,74 160210 133690,78 34561,11 29386 72316 70134 27068 5760 46000 79423 43818 44458,1 81186,2 44276,1 9347,1 51536,5 89887 8368 6989 27346,93 43029,85 68374,33 45321,4 43638,53 87733,68 43002,53 10415 16018,32

41644,28 80463,38 48990,7 0 0 0 0 360237,52 683299,41 569866,36 285592,29 Redistribution Money to complete prefinancing 2007 after workshop 2006 the budget (to spend) 66740,00 40906,71 127377,00 83388,42 73236,00 39581,64 71465,00 33866,84 51960,00 35001,81 28290,00 30865,74 68928,00 35014,43 48468,00 36526,00 56967,00 36277,33 0,00 0,00 593431,00 371428,93 This is what This you should you just received spend in 2007 Total 213884,02 419179,63 198904 175001

179267,5 156780,5 184072,51 184789,74 187116,68 0 1898995,58 Final payment 2008 -1870,09 -447,51 -199,16 -1133,36 -851,69 -490,36 -1800,07 -431,94 -1146,00 0,00 -8370,19 This you will receive at the end of 2007 42776,80 83835,93 39780,80 35000,20 35853,50 31356,10 36814,50 36957,95 37423,34 0,00 379799,12 This you will receive after report approval CNR CNRS UD HUJI UAB YoK UEN IST

UAL INEOS YS Questionnaire To be filled in online by each YS upon ending the appointment Conclusions Excellent training for young scientists SPEAK UP YOU LADS Improved collaborations between partners BUT TO IMPROVE WITH COORDINATORs Good publication record (11 published joint papers), can do better for 2007? The secondment program has started and is running BUT NEEDS TO BE ON SCHEDULE! Good participation of ER/ESR at international meetings, needs more joint presentations! Active collaboration with other networks (COST, MC-RTN) All positions filled in and schedule will be respected before end of contract Significant scientific results in most research objectives EXCEPT SOLAR No contract revision was necessary until the 3 rd year meeting redistribution of person months between partners was needed. a small budget distribution revision is necessary Network Meetings 2004 01/2004 AQUACHEM Starting date 2005 2006 12/2005 02/2005 AQUACHEM 1 year meeting AQUACHEM MidTerm Review + AQUACHEM WORKSHOP + COST D29 Meeting

02/2004 AQUACHEM Kick-off meeting + COST D29 meeting 2007 2008 2006 AQUACHEM 3 year meeting AQUACHEM Final meeting 12/2007 AQUACHEM The end

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