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AQUACHEM
Transition Metal Chemistry and Catalysis in
Aqueous Media
Project MRTN-CT-2003-503864
3rd Year Meeting UD Debrecen, Hungary 12 - 13
January 2007
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Transition Metal Chemistry and Catalysis in
Aqueous Media
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AQUACHEM Young Researchers
2004 - 2005
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
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AQUACHEM Young Researchers
2004 - 2006
Participant Contract deliverable of Young Researchers to be financed by the contract (person- months) Contract deliverable of Young Researchers to be financed by the contract (person- months) Contract deliverable of Young Researchers to be financed by the contract (person- months) Young Researchers financed by the contract so far (person-months) Young Researchers financed by the contract so far (person-months) Young Researchers financed by the contract so far (person-months)
Participant ESR (a) ER (b) Total (ab) ESR ( c) ER (d) Total (cd)
1. CNR 18 12 30 8 12 20
2. CNRS (a) 63a,d 11a 74d 28 11 39
2. CNRS (b) 63a,d 11a 74d 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
TOTAL 163b,d 160c 323 126 105 231
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AQUACHEM Young Researchers
2006 new
Paolo Sgarbossa ESR
1/3/06 31/7/06
M. Mar Tristany ER
1/1/06 30/11/06
Andrey Chernadyev ER
26/6/06 25/6/07
Guoying Zhao ER 1/7/06
30/06/07
Ines Mallqui ESR 1/5/06
30/10/07
Ambroz Almassy ER
1/10/06 30/09/07
Katrin Gruenwald ESR
1/12/06 31/5/07
Gabor Kovacs ER 1/6/06
31/5/07
Malgorzata Brindell ER
15/7/06 14/11/07
Emma Petersen ESR
1/2/06 31/1/07
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AQUACHEM Young Researchers
2006 continuing
Paul Servin ESR 1/11/04
31/8/07
Petr Prikhodcenko ER
22/6/05 21/6/06
Wojciech Woitkow ER
1/7/05 30/6/06
Ines Mallqui ESR 1/7/04
30/4/06
Chiara Dinoi ESR
1/9/04 14/1/07
Nicole Reddig ER
1/9/04 28/02/06
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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!
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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).

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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)

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Person-months and budget redistribution was
needed!
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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 CpMo and CpW 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
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AQUACHEM Scientific Objectives
The design, synthesis and characterization of new
hydrosoluble ligands
Objective 1
The study of their co-ordination chemistry with
metals of catalytic relevance
The design, synthesis and characterization of
organometallic compounds with aqua, hydroxo, and
oxo ligands
Objective 2
Substrate activation and stoichiometric
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 3
Objective 4
Physico-chemical studies of complex-solvent
interactions
Objective 5
The development or improvement of analytical
instrumentation
Objective 6
Theoretical 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
Electrocatalytic studies in aqueous/biphasic
media
Objective 9
Photochemistry and photocatalysis in
aqueous/biphasic media including solar-induced
reactions. ?
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AQUACHEM TASKS
Task 1
Task 2
Task 3
Task 4
Task 5
Task 6
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Major milestones left over (for 2004-2005)
Scientific Management/Training
24 months A working prototype of an on-line capillary photoreactor coupled on line to an electrospray mass spectrometer (T4,T5) Full thermodynamics of solvent-complex 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
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Major milestones for years 2004-2006 (as from
Annex I)
Scientific Management/Training
36 months 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
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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-IS
T) 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)
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AQUACHEM Collaboration Network 2005
Joo
Lev/Gun
van Eldik
Lledos
Caminade
Shubina
Perutz
Romerosa
Pombeiro
Peruzzini
Poli
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Administrative and financial details
Cost declarations old Form C
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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
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QUEST module main Menu
FP6 IT System
Start Screen
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FP6 IT System Training
FP6 IT System
Access Management module

• Definition
• The external user (Coordinator or Participant)
  can register himself as a new user for the QUEST
  reporting module

• Actions
• Register as a new user
• Change password after confirmation e-mail
• Reset the password if password has been forgotten
• Update personal information
• Register participation as a new project
  Participant

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Click on ACCESS MANAGEMENT menuRegister as a
new user (1)
FP6 IT System
Coordinator or Participant registers himself
as a new user
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Administrative and financial details
Cost structure

• Costs related to the recruited researcher
• 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 gt1year)
• 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

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Administrative and financial details
Cost structure

• Costs related to the host organisation
• 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
• Overheads 10 of (direct costs subcontracting)
• Other costs if justified, durable equipment
• (ECs prior agreement NOT APPLICABLE to our
  contract)

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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

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Administrative and financial details
BUDGET DIVISION ()
CNR 213884 CNRS 419180 UD
198904 HUJI 175001 UAB 179267 YoK
156780 UEN 184072 IST 184789 UAL
187116 INEOS 0
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Administrative and financial details
BUDGET
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(No Transcript)
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BUDGET
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BUDGET
This you should spend in 2007
This you will receive at the end of 2007
This you will receive after report approval
This is what you just received
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YS Questionnaire
To be filled in online by each YS upon ending the
appointment
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Conclusions

• Excellent training for young scientists

SPEAK UP YOU LADS

• Improved collaborations between partners

BUT TO IMPROVE WITH COORDINATORs
can do better for 2007?

• Good publication record (11 published joint
  papers),

• The secondment program has started and is running

BUT NEEDS TO BE ON SCHEDULE!
needs more joint presentations!

• Good participation of ER/ESR at international
  meetings,

• 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 3rd
  year meeting
• redistribution of person months between partners
  was needed.
• a small budget distribution revision is
  necessary

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Network Meetings
2004
2005
2006
AQUACHEM The end
12/2007