Laboratoire de Synthèses Métallo-Induites de l'UMR 7177 du CNRS

Séminaire d'Anna KRYLOV

Webmestre — 2012-03-28T11:58:22Z

Quantum chemistry behind bioimaging : Insights from ab initio studies of fluorescent proteins and their chromophores

Anna I. Krylov

Dept. of Chemistry, University of Southern California, Los Angeles, CA 90089-0482

The unique properties of green fluorescent protein (GFP) have been harnessed in a variety of bioimaging techniques, revolutionizing many areas of the life sciences. Molecular-level understanding of the underlying photophysics provides an advantage in the design of new fluorescent proteins (FPs) with improved properties ; however, because of its complexity, many aspects of the GFP photocycle remain unknown. This lecture will discuss computational studies of FPs and their chromophores that provide qualitative insights into mechanistic details of their photocycle and the structural basis for their optical properties. Methodological aspects will also highlighted.

[1] K.B. Bravaya, B.L. Grigorenko, A.V. Nemukhin, and A.I. Krylov ; Quantum chemistry behind bioimaging : Insights from ab initio studies of fluorescent proteins and their chromophores Acc. Chem. Res. 45, 265 (2012).

Séminaire du Prof Dr KLEIN GEBBINK

Webmestre — 2012-03-28T07:56:03Z

Bio-inspired Approaches in Homogeneous Catalysis : From Sustainable Catalysis to Catalytic Biomass Transformation

R.J.M. (Bert) Klein Gebbink

Organic Chemistry & Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht, The Netherlands

Email : r.j.m.kleingebbink_at_uu.nl

Bio-inspiration has been a very important driver of the research on homogeneous catalysis carried out by my group at Utrecht University. Several aspects of enzyme catalysis have inspired us in the design of ligands or catalytic protocols and are the basis of many of our research projects. Examples include the development of molecular non-heme iron complexes as metallo-enzyme mimics and oxidation catalysts [1], the design of site-isolated dendritic phosphine ligands for catalytic C–C bond forming reactions [2], and the amalgamation of synthetic homogeneous catalysts with natural enzymes in the construction of semi-synthetic enzymes [3]. In this talk I will focus on two of the major ongoing research efforts in the group, which both can be considered as ‘bio-inspired'. One part of the talk will describe our work on the mimicry of non-heme iron enzymes and the development of practical iron-based oxidation catalysts [1]. This work ranges from biomimetic ligand design, to oxidation reactions like alkane hydroxylation, alkene epoxidation, and alkene cis-dihydroxylation, and to the optimization and immobilization of iron catalysts. The second part of the talk will deal with the emerging and rapidly expanding field of catalytic biomass conversion. The production of biomass-derived fuels and chemicals is of great interest due to a growing incentive to replace processes based on petrochemical feedstocks with greener and more sustainable chemical processes. Part of our efforts in this field involves the use of bio-based nucleophiles in the Pd-catalyzed telomerization of butadiene, which has led to the development of a new and highly active catalyst system and to further insight in the overall telomerization mechanism [4].

Selected references :

[1] a) P.C.A. Bruijnincx, et al. J. Am. Chem. Soc. 2007, 129, 2275. b) ibid. Chem. Soc. Rev., 2008, 37, 2716. [2] a) D.J.M. Snelders, et al. Adv. Synth. Catal. 2008, 350, 262. b) ibid. J. Am. Chem. Soc. 2009, 131, 11407. [3] a) C.A. Kruithof, et al. Chem. Eur. J. 2005, 11, 6869. b) L. Rutten, et al. Chem. Eur. J., 2009, 15, 4270. [4] a) R. Palkovits, et al. ChemSusChem 2008, 1, 193. b) P.J.C. Hausoul, et al. Angew. Chem. Int. Ed. 2010, 49, 7972.

Curriculum Vitae

Prof. Dr. Bert Klein Gebbink

Organic Chemistry & Catalysis

Debye Institute for Nanomaterials Science

Utrecht University

Universiteitsweg 99, 3584 CG Utrecht, The Netherlands

Fax : +31-30-2523615

Tel : +31-30-2531889

Education

1987-1992 : MSc. studies at Radboud University Nijmegen ; physical organic chemistry 1993-1997 : PhD studies at Radboud University Nijmegen with R.J.M. Nolte ; supramolecular chemistry and bioinorganic chemistry

Academic Career

1997-1999 : Stanford University, post-doc with T.D.P. Stack ; bioinorganic chemistry, oxidation catalysis 1999–2003 Utrecht University, senior post-doc with G. van Koten 2003–2004 Utrecht University, assistant professor Metal-Mediated Synthesis 2004–2006 Utrecht University, associate professor Metal-Mediated Synthesis 2006–now Utrecht University, full professor and head of Organic Chemistry & Catalysis group

Research Interests

Transition metals in synthesis ; transition metals in biology ; non-heme iron chemistry (biomimicry and oxidation catalysis) ; catalytic C–C and C-X formation ; catalytic C–H activation ; homogeneous catalyst immobilization ; tandem (cascade) catalysis ; combined homogeneous-bio-catalysis (construction of hybrid catalysts) ; catalytic biomass conversion.

Awards

VIDI award from Netherlands Organisation for Scientific Research (NWO) Member of the National Research School Combination Catalysis (NRSC-C)

Profs Anna KRYLOV et Robertus J.M. KLEIN GEBBINK

Webmestre — 2012-03-28T07:45:33Z

Université de Strasbourg / CNRS
Ecole Doctorale des Sciences Chimiques (ED 222)

Faculté de Chimie

Institut de Chimie de Strasbourg –UMR 7177 CNRS/UdS

Chères et Chers collègues,

Nous avons le plaisir de vous convier aux conférences suivantes qui se tiendront en salle Mauve (salle du conseil) de la Faculté de Chimie (Esplanade) le 5 avril 2012 prochain :

14:30 Prof. Dr. Anna KRYLOV Department of Chemistry, University of Southern California, LA, USA

“ Quantum Chemistry behind bioimaging : insights from ab initio studies of fluorescent proteins and their chromophores”

résumé : ICI

Coffee break

16:30 Prof. Dr. Robertus J. M. KLEIN GEBBINK du Laboratoire de Chimie Organique et de Catalyse, Faculté des Sciences de l'Université d'Utrecht, Pays-Bas.

“ Bio-inspired Approaches in Homogeneous Catalysis : From Sustainable Catalysis to Catalytic Biomass Transformation “

résumé et CV de l'auteur : ICI

Contacts : Chantal Daniel (c.daniel_at_unistra.fr) / Jean-Pierre Djukic (djukic_at_unistra.fr)

PhD Position offered : investigation and application of non-covalent interaction coordination and organometallic chemistry

Webmestre — 2011-04-01T08:35:08Z

The offered position will allow the holder of a master (or equivalent) degree in chemistry to pursue a PhD degree in Chemistry from the University of Strasbourg, France in 3 years.

Candidates with established experience in laboratory techniques and sound academic knowledge in coordination and organometallic chemistry are welcome to apply.

The project deals with the investigation and application of non-covalent interaction coordination and organometallic chemistry with perspectives in chiral and molecular recognition.

Candidates with background in physical chemistry will be particularly appreciated. Part of the doctoral work includes the use of reaction thermocalorimetry for the thermodynamic and kinetic characterizations of molecular associations in organometallic and coordination complexes.

The candidates will be selected based on their records at Master's degree final exams, on individual interviews (when possible) or letters of motivation, and on letters (3) of recommendation from qualified tutors and mentors.

Reasonable control of spoken and written English language would be an asset.

Information requests and applications must be sent to :

Dr Jean-Pierre Djukic Laboratoire de Synthèses Métallo-induites Institut de Chimie de Strasbourg (UMR 7177 CNRS/UdS) 4, rue Blaise Pascal 67000 Strasbourg, France.

e-mail : djukic @ unistra.fr

ph : +33-(0)3 68 85 15 23

PhD position offered

Webmestre — 2011-04-01T08:29:29Z

The offered position will allow the holder of a master (or equivalent) degree in chemistry to pursue a PhD degree in Chemistry from the University of Strasbourg, France in 3 years.

Candidates with established experience in laboratory techniques and sound academic knowledge in coordination and organometallic chemistry are welcome to apply.

The project deals with the investigation and application of non-covalent interaction coordination and organometallic chemistry with perspectives in chiral and molecular recognition.

The candidates will be selected based on their records at Master's degree final exams, on individual interviews (when possible) or letters of motivation, and on letters of recommendation from qualified tutors and mentors.

Reasonable control of spoken and written English language would be an asset.

Information requests and applications must be sent to : Dr Jean-Pierre Djukic Laboratoire de Synthèses Métallo-induites Institut de Chimie de Strasbourg (UMR 7177 CNRS/UdS) 4, rue Blaise Pascal 67000 Strasbourg, France. e-mail : djukic@unistra.fr ph : +33-(0)3 68 85 15 23

Conférence John OSBORN 2010

Michel Pfeffer, Webmestre — 2010-04-13T13:53:27Z

Vendredi 30 avril 10h30 Amphi 2

2ème édition du Collège Humboldt sur les Interactions non-Covalentes

Webmestre — 2009-10-07T14:31:42Z

The main goal of the conference is to strengthen regional and professional networking between Humboldtians and their colleagues from Germany. The conference will enable researchers to get in touch and to exchange ideas. The conference, in particular, has the scope to develop interest of junior researchers for Alexander von Humboldt Foundation programmes.

Noncovalent interactions exist between molecules and within a molecule. Hence, they are important in all molecular systems. Noncovalent interactions are playing role in all fields of chemistry, life science, environmental science, pharmacy, physics, chemical engineering and many other fields.

Since noncovalent interactions cover the full spectrum of scientific areas the conference gives Humboldtians, German, and other researchers from various disciplines the opportunity to report on their latest results.

The Conference is sponsored by Humboldt Foundation.

Conference participants of selected contributions will be invited to submit their contributions as regular research articles, communications or reviews to Central European Journal of Chemistry (CEJC) after the meeting. All submitted papers will go under regular peer review process. Accepted contributions will be published with a special note highlighting the meeting in the regular issues of CEJC.

Scientific Committee

Snežana Zarić, Serbia
Horst Borrmann, Germany
Matthias Ullmann, Germany
Michael Hall, USA
Ionel Haiduc, Romania
Jean-Pierre Djukic, France
Gabor Naray-Szabo, Hungary

Organizing Committee

Snežana Zarić, Serbia
Vesna Medaković, Serbia
Božidarka Zarić, Serbia
Srđan Stojanović, Serbia
Zoran Tomić, Serbia
Dušan Sredojević, Serbia
Goran Janjić, Serbia

Conférenciers invités

Christoph Janiak, Universitaet Freiburg, Germany Metal-nanoparticles in weakly coordinating ionic-liquids.

Matthias Ullmann, University of Bayreuth, Germany Bioinformatic Approuch in Protein Function.

Pierre Braunstein, Institut de Chimie, CNRS, Strasbourg, France Non-covalent Interactions in Metal-Ligand and Metal-Metal Bonded Systems.

Ionel Haiduk, “Babes-Bolyai” University, Cluj-Napoca, Romania Noncovalent interactions in supramolecular organometallic compounds.

Ernst-Walter Knapp, Free University Berlin, Germany Marriage of electrostatic and quantum chemistry to compute protonation and redox equilibria.

Michael Hall, Texas A & M University, U.S.A. Intermediate H---H contacts in transition metal complexes : Elongated bonding or compressed non-bonding ?

Jairton Dupont, Institute of Chemistry - UFRGS, Porto Alegre, Brazil The role of suparamolecular aggregates on the formation and stabilization of metal nanoparticles in imidazolium ionic liquids.

Ivan Gutman, University of Kragujevac, Serbia Mathematical Chemistry - History and Recent Developments.

Radivoje Prodanović, Jacobs University Bremen, Germany High throughput screening system based on FACS and in vitrocompartmentalization for directed evolution of glucose oxidase toward improved affinity and activity for glucose.

Goran Vladisavljević, Loughborough University, United Kingdom Hydrodynamic interactions at liquid/liquid interfaces in microfluidic devices.

Tzonka Mineva, Institut Charles Gerhardt, France Structures and dynamics of surfactant templates : phosphatidil choline lipids and n-alkylmethylamonium bromide salts.

Gabor Naray-Szabo, Eotvous University Budapest, Hungary Binding of Small-Molecule Ligands to Calmodulin.

Georgi N. Vayssilov, University of Sofia, Bulgaria Computational modeling of the influence of hydrogen bonding and proton transfer on protein biosynthesis in ribosome.

Marius Andruh, University of Bucharest, Romania Metallosupramolecular chemistry and crystal engineering of multimetallic systems.

Miroslav Boca, Slovak Academy of Sciences, Slovak Republic Columbic interactions in high temperature molten salts.

Fanica Cimpoesu, Institute of Physical Chemistry, Bucharest, Romania Aromaticity and stacking effects in organic and coordination systems.

Ilza Pajeva, Bulgarian Academy of Sciences, Sofia, Bulgaria Modeling of P-glycoprotein interactions.

Nenad Juranić, Mayo Clinic, Rochester, Minnesota, USA Hydrogen bonds in proteins.

Marilena Ferbinteanu, University of Bucharest, Romania Long range effects in supramolecular architectures of lanthanide complexes.

Slobodan Macura, Mayo Clinic, Rochester, Minnesota, USA Hydrogen bonds with aromatic molecules.

Ioan Silaghi-Dumitrescu, “Babes-Bolyai” University, Cluj-Napoca, Romania Teorethical study of metal interactions.

Rade Marković, University of Belgrade, Serbia Role of hydrogen bonds in equilibrium of push-pull alkenes.

Rinaldo Poli, CNRS, Toulouse, France Transmission of non-covalent interaction : effect of the solvent on the cation through solvent···anion···cation interactions.

Natalia Belkova, Russian Academy of Sciences, Moscow, Russia Hydrogen bond structure as determinant for the protonation mechanism of transition metal hydrides.

Ingmar Persson, Swedish University of Agricultural Sciences, Uppsala, Sweden Hydration of Anions in Aqueous Solution.

Ryszard Kubiak, Polish Academy of Sciences, Poland Coordination Compounds of Metallophthalocyanines - the way to usable materials.

Miloš Milčić, University of Belgrade, Serbia Noncovalent interactions of pi-systems in transition metal complexes.

Jaroslav Burda, Charles University, Check Republic Comparison of thermodynamic and kinetic parameters for chosen interaction mechanisms of different metallodrugs.

Le groupe d'étude AT2PMC au sein du LSMI 2006-2009

Jean-Pierre Djukic — 2009-03-04T10:31:26Z

La “Task force” AT2PMC au sein du LSMI 2006-2009

Projet Jeune chercheur ANR JC 2006

Coordinateur et responsable scientifique : Jean-Pierre Djukic

L'équipe AT2PMC (Atom Transfer Processes Promoted by MetallaCycles) se compose de personnes impliquées à plus de 25 % de leur temps sur ce projet, c'est à dire de deux CR CNRS et de deux post-doctorants sous CDD sur fond ANR gérés par l'ANR. Le démarrage du projet fut possible grâce au concours d'un doctorant dont les travaux ont constitué une bonne partie des fondements du projet AT2PMC.

Personnel impliqué à plus de 25 %

CNRS :
- Jean-Pierre DJUKIC (CR1, UMR 7177)
- Laurent BARLOY (CR1, UMR 7177)

CDD, post-doctorants
- Dr Ksenia PARKHOMENKO
- Dr Cédric BOULHO

Doctorant (sur budget autre)
- Akram HIJAZI

Stagiaires et autres contributeurs
- Atika CHEMMI (M1)
- Wissam IALI (M2)
- Dr Carla SCHEEREN (post-doc non ANR)

Par transfert d'atome il est entendu qu'il s'agit de transférer un atome ou un groupe d'atomes. Le ligand chélatant du métallacycle présente l'avantage de pouvoir à la fois moduler la réactivité du centre métallique et induire l'asymétrie nécessaire pour réaliser une éventuelle induction de chiralité ou produire une stéréospécificité.

Publication de l'ouvrage "Palladacycles" chez Wiley-VCH

Webmestre — 2009-03-04T09:54:51Z

Palladacycles

Editor(s) : Prof. Dr. Jairton Dupont, Dr. Michel Pfeffer

Print ISBN : 9783527317813 Online ISBN : 9783527623211

DOI : 10.1002/9783527623211

A propos de cet ouvrage :

From synthesis to applications in catalysis, material science and biology this much-needed book is the first to comprehensively present everything you need to know about palladacycles. Renowned international authors guarantee high-quality content, making this a must-have for everyone working in the field.

voir aussi : http://www3.interscience.wiley.com/cgi-bin/bookhome/121392509/

Pour un aperçu cliquez ICI

2009

Webmestre — 2009-03-04T09:34:22Z

I. Hyla-Kryspin, S. Grimme, J.P. Djukic* The Cr-Mn Interaction in syn-Facial [Tricarbonyl(benzyl)chromium]manganesetricarbonyl Complexes : a Non-Covalent Metal-Metal Bond

Organometallics, 2009, 28, 1001-1013.

J.-P. Djukic,* K. Parkhomenko, A. Hijazi, A. Chemmi, L. Allouche, L. Brelot, M. Pfeffer, L. Ricard and X.-F. Le Goff u-Chloro,u-Hydroxo-bridged Dicarbonyl Ruthenacycles : Synthesis, Structure and Catalytic Properties in Hydrogen Atom Transfer

Dalton Transactions, 2009, DOI : 10.1039/b820426h

S. Choua,* J.-P. Djukic*, J. Dalléry, A. Bieber, R. Welter, J.-P. Gisselbrecht, P. Turek and L. Ricard Stable and Highly Persistent Quinoxaline-Centred Metallo-Organic Radical Anions : Preparation, Structural, Spectroscopic and Computational Investigations.

Inorg. Chem., 2009, 48, 149–163.

J.-P. Djukic, J.-B. Sortais, L. Barloy, M.Pfeffer,* Cycloruthenated Compounds, Synthesis and Applications

Eur. J. Inorg. Chem., 2009,817-853.