Early Stage Researchers

Fardokht Rezayi

ESR1: Application of Earth Abundant Metals (EAMs) for small molecule activation and C-C cross coupling

Supervisors:

Prof. Damien M. Murphy (Cardiff University)

Prof. Sabine van Doorslaer (University of Antwerp)

Host institution: Cardiff University

Partner institutions: University of Antwerp, FAU, Bruker

Work package: WP3

Contact: RezayiS@cardiff.ac.uk

Fardokht Rezayi has obtained her Bachelor’s degree in chemistry from the Dpt. of chemistry, Arak University, Iran. Later she received a master degree in organic chemistry from the Kharazmi University, Iran. Her Master thesis project entitled as “Synthesis and Characterization of polystyrenesulfonicacid/CMK-8 nanocomposite containing Nickel nanoparticles as a novel acid-metal Bi-functional Catalyst and It’s application in one-pot reductive Amination of Aldehydes.”. Currently, her research interest under PARACAT project focuses on Application of Earth Abundant Metals (EAMs) like Fe (I) and Ni (I) for small molecule activation and C-C cross coupling. She will study the Kumada and Negeshi cross coupling of aryl halides primarily as the test reaction. The focus will be in characterizing paramagnetic states, spin transitions and ligand stabilized radicals, which are not accessible by conventional spectroscopic methods


Paolo Cleto Bruzzese

ESR2: Activation of small molecules by cupric ions in MOFs and zeolites

Supervisors:

Prof. Andreas Pöppl (University of Leipzig)

Prof. Mario Chiesa (University of Torino)

Host institution: University of Leipzig

Partner institutions: University of Torino, FAU, Bruker

Work package: WP3

Contact: paolo.bruzzese@uni-leipzig.de

 Paolo Cleto Bruzzese obtained his Bachelor´s degree in Chemistry and Chemical Technologies at the University of Torino, Italy. Later, he received his Master’s degree in Chemistry at the same institution, working on the computational modeling of MgCl2-based Ziegler-Natta catalyst. Throughout the preparation of his Master’s thesis, he exploited CRYSTAL code on Leibniz Supercomputing Center (Garching, DE) in order to perform Quantum Mechanical (QM) calculations on complex and large models of MgCl2. His research within the PARACAT project focuses on the determination of the geometrical structure of reaction precursor and intermediate states involving Cu(II) ions in metal organic frameworks and zeolites by combining EPR experiments with DFT computations on complex models. The final aim is to understand the role of the spin carrying paramagnetic Cu(II) ions in the activation of CO2 and the conversion of methane to methanol.


Ilenia Serra

ESR3: Mechanistic insight in peroxidase activity towards industrial applications

Supervisors:

Prof. Sabine van Doorslaer ( University of Antwerp)

Prof. Inés García-Rubio (University of Zaragoza)

Host institution: University of Antwerp

Partner institutions: University of Zaragoza, BOKU, BIOP

Work package: WP3

Contact: Ilenia.Serra@uantwerpen.be

Ilenia Serra obtained her Bachelor degree in Biotechnology at the University of Bologna, Italy. Later, she received a Master degree in Industrial Biotechnology from the University of Modena and Reggio Emilia, Italy, working on Lytic Polysaccharide Monooxygenases, metallo-proteins acting on the recalcitrant biomasses. During the preparation of her Master’s thesis, she spent three months as a training student at the University of York, England, where she focused on the use of Electron Paramagnetic Resonance spectroscopy for the study of copper-enzymes. Her research interest within the PARACAT project focuses on revealing mechanistic details of the reactions performed by two representatives of the peroxidase superfamily and the effect of incorporation of these proteins in nanoporous materials with the perspective of a future industrial exploitation.


Leonora Podvorica

ESR4: Paramagnetic active sites in Ziegler-Natta catalysts

Supervisors:

Prof. Mario Chiesa (University of Torino)

Prof. Sabine van Doorslaer (University of Antwerp)

Host institution: University of Torino

Partner institutions: University of Antwerp, LYB, INN

Work package: WP4

Contact: Leonora.Podvorica@unito.it

Leonora Podvorica obtained her Bachelor degree in Chemical Engineering at the University of Prishtina “Hasan Prishtina”, Kosovo, working on the synthesis of some new Schiff bases and the evaluation of antibacterial activity in vitro. Later, she received a Master degree in Analytical and Environmental Chemistry from the University of Prishtina, working on the method development for thorough characterization of surface modified polymeric particles used in anion exchange chromatography. Throughout the preparation of her Master’s thesis, she spent five months as an exchange student at the University of Umeå, Sweden. During this time she worked on the evaluation of the swelling properties, mechanical and pH stability; determination of the surface and pore size, as well as of ion-exchange capacity and chromatographic testing to characterize retention and selectivity of the packing prototype materials, developed by Diduco AB Company, Sweden. Her research interest within the PARACAT project focuses on exploring new direct insight into the elusive active paramagnetic species of polymerization catalysts and their role in the microscopic reversibility of the olefin polymerization process.


Yu-Kai Liao

ESR5: The role of Cr paramagnetic states in olefin polymerization over Phillips Catalysts

Supervisors:

Prof. Mario Chiesa (University of Torino)

Prof. Andreas Pöppl (University of Leipzig)

Host institution: University of Torino

Partner institutions: University of Leipzig, FAU, LYB

Work package: WP4

Contact: yukai.liao@unito.it

Yu-Kai Liao studied Mathematics and Physics at the National Tsing Hua University, Taiwan. Then he obtained his Master’s degree in Physics at the University of Leipzig, Germany, working on continuous wave Electron Paramagnetic Resonance (cwEPR) investigations on paramagnetic ions incorporated at metal sites in metal-organic frameworks (MOFs) as probes for characterizing the local geometry of the frameworks. His research within the PARACAT project focuses on the mechanism of the Phillips catalyst by studying the role of Cr species as active sites under different olefin polymerization conditions; and the quantitative study of the relation between the zero-field splitting (ZFS) parameters and the geometry of the Cr active species.


Kavipriya Thangavel

ESR6:Elucidation of the role of paramagnetic valence states of chromium, vanadium, and iron in bimetallic MIL-100 and MIL-101 MOF catalysts

Supervisors:

Prof. Andreas Pöppl (University of Leipzig)

Prof. Damian M. Murphy (Cardiff University)

Host institution: University of Leipzig

Partner institutions: Cardiff University, FAU, University of Torino, LYB

Work package: WP4

Contact: kavipriya.thangavel@uni-leipzig.de

Ms. T. Kavipriya, has obtained her Bachelor’s and Master’s degree in Physics from the Dpt. of Physics, Bharathiar University, India with the Master thesis project entitled as “Microwave Assisted Combustion Synthesis of BaFe12O19 and Its Magnetic Properties”. Later, she received her Master of Philosophy from the Dpt. of Nuclear Physics, Madras University, India and completed her project entitled as “Effect of Spin interactions on the Lande splitting factor in NiFe2O4 inverse spinel”. Afterwards, she joined the Dpt. of Physics, Indian Institute of Technology Madras (IITM, India) as a Junior Research Fellow and worked on ‘Tracking Structural and Magnetic Transition in Electron doped Manganite Oxide (RE1-xCa­xMnO3) by Neutron Powder Diffraction & Its Magnetocaloric Properties’. Currently, her research interest under PARACAT project focuses on investigating the incorporation of high spin transition metal ion species like, Cr(III), V(III) and Fe(III) in bimetallic MIL -100 and MIL-101 metal organic frameworks (MOF’s) for the catalytic applications.


Antonino Famulari

ESR7: Towards tuning CYP450 reactivity study of the oxidation cycle of CYP116B5 using H2O2

Supervisors:

Prof. Inés García Rubio (University of Zaragoza)

Prof. Mario Chiesa (University of Torino)

Host institution: University of Zaragoza

Partner institutions: University of Torino, INN, BIOP

Work package: WP5

Contact: tonyfamulari@unizar.es

Antonino Famulari obtained his Bachelor’s and Master’s degree in Chemistry at the University of Messina, Italy. In both, he worked on organic synthesis centered in the production of glucosidic Oligo(Phenylene-Ethynylene)s biocompatible photosensitizers that may be applied in photodynamic therapy. His research interest within the PARACAT project focuses on understanding the reaction mechanism and the nature of reactive intermediates of cytochromes P450 in two bacterial model enzymes: the CYP102A1 and the CYP116B5. They exhibit a different hydroxylation pathway from each other and one of them, the CYP116B5, is particularly appealing from the biocatalytic point of view since no expensive electron source donor and reduction partners are necessary to carry out the reaction.


Maruan Alberto Bracci

ESR 8: Studying the role of proximal heme ligation in the reactivity of compound I by hyperfine spectroscopy

Supervisors:

Prof. Inés García-Rubio (University of Zaragoza)

Prof. Sabine Van Doorslaer (University of Antwerp)

Host institution: University of Zaragoza

Partner institutions: University of Antwerp, University of Torino, BIOP

Work package: WP5

Contact: bracci47@unizar.es

Maruan Alberto Bracci obtained his Bachelor’s Degree in Chemistry at the University of Camerino, Italy. Later, he received a Master’s Double Degree in Chemistry and Advanced Chemical Methodologies from the University of Camerino, Italy, and the University of Catamarca, Argentina, working on preparation and characterization of enzymatic aggregates of laccase (CLEAs) from the cultivation of Trametes sp. His interest in the PARACAT project is focused on the development and the optimization of methods for trapping, stabilizing and identifying short-lived reaction intermediates of peroxidase, catalase, chloroperoxidase and P450 enzymes. The final aim is to map the spin density at the axial position of the heme, using a multifrequency approach, and to provide a comprehensive picture of structure-function relations in these enzymes.


David Fioco

ESR 9: Advanced EPR study of Cr and Co paramagnetic metal centers in catalysis

Supervisors:

Prof. Damien M. Murphy (Cardiff University)

Prof. Mario Chiesa (University of Torino)

Host institution: Cardiff University

Partner institutions: University of Torino, University of Antwerp, Bruker

Work package: WP4/WP5

Contact: FiocoD@cardiff.ac.uk

Mr. David Fioco obtained his Bachelor’s degree in Chemistry at “Università La Sapienza di Roma” and his Master’s degree in Chemistry from “Università di Pisa” with a Master thesis project titled: “Synthesis, characterization and properties of platinum(IV) complexes bearing triphenylphosphine”. Within the PARACAT project his research primarily focuses on studying the chemical and photoactivation of Cr complexes related to the oligomerization of ethylene in the synthesis of 1-hexene and the mechanism of Co catalysts involved in the oxidation of para-xylene.


Andrea Guidetti

ESR 10: Combined EPR-DFT methodology to gain mechanistic insights in transition-metal catalysed oxidation reactions of organic molecules

Supervisors:

Prof. Sabine Van Doorslaer (University of Antwerp)

Prof. Damien M. Murphy (Cardiff University)

Host institution: University of Antwerp

Partner institutions: Cardiff University, INN, Bruker

Work package: WP5

Contact: Andrea.Guidetti@uantwerpen.be

Andrea Guidetti achieved his bachelor’s degree in Chemistry at the University of Padova, Italy working on the computational optimization of the conformation of diacids enclosed in a molecular cage. He later obtained his master’s degree at the same institution, with a thesis on the use of supramolecular cages functionalized with metal as chemometric tools via principal component analysis of spectroscopic data. His research interest within the PARACAT project is focused on gaining mechanistic insights on oxidation reactions catalysed by common transition metal complexes developing a combined EPR/DFT technique, and to map the influence that the nature of the metal centre and the ligand have on the homogeneous catalysis reaction.