Paramagnetic Species in Catalysis Research. A Unified Approach Towards Heterogeneous, Homogeneous and Enzyme Catalysis

Resultado final

Recruitment Plan

Detailed description of the recruitment plan

Code of conduct

PARACAT code of conduct

Training packages

Transfer of training packages to Institutes delivered every 12 months starting from month 12

Publications 1

Scientific publications at least 3 per ESR in high ranking journals

PhD thesis

10 ESRs PhD thesis

Publications 3

Scientific publications at least 3 per ESR in high ranking journals

Ethics handouts

Set of training hands out on ethics to be delivered at months 7,13,19,25 after ESR meetings

Publications 2

Scientific publications at least 3 per ESR in high ranking journals

website

Digital archive and launch of the project website

List of dissemination and outreach activities

List of dissemination and outreach activities.

Publicaciones

Chromium Environment within Cr-Doped Silico-Aluminophosphate Molecular Sieves from Spin Density Studies

Autores: Yu-Kai Liao; Paolo Cleto Bruzzese; Martin Hartmann; Andreas Pöppl; Mario Chiesa
Publicado en: J. Phys. Chem. C, Edición 125, 2021, Página(s) 8116–8124, ISSN 1932-7447
Editor: American Chemical Society
DOI: 10.5281/zenodo.4706791

17O hyperfine spectroscopy in surface chemistry and catalysis

Autores: Yu-Kai Liao; Paolo Cleto Bruzzese; Enrico Salvadori; Mario Chiesa
Publicado en: Journ of Magnetic Resonance Open, Edición 16-17, 2023, Página(s) 100101, ISSN 2666-4410
Editor: Elsevier
DOI: 10.1016/j.jmro.2023.100101

Isolated Ti(III) Species on the Surface of a Pre-active Ziegler Natta Catalyst

Autores: Leonora Podvorica, Enrico Salvadori, Fabrizio Piemontesi, Gianni Vitale, Giampiero Morini, Mario Chiesa
Publicado en: Applied Magnetic Resonance, Edición 51, 2020, Página(s) 1515-1528, ISSN 0937-9347
Editor: Springer Verlag
DOI: 10.1007/s00723-020-01266-2

Compound I Formation and Reactivity in Dimeric Chlorite Dismutase: Impact of pH and the Dynamics of the Catalytic Arginine

Autores: Daniel Schmidt; Nikolaus Falb; Ilenia Serra; Marzia Bellei; Vera Pfanzagl; Stefan Hofbauer; Sabine Van Doorslaer; Gianantonio Battistuzzi; Paul G. Furtmüller; Christian Obinger
Publicado en: Biochemistry, Edición 62, 2023, Página(s) 835–850, ISSN 0006-2960
Editor: American Chemical Society
DOI: 10.1021/acs.biochem.2c00696

Molecular mechanism for the synchronized electrostatic coacervation and co-aggregation of alpha-synuclein and tau

Autores: Pablo Gracia; David Polanco; Jorge Tarancón-Díez; Ilenia Serra; Maruan Bracci; Javier Oroz; Douglas V. Laurents; Inés García-Rubio; Nunilo Cremades
Publicado en: Nature Communications, Edición 13, 2022, Página(s) 4586, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-32350-9

Effect of Textural Properties and Presence of Co-Cation on NH3-SCR Activity of Cu-Exchanged ZSM-5

Autores: Magdalena Jabłońska; Kinga Góra-Marek; Miha Grilc; Paolo Cleto Bruzzese; David Poppitz; Kamila Pyra; Michael Liebau; Andreas Pöppl; Blaž Likozar; Roger Gläser
Publicado en: Catalyst, Edición 2, 2021, ISSN 2073-4344
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal11070843

The Structure of Monomeric Hydroxo-CuII Species in Cu-CHA. A Quantitative Assessment

Autores: Paolo Cleto Bruzzese, Enrico Salvadori Enrico Salvadori, Bartolomeo Civalleri, Stefan Jäger, Martin Hartmann, Andreas Pöppl, and Mario Chiesa
Publicado en: Journal of the American Chemical Society, Edición 144, 2022, Página(s) 13079–13083, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.2c06037

Direct synthesis of a stable radical doped electrically conductive coordination polymer

Autores: Yong Yan; Ning-Ning Zhang; Lisa Marie Tauche; Kavipriya Thangavel; Andreas Pöppl; Harald Krautscheid
Publicado en: Inorganic Chemistry Frontiers, Edición 9, 2022, Página(s) 5016, ISSN 2052-1545
Editor: RSC
DOI: 10.1039/d2qi01180h

Single Metal Atoms on Oxide Surfaces: Assessing the Chemical Bond through 17O Electron Paramagnetic Resonance

Autores: Enrico Salvadori; Paolo Cleto Bruzzese; Elio Giamello; Mario Chiesa
Publicado en: Accounts of Chemical Research, Edición 55, 2022, Página(s) 3706–3715, ISSN 0001-4842
Editor: American Chemical Society
DOI: 10.1021/acs.accounts.2c00606

EPR Characterization of the Heme Domain of a Self-Sufficient Cytochrome P450 (CYP116B5)

Autores: Antonino Famulari; Danilo Correddu; Giovanna Di Nardo; Gianfranco Gilardi; Mario Chiesa; Inés García-Rubio
Publicado en: Journal of Inorganic Biochemistry, Edición 231, 2022, Página(s) 111785, ISSN 0162-0134
Editor: Elsevier BV
DOI: 10.1016/j.jinorgbio.2022.111785

Influence of Framework n(Si)/n(Al) Ratio on the Nature of Cu Species in Cu-ZSM-5 for NH3-SCR-DeNOx

Autores: Paolo Cleto Bruzzese; Andreas Pöppl; Magdalena Jabłońska; Kinga Góra-Marek; Kamila Pyra; Roger Gläser; Marko Bertmer; Ana Palčić; Karolina Tarach; David Poppitz
Publicado en: ChemCatChem, Edición 14, 2022, Página(s) e202200627, ISSN 1867-3880
Editor: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/cctc.202200627

Photoinduced Electron Transfer in Multicomponent Truxene-Quinoxaline Metal–Organic Frameworks

Autores: Joel Cornelio, Seok June Lee, Tian-You Zhou, Adil Alkaş, Kavipriya Thangavel, Andreas Pöppl, and Shane G. Telfer
Publicado en: Chemistry of Materials, Edición 34, 18, 2022, Página(s) 8437–8445, ISSN 0897-4756
Editor: American Chemical Society
DOI: 10.1021/acs.chemmater.2c02220

Unveiling the atomistic and electronic structure of NiII–NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling

Autores: Kavipriya Thangavel; Paolo Cleto Bruzzese; Matthias Mendt; Andrea Folli; Katharina Knippen; Dirk Volkmer; Damien M. Murphy; Andreas Pöppl
Publicado en: Physical Chemistry Chemical Physics, Edición 25, 2023, Página(s) 15702-15714, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cp01449e

Pitfalls in Sample Preparation of Metalloproteins for Low-Temperature EPR: The Example of Alkaline Myoglobin

Autores: Ilenia Serra; Inés García Rubio; Sabine Van Doorslaer
Publicado en: Applied Magnetic Resonance, Edición 1, 2021, ISSN 0937-9347
Editor: Springer Verlag
DOI: 10.1007/s00723-021-01428-w

Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis

Autores: Karthik Gadde, Pieter Mampuys, Andrea Guidetti, H. Y. Vincent Ching, Wouter A. Herrebout, Sabine Van Doorslaer, Kourosch Abbaspour Tehrani, Bert U. W. Maes
Publicado en: ACS Catalysis, Edición 10/15, 2020, Página(s) 8765-8779, ISSN 2155-5435
Editor: American Chemical Society
DOI: 10.1021/acscatal.0c02159

Experimental evidence for the incorporation of two metals at equivalent lattice positions in mixed‐metal metal‐organic frameworks

Autores: Johannes Bitzer, Steffen Otterbach, Thangavel Kavipriya, Anastasia Kultaeva, Rochus Schmid, Andreas Pöppl, Wolfgang Kleist
Publicado en: Chemistry – A European Journal, Edición Volume 26, Edición 25 - May 4, 2020, 2019, Página(s) 5667-5675, ISSN 0947-6539
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201905596

Nanosized Cu-SSZ-13 and Its Application in NH3-SCR

Autores: Ana Palčić, Paolo Cleto Bruzzese, Kamila Pyra, Marko Bertmer, Kinga Góra-Marek, David Poppitz, Andreas Pöppl, Roger Gläser, Magdalena Jabłońska
Publicado en: Catalysts, Edición 10/5, 2020, Página(s) 506, ISSN 2073-4344
Editor: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal10050506

Designed Rubredoxin miniature in a fully artificial electron chain triggered by visible light

Autores: Marco Chino; Luigi Franklin Di Costanzo; Linda Leone; Salvatore La Gatta; Antonino Famulari; Mario Chiesa; Angela Lombardi; Vincenzo Pavone
Publicado en: Nature Communications, Edición 14, 2023, Página(s) 2368, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-37941-8

EPR of Compound I: An Illustrated Revision of the Theoretical Model

Autores: Bracci Maruan; Van Doorslaer Sabine; Garcia Rubio Ines
Publicado en: Applied Magnetic Resonance, Edición 51, 2020, Página(s) 1559–1589, ISSN 0937-9347
Editor: Springer Verlag
DOI: 10.1007/s00723-020-01278-y

Short-Range Electronic Interactions between Vanadium and Molybdenum in Bimetallic SAPO-5 Catalysts Revealed by Hyperfine Spectroscopy

Autores: Yu-Kai Liao; Valeria Lagostina; Enrico Salvadori; Martin Hartmann; Andreas Poeppl; Mario Chiesa
Publicado en: The Journal of Physical Chemistry C, Edición 127, 23, 2023, Página(s) 11103–11110, ISSN 1932-7455
Editor: American Chemical Society
DOI: 10.1021/acs.jpcc.3c01817

17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites

Autores: Paolo Cleto Bruzzese; Enrico Salvadori; Stefan Jäger; Martin Hartmann; Bartolomeo Civalleri; Andreas Pöppl; Mario Chiesa
Publicado en: Nature Communications, Edición 3, 2021, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-021-24935-7

Impact of the dynamics of the catalytic arginine on nitrite and chlorite binding by dimeric chlorite dismutase

Autores: Ilenia Serra; Daniel Schmidt; Vera Pfanzagl; Georg Mlynek; Stefan Hofbauer; Kristina Djinović-Carugo; Paul G. Furtmüller; Inés García-Rubio; Sabine Van Doorslaer; Christian Obinger
Publicado en: Journal of Inorganic Biochemistry, 2022, ISSN 0162-0134
Editor: Elsevier BV
DOI: 10.1016/j.jinorgbio.2021.111689

Magnetic coupling of divalent metal centers in postsynthetic metal exchanged bimetallic DUT-49 MOFs by EPR spectroscopy

Autores: Kavipriya Thangavel; Matthias Mendt; Bikash Garai; Andrea Folli; Volodymyr Bon; Damien M. Murphy; Stefan Kaskel; Andreas Pöppl
Publicado en: AIP Advances, Edición 13, 2023, Página(s) 015019, ISSN 2158-3226
Editor: American Institute of Physics Inc.
DOI: 10.1063/9.0000532

Π–Π Stacking Complex Induces Three-Component Coupling Reactions To Synthesize Functionalized Amines

Autores: Tong Zhang, Jaro Vanderghinste, Andrea Guidetti, Sabine Van Doorslaer, Giovanni Barcaro, Susanna Monti, Shoubhik Das
Publicado en: Angewandte Chemie Internatioanl Edition, Edición 61, 2022, Página(s) e202212083, ISSN 1433-7851
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202212083

Cr[CH(SiMe3)2]3/SiO2 catalysts for ethene polymerization: The correlation at a molecular level between the chromium loading and the microstructure of the produced polymer

Autores: Giorgia A. Martino, Alessandro Piovano, Caterina Barzan, Yu-Kai Liao, Elena Morra, Kousou Hirokane, Mario Chiesa, Takashi Monoi, Elena Groppo
Publicado en: Journal of Catalysis, Edición 394, 2021, Página(s) 131-141, ISSN 0021-9517
Editor: Academic Press
DOI: 10.1016/j.jcat.2020.12.022

Arresting the Catalytic Arginine in Chlorite Dismutases: Impact on Heme Coordination, Thermal Stability, and Catalysis

Autores: Daniel Schmidt, Ilenia Serra, Georg Mlynek, Vera Pfanzagl, Stefan Hofbauer, Paul G. Furtmüller, Kristina Djinović-Carugo, Sabine Van Doorslaer, Christian Obinger
Publicado en: Biochemistry, Edición 60/8, 2021, Página(s) 621-634, ISSN 0006-2960
Editor: American Chemical Society
DOI: 10.1021/acs.biochem.0c00910

Paramagnetic species in catalysis research: a unified approach towards (the role of EPR in) heterogeneous, homogeneous and enzyme catalysis

Autores: Bracci Maruan; Bruzzese Paolo Cleto; Famulari Antonino; Fioco David; Guidetti Andrea; Liao Yu-Kai; Podvorica Leonora; Rezayi Seyedeh Fardokht; Serra Ilenia; Thangavel Kavipriya; Murphy Damien M.
Publicado en: Electron Paramagnetic Resonance, Edición 27, 2020, Página(s) 1-46., ISBN 978-1-83916-171-1
Editor: Royal Society of Chemistry
DOI: 10.1039/9781839162534-00001

EPR and SQUID interrogations of Cr(III) trimer complexes in the MIL-101(Cr) and bimetallic MIL-100(Al/Cr) MOFs

Autores: Kavipriya Thangavel; Andrea Folli; Michael Ziese; Steffen Hausdorf; Authors: Kavipriya Thangavel,1,2 Andrea Folli,2 Michael Ziese,1 Steffen Hausdorf,3 Stefan Kaskel; Damien M. Murphy; Andreas Pöppl
Publicado en: SciPost Physics Proceedings, Edición 11, 2023, ISSN 2666-4003
Editor: SciPost Foundation
DOI: 10.21468/SciPostPhysProc.11.016

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