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

Rezultaty

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.

Publikacje

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

Autorzy: Yu-Kai Liao; Paolo Cleto Bruzzese; Martin Hartmann; Andreas Pöppl; Mario Chiesa
Opublikowane w: J. Phys. Chem. C, Numer 125, 2021, Strona(/y) 8116–8124, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.5281/zenodo.4706791

17O hyperfine spectroscopy in surface chemistry and catalysis

Autorzy: Yu-Kai Liao; Paolo Cleto Bruzzese; Enrico Salvadori; Mario Chiesa
Opublikowane w: Journ of Magnetic Resonance Open, Numer 16-17, 2023, Strona(/y) 100101, ISSN 2666-4410
Wydawca: Elsevier
DOI: 10.1016/j.jmro.2023.100101

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

Autorzy: Leonora Podvorica, Enrico Salvadori, Fabrizio Piemontesi, Gianni Vitale, Giampiero Morini, Mario Chiesa
Opublikowane w: Applied Magnetic Resonance, Numer 51, 2020, Strona(/y) 1515-1528, ISSN 0937-9347
Wydawca: 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

Autorzy: Daniel Schmidt; Nikolaus Falb; Ilenia Serra; Marzia Bellei; Vera Pfanzagl; Stefan Hofbauer; Sabine Van Doorslaer; Gianantonio Battistuzzi; Paul G. Furtmüller; Christian Obinger
Opublikowane w: Biochemistry, Numer 62, 2023, Strona(/y) 835–850, ISSN 0006-2960
Wydawca: American Chemical Society
DOI: 10.1021/acs.biochem.2c00696

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

Autorzy: Pablo Gracia; David Polanco; Jorge Tarancón-Díez; Ilenia Serra; Maruan Bracci; Javier Oroz; Douglas V. Laurents; Inés García-Rubio; Nunilo Cremades
Opublikowane w: Nature Communications, Numer 13, 2022, Strona(/y) 4586, ISSN 2041-1723
Wydawca: 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

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

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

Autorzy: Paolo Cleto Bruzzese, Enrico Salvadori Enrico Salvadori, Bartolomeo Civalleri, Stefan Jäger, Martin Hartmann, Andreas Pöppl, and Mario Chiesa
Opublikowane w: Journal of the American Chemical Society, Numer 144, 2022, Strona(/y) 13079–13083, ISSN 0002-7863
Wydawca: American Chemical Society
DOI: 10.1021/jacs.2c06037

Direct synthesis of a stable radical doped electrically conductive coordination polymer

Autorzy: Yong Yan; Ning-Ning Zhang; Lisa Marie Tauche; Kavipriya Thangavel; Andreas Pöppl; Harald Krautscheid
Opublikowane w: Inorganic Chemistry Frontiers, Numer 9, 2022, Strona(/y) 5016, ISSN 2052-1545
Wydawca: RSC
DOI: 10.1039/d2qi01180h

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

Autorzy: Enrico Salvadori; Paolo Cleto Bruzzese; Elio Giamello; Mario Chiesa
Opublikowane w: Accounts of Chemical Research, Numer 55, 2022, Strona(/y) 3706–3715, ISSN 0001-4842
Wydawca: American Chemical Society
DOI: 10.1021/acs.accounts.2c00606

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

Autorzy: Antonino Famulari; Danilo Correddu; Giovanna Di Nardo; Gianfranco Gilardi; Mario Chiesa; Inés García-Rubio
Opublikowane w: Journal of Inorganic Biochemistry, Numer 231, 2022, Strona(/y) 111785, ISSN 0162-0134
Wydawca: 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

Autorzy: Paolo Cleto Bruzzese; Andreas Pöppl; Magdalena Jabłońska; Kinga Góra-Marek; Kamila Pyra; Roger Gläser; Marko Bertmer; Ana Palčić; Karolina Tarach; David Poppitz
Opublikowane w: ChemCatChem, Numer 14, 2022, Strona(/y) e202200627, ISSN 1867-3880
Wydawca: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/cctc.202200627

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

Autorzy: Joel Cornelio, Seok June Lee, Tian-You Zhou, Adil Alkaş, Kavipriya Thangavel, Andreas Pöppl, and Shane G. Telfer
Opublikowane w: Chemistry of Materials, Numer 34, 18, 2022, Strona(/y) 8437–8445, ISSN 0897-4756
Wydawca: 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

Autorzy: Kavipriya Thangavel; Paolo Cleto Bruzzese; Matthias Mendt; Andrea Folli; Katharina Knippen; Dirk Volkmer; Damien M. Murphy; Andreas Pöppl
Opublikowane w: Physical Chemistry Chemical Physics, Numer 25, 2023, Strona(/y) 15702-15714, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d3cp01449e

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

Autorzy: Ilenia Serra; Inés García Rubio; Sabine Van Doorslaer
Opublikowane w: Applied Magnetic Resonance, Numer 1, 2021, ISSN 0937-9347
Wydawca: Springer Verlag
DOI: 10.1007/s00723-021-01428-w

Thiosulfonylation of Unactivated Alkenes with Visible-Light Organic Photocatalysis

Autorzy: Karthik Gadde, Pieter Mampuys, Andrea Guidetti, H. Y. Vincent Ching, Wouter A. Herrebout, Sabine Van Doorslaer, Kourosch Abbaspour Tehrani, Bert U. W. Maes
Opublikowane w: ACS Catalysis, Numer 10/15, 2020, Strona(/y) 8765-8779, ISSN 2155-5435
Wydawca: 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

Autorzy: Johannes Bitzer, Steffen Otterbach, Thangavel Kavipriya, Anastasia Kultaeva, Rochus Schmid, Andreas Pöppl, Wolfgang Kleist
Opublikowane w: Chemistry – A European Journal, Numer Volume 26, Numer 25 - May 4, 2020, 2019, Strona(/y) 5667-5675, ISSN 0947-6539
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201905596

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

Autorzy: Ana Palčić, Paolo Cleto Bruzzese, Kamila Pyra, Marko Bertmer, Kinga Góra-Marek, David Poppitz, Andreas Pöppl, Roger Gläser, Magdalena Jabłońska
Opublikowane w: Catalysts, Numer 10/5, 2020, Strona(/y) 506, ISSN 2073-4344
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal10050506

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

Autorzy: Marco Chino; Luigi Franklin Di Costanzo; Linda Leone; Salvatore La Gatta; Antonino Famulari; Mario Chiesa; Angela Lombardi; Vincenzo Pavone
Opublikowane w: Nature Communications, Numer 14, 2023, Strona(/y) 2368, ISSN 2041-1723
Wydawca: Nature Publishing Group
DOI: 10.1038/s41467-023-37941-8

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

Autorzy: Bracci Maruan; Van Doorslaer Sabine; Garcia Rubio Ines
Opublikowane w: Applied Magnetic Resonance, Numer 51, 2020, Strona(/y) 1559–1589, ISSN 0937-9347
Wydawca: 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

Autorzy: Yu-Kai Liao; Valeria Lagostina; Enrico Salvadori; Martin Hartmann; Andreas Poeppl; Mario Chiesa
Opublikowane w: The Journal of Physical Chemistry C, Numer 127, 23, 2023, Strona(/y) 11103–11110, ISSN 1932-7455
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.3c01817

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

Autorzy: Paolo Cleto Bruzzese; Enrico Salvadori; Stefan Jäger; Martin Hartmann; Bartolomeo Civalleri; Andreas Pöppl; Mario Chiesa
Opublikowane w: Nature Communications, Numer 3, 2021, ISSN 2041-1723
Wydawca: 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

Autorzy: Ilenia Serra; Daniel Schmidt; Vera Pfanzagl; Georg Mlynek; Stefan Hofbauer; Kristina Djinović-Carugo; Paul G. Furtmüller; Inés García-Rubio; Sabine Van Doorslaer; Christian Obinger
Opublikowane w: Journal of Inorganic Biochemistry, 2022, ISSN 0162-0134
Wydawca: 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

Autorzy: Kavipriya Thangavel; Matthias Mendt; Bikash Garai; Andrea Folli; Volodymyr Bon; Damien M. Murphy; Stefan Kaskel; Andreas Pöppl
Opublikowane w: AIP Advances, Numer 13, 2023, Strona(/y) 015019, ISSN 2158-3226
Wydawca: American Institute of Physics Inc.
DOI: 10.1063/9.0000532

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

Autorzy: Tong Zhang, Jaro Vanderghinste, Andrea Guidetti, Sabine Van Doorslaer, Giovanni Barcaro, Susanna Monti, Shoubhik Das
Opublikowane w: Angewandte Chemie Internatioanl Edition, Numer 61, 2022, Strona(/y) e202212083, ISSN 1433-7851
Wydawca: 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

Autorzy: Giorgia A. Martino, Alessandro Piovano, Caterina Barzan, Yu-Kai Liao, Elena Morra, Kousou Hirokane, Mario Chiesa, Takashi Monoi, Elena Groppo
Opublikowane w: Journal of Catalysis, Numer 394, 2021, Strona(/y) 131-141, ISSN 0021-9517
Wydawca: 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

Autorzy: Daniel Schmidt, Ilenia Serra, Georg Mlynek, Vera Pfanzagl, Stefan Hofbauer, Paul G. Furtmüller, Kristina Djinović-Carugo, Sabine Van Doorslaer, Christian Obinger
Opublikowane w: Biochemistry, Numer 60/8, 2021, Strona(/y) 621-634, ISSN 0006-2960
Wydawca: 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

Autorzy: 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.
Opublikowane w: Electron Paramagnetic Resonance, Numer 27, 2020, Strona(/y) 1-46., ISBN 978-1-83916-171-1
Wydawca: 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

Autorzy: 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
Opublikowane w: SciPost Physics Proceedings, Numer 11, 2023, ISSN 2666-4003
Wydawca: SciPost Foundation
DOI: 10.21468/SciPostPhysProc.11.016

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