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Zero and ultra-low field nuclear magnetic resonance

Deliverables

ZULF Science Day

The ZULF Science Day will be held as a part of the final ZULF Workshop, organized by UNITO and will provide the ESRs with an opportunity to meet and present their projects to the representatives of the industry, including big (Bruker, Phillips, GE Healthcare, Oxford Instruments, and others) and smaller (Stelar, Magritek, Cryogenic, NMR-bio, and others) companies.The goal of the event will be to increase the broad reception of the research but also to create links between network members and industrial representatives outside of the network.University of Torino has a long tradition of organizing meetings between their PhD graduates and representatives of the industry. This expertise and the network of connections will greatly benefit the event.To further increase the project's outreach, a wikipedia.org page dedicated to ZULF NMR will be created and translated to ESRs’ native languages. The article will be supplemented by links to appropriate outputs for the project, such as posters, recordings of talks and popular articles written by the ESRs.

Short and long oral presentations outside home institution for each ESR

As a results of this deliverable all ESRs will present results of their work to broader audience This will be done through participation in conferences giving lecturesseminars at other university or through secondements This will enable to gain important experience and masterize presentation skillsEach ESR has to give at least oneshort 10 15 minutes and one long 30 45 minutes presentation outside their home institution

Summer School and YS meeting

The Summer School organized by month 30 combined with the Young Scientists Workshop will be a distinct event independent of the Training WorkshopsProgress meetings The main goal of the School will be to provide the participants with an opportunity to gain indepth knowledge of ZULF related topics and in contrast to Progress Meetings it will be partially open to public A part of the School will be dedicated to establishing connections between project participants and industry representatives The accompanying Young Scientist Workshop will be mainly an opportunity for the ESRs to organize their own event and as such they will have the liberty to choose the workshops focus and form

Publication in scientific journal and conference paper as lead author for each ESR

As publishing is a key element of a scientific career all ESRs will be required to publish at least one article in a scientific journal and one conference paper as a lead author during the lifetime of the project

PhD theses submitted

All participating ESRs are required to enroll into PhD programs in their home institutions Moreover submissions of ESRs PhD dissertations will be required by the end of the project ie not later than month 48

Project website

We will set up a project website which will not only serve as a communication tool for researchers but will also provide dedicated pages explaining the background goals and visions relevant to our research We will also make available any press releases and copyright permitting pieces written about the research within ETN ZULF The website will provide regular updates about activities in the network

Publications

In-vitro NMR Studies of Prostate Tumor Cell Metabolism by Means of Hyperpolarized [1-13C]Pyruvate Obtained Using the PHIP-SAH Method

Author(s): Eleonora Cavallari, Carla Carrera, Ginevra Di Matteo, Oksana Bondar, Silvio Aime, Francesca Reineri
Published in: Frontiers in Oncology, Issue 10, 2020, ISSN 2234-943X
Publisher: Frontiers Media S. A.
DOI: 10.3389/fonc.2020.00497

15N hyperpolarisation of the antiprotozoal drug ornidazole by Signal Amplification By Reversible Exchange in aqueous medium

Author(s): Wissam Iali, Gamal A. I. Moustafa, Laurynas Dagys, Soumya S. Roy
Published in: Magnetic resonance in chemistry, Issue 07491581, 2021, ISSN 0749-1581
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/mrc.5144

Pulse sequence and sample formulation optimization for dipolar order mediated 1H→13C cross-polarization

Author(s): Stuart J. Elliott, Olivier Cala, Quentin Stern, Samuel F. Cousin, Dmitry Eshchenko, Roberto Melzi, James G. Kempf, Sami Jannin
Published in: Physical Chemistry Chemical Physics, Issue 14639076, 2021, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cp00429h

Optimizing the Reaction Conditions for the Formation of Fumarate via Trans-Hydrogenation

Author(s): Laura Wienands, Franziska Theiß, James Eills, Lorenz Rösler, Stephan Knecht, Gerd Buntkowsky
Published in: Applied Magnetic Resonance, Issue 09379347, 2021, ISSN 0937-9347
Publisher: Springer Verlag
DOI: 10.1007/s00723-021-01371-w

Zero-Field NMR of Urea: Spin-Topology Engineering by Chemical Exchange

Author(s): Seyma Alcicek, Piotr Put, Danila Barskiy, Vladimir Kontul, Szymon Pustelny
Published in: The Journal of Physical Chemistry Letters, Issue 19487185, 2021, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c02768

Singlet-Contrast Magnetic Resonance Imaging: Unlocking Hyperpolarization with Metabolism

Author(s): James Eills Author, Eleonora Cavallari, Raphael Kircher, Ginevra Di Matteo, Carla Carrera, Laurynas Dagys, Malcolm H. Levitt, Konstantin Ivanov, Silvio Aime, Francesca Reineri, Kerstin Münnemann, Dmitry Budker, Gerd Buntkowsky, Stephan Knecht
Published in: Angewandte Chemie International Edition, Issue 15213773, 2020, ISSN 1521-3773
Publisher: Wiley-VCH
DOI: 10.1002/anie.202014933

An automated system for fast transfer and injection of hyperpolarized solutions

Author(s): Morgan Ceillier, Olivier Cala, Théo El Daraï, Samuel F. Cousin, Quentin Sterna, Sylvie Guibert, Stuart J. Elliott, Aurélien Bornet, Basile Vuichoud, Jonas Milani, Christophe Pages, Dmitry Eshchenko, James G. Kempf, Catherine Jose, Simon A. Lambert, Sami Jannin
Published in: Journal of Magnetic Resonance Open, Issue 26664410, 2021, ISSN 2666-4410
Publisher: New York: Elsevier Inc.
DOI: 10.1016/j.jmro.2021.100017

Decoupling of spin decoherence paths near zero magnetic field

Author(s): Sven Bodenstedt, Denis Moll, Stefan Gloggler, Morgan W Mitchell, Michael C.D. Tayler
Published in: The Journal of Physical Chemistry Letters, Issue 19487185, 2022, Page(s) 98-104, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c03714

Porous functionalized polymers enable generating and transporting hyperpolarized mixtures of metabolites

Author(s): Théo El Daraï, Samuel F. Cousin, Quentin Stern, Morgan Ceillier, James Kempf, Dmitry Eshchenko, Roberto Melzi, Marc Schnell, Laurent Gremillard, Aurélien Bornet, Jonas Milani, Basile Vuichoud, Olivier Cala, Damien Montarnal, Sami Jannin
Published in: Nature Communications, Issue 20411723, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-24279-2

Algorithmic cooling of nuclear spins using long-lived singlet order

Author(s): Bogdan A. Rodin, Christian Bengs, Alexey S. Kiryutin, Kirill F. Sheberstov, Lynda J. Brown, Richard C. D. Brown, Alexandra V. Yurkovskaya, Konstantin L. Ivanov, Malcolm H. Levitt
Published in: The Journal of Chemical Physics, Issue 152/16, 2020, Page(s) 164201, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0006742

Meridional composite pulses for low-field magnetic resonance

Author(s): Sven Bodenstedt, Morgan W Mitchell, Michael C.D. Tayler
Published in: Physical Review A, Issue 24699934, 2022, Page(s) 033102, ISSN 2469-9934
Publisher: Americal Physical Society
DOI: 10.1103/physreva.106.033102

Constant-adiabaticity ultralow magnetic field manipulations of parahydrogen-induced polarization: application to an AA'X spin system

Author(s): Bogdan A. Rodin, James Eills, Román Picazo-Frutos, Kirill F. Sheberstov, Dmitry Budker, Konstantin L. Ivanov
Published in: Physical Chemistry Chemical Physics, 2021, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0cp06581a

Chemical Reaction Monitoring using Zero-Field Nuclear Magnetic Resonance Enables Study of Heterogeneous Samples in Metal Containers

Author(s): Dudari B. Burueva,Dr. James Eills,Dr. John W. Blanchard,Antoine Garcon,Román Picazo-Frutos,Dr. Kirill V. Kovtunov,Prof. Igor V. Koptyug,Prof. Dmitry Budker
Published in: Angewandte Chemie International Edition, Issue 15213773, 2020, ISSN 1521-3773
Publisher: Wiley-VCH
DOI: 10.1002/anie.202006266

Hyperpolarization read-out through rapidly rotating fields in the zero- and low-field regime

Author(s): Laurynas Dagys, Christian Bengs
Published in: Physical Chemistry Chemical Physics, Issue 14639076, 2022, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1cp04653e

Low-frequency excitation of singlet–triplet transitions. Application to nuclear hyperpolarization

Author(s): Laurynas Dagys, Christian Bengs, Malcolm H. Levitt
Published in: The Journal of Chemical Physics, Issue 00219606, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0065863

Solid-state 1H spin polarimetry by 13CH3 nuclear magnetic resonance

Author(s): Stuart J. Elliott, Quentin Stern, and Sami Jannin
Published in: Magnetic Resonance, Issue 26990016, 2021, ISSN 2699-0016
Publisher: Goettingen: Copernicus Publications
DOI: 10.5194/mr-2-643-2021

Robust transformation of singlet order into heteronuclear magnetisation over an extended coupling range

Author(s): Christian Bengs, Laurynas Dagys, Malcolm H.Levitt
Published in: Journal of Magnetic Resonance, Issue 00222364, 2020, ISSN 0022-2364
Publisher: New York Elsevier Inc.
DOI: 10.1016/j.jmr.2020.106850

Nuclear hyperpolarization of (1-13C)-pyruvate in aqueous solution by proton-relayed side-arm hydrogenation

Author(s): Laurynas Dagys, Anil P. Jagtap, Sergey Korchak, Salvatore Mamone, Philip Saul, Malcolm H. Levitt, Stefan Glöggler
Published in: Analyst, Issue 13645528, 2021, ISSN 1364-5528
Publisher: Royal Society of Chemistry
DOI: 10.1039/d0an02389b

Hyperpolarization of cis-15N2-Azobenzene by Parahydrogen at Ultralow Magnetic Fields

Author(s): Dr. Kirill F. Sheberstov, Vitaly P. Kozinenko, Dr. Alexey S. Kiryutin, Prof. Hans-Martin Vieth, Herbert Zimmermann, Prof. Konstantin L. Ivanov, Dr. Alexandra V. Yurkovskaya
Published in: ChemPhysChem, Issue 14394235, 2021, ISSN 1439-4235
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.202100160

Polarization transfer via field sweeping in parahydrogen-enhanced nuclear magnetic resonance

Author(s): James Eills, John W. Blanchard, Teng Wu, Christian Bengs, Julia Hollenbach, Dmitry Budker, Malcolm H. Levitt
Published in: The Journal of Chemical Physics, Issue 150/17, 2019, Page(s) 174202, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5089486

Real-Time Nuclear Magnetic Resonance Detection of Fumarase Activity Using Parahydrogen-Hyperpolarized [1- 13 C]Fumarate

Author(s): James Eills, Eleonora Cavallari, Carla Carrera, Dmitry Budker, Silvio Aime, Francesca Reineri
Published in: Journal of the American Chemical Society, Issue 141/51, 2019, Page(s) 20209-20214, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.9b10094

In Situ SABRE Hyperpolarization with Earth’s Field NMR Detection

Author(s): Hill-Casey, Sakho, Mohammed, Rossetto, Ahwal, Duckett, John, Richardson, Virgo, Halse
Published in: Molecules, Issue 24/22, 2019, Page(s) 4126, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules24224126

Dipolar order mediated 1H → 13C cross-polarization for dissolution-dynamic nuclear polarization

Author(s): Stuart J. Elliott, Samuel F. Cousin, Quentin Chappuis, Olivier Cala, Morgan Ceillier, Aurélien Bornet, Sami Jannin
Published in: Magnetic Resonance, Issue 26990016, 2020, ISSN 2699-0016
Publisher: Goettingen: Copernicus Publications
DOI: 10.5194/mr-1-89-2020

Effect of the hydrogenation solvent in the PHIP-SAH hyperpolarization of [1-13C]pyruvate

Author(s): Oksana Bondar, Eleonora Cavallari, C.Carrera, S.Aime, F.Reineri
Published in: Catalysis Today, Issue 09205861, 2022, ISSN 0920-5861
Publisher: Elsevier BV
DOI: 10.1016/j.cattod.2021.11.030

Geminal parahydrogen-induced polarization: accumulating long-lived singlet order on methylene proton pairs

Author(s): Laurynas Dagys, Barbara Ripka, Markus Leutzsch, Gamal A. I. Moustafa, James Eills, Johannes F. P. Colell, Malcolm H. Levitt
Published in: Magnetic Resonance, Issue 26990016, 2020, ISSN 2699-0016
Publisher: Göttingen: Copernicus Publications
DOI: 10.5194/mr-1-175-2020

Direct Production of a Hyperpolarized Metabolite on a Microfluidic Chip

Author(s): Sylwia J. Barker, Laurynas Dagys, William Hale, Barbara Ripka, James Eills, Manvendra Sharma, Malcolm H. Levitt, Marcel Utz
Published in: Analytical Chemistry, Issue 15206882, 2022, ISSN 1520-6882
Publisher: ACS Publications
DOI: 10.1021/acs.analchem.1c05030

Zero-Field NMR J -Spectroscopy of Organophosphorus Compounds

Author(s): Seyma Alcicek, Piotr Put, Vladimir Kontul, Szymon Pustelny
Published in: The Journal of Physical Chemistry Letters, Issue 12/2, 2021, Page(s) 787-792, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.0c03532

Rapid hyperpolarization and purification of the metabolite fumarate in aqueous solution

Author(s): Stephan Knecht, John W. Blanchard, Danila Barskiy, Eleonora Cavallari, Laurynas Dagys, Erik Van Dyke, Maksim Tsukanov, Bea Bliemel, Kerstin Münnemann, Silvio Aime, Francesca Reineri, Malcolm H. Levitt, Gerd Buntkowsky, Alexander Pines, Peter Blümler, Dmitry Budker, James Eills
Published in: Proceedings of the National Academy of Sciences, Issue 118/13, 2021, Page(s) e2025383118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2025383118

Hyperpolarized NMR Metabolomics at Natural 13C Abundance

Author(s): Arnab Dey, Benoît Charrier, Estelle Martineau, Catherine Deborde, Elodie Gandriau, Annick Moing, Daniel Jacob, Dmitry Eshchenko, Marc Schnell, Roberto Melzi, Dennis Kurzbach, Morgan Ceillier, Quentin Chappuis, Samuel F. Cousin, James G. Kempf, Sami Jannin, Jean-Nicolas Dumez, Patrick Giraudeau
Published in: Analytical Chemistry, Issue 15206882, 2020, ISSN 1520-6882
Publisher: ACS Publications
DOI: 10.1021/acs.analchem.0c03510

Direct observation of hyperpolarization breaking through the spin diffusion barrier

Author(s): QUENTIN STERN, SAMUEL FRANÇOIS COUSIN, MENTINK-VIGIER, CÉSAR PINONSTUART JAMES ELLIOTT, Olivier CALA, SAMI JANNIN
Published in: SCIENCE ADVANCES, Issue 23752548, 2021, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abf5735

Nuclear singlet relaxation by chemical exchange

Author(s): Christian Bengs, Laurynas Dagys, Gamal A. I. Moustafa, James W. Whipham, Mohamed Sabba, Alexey S. Kiryutin, Konstantin L. Ivanov, Malcolm H. Levitt
Published in: The Journal of Chemical Physics, Issue 00219606, 2021, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0066182

Fast-field-cycling ultralow-field nuclear magnetic relaxation dispersion

Author(s): Sven Bodenstedt, Morgan W. Mitchell, Michael C. D. Tayler
Published in: Nature Communications, Issue 20411723, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-24248-9

Long-Lived Ensembles of Shallow NV– Centers in Flat and Nanostructured Diamonds by Photoconversion

Author(s): Federico Gorrini,Carla Dorigoni, Domingo Olivares-Postigo, Rakshyakar Giri, Pietro Aprà, Federico Picollo, Angelo Bifone
Published in: ACS applied materials & interfaces, Issue 19448244, 2021, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.1c09825

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