Dynamic Nuclear Polarization Pulse Sequence Engineering using Single-Spin Vector Effective Hamiltonians Article Swipe
Anders B. Nielsen
,
José Pedro Albuquerque de Carvalho
,
David Leslie Goodwin
,
Nino Wili
,
Niels Chr. Nielsen
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2024-xkfd6
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2024-xkfd6
Dynamic nuclear polarization (DNP) has proven to be a powerful technique to enhance nuclear spin polarization by transferring the much higher electron spin polarization to the nuclear spins prior to detection. While major attention has been devoted to high-field applications with continuous microwave irradiation, the introduction of fast arbitrary waveform generators is gradually increasing the opportunities to a realization of pulsed DNP. Here, we describe how static-powder DNP pulse sequences may systematically be designed using single-spin vector effective Hamiltonian theory. Particular attention is devoted to the intricate interplay between two important parts of the effective first-order Hamiltonian, namely, the linear field (single-spin) terms, and the Fourier coefficients determining scaling of the bilinear coupling terms mediating polarization transfer. We address two cases. The first operates in the regime where the microwave field amplitude is lower than the nuclear Larmor frequency. Here, we illustrate the predictive strength of single-spin vector model by comparing analytical calculations with experimental DNP results at 9.8 GHz/15 MHz on trityl radicals at 80 K. The second case operates in the high-power regime, where we combine the underlying single-spin vector design principles with numerical non-linear optimization to optimize the balance between the linear terms and the bilinear Fourier coefficients in a figure of merit function. We demonstrate, numerically and experimentally, a broadband DNP pulse sequence PLATO (PoLarizAtion Transfer via non-linear Optimization) with a bandwidth of 80 MHz and optimized for microwave field a with maximum (peak) amplitude of 32 MHz.
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- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.26434/chemrxiv-2024-xkfd6
- https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66bc9e4ea4e53c48765bcfb8/original/dynamic-nuclear-polarization-pulse-sequence-engineering-using-single-spin-vector-effective-hamiltonians.pdf
- OA Status
- gold
- Cited By
- 1
- References
- 42
- Related Works
- 10
- OpenAlex ID
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https://openalex.org/W4401649667Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.26434/chemrxiv-2024-xkfd6Digital Object Identifier
- Title
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Dynamic Nuclear Polarization Pulse Sequence Engineering using Single-Spin Vector Effective HamiltoniansWork title
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preprintOpenAlex work type
- Language
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enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-08-16Full publication date if available
- Authors
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Anders B. Nielsen, José Pedro Albuquerque de Carvalho, David Leslie Goodwin, Nino Wili, Niels Chr. NielsenList of authors in order
- Landing page
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https://doi.org/10.26434/chemrxiv-2024-xkfd6Publisher landing page
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66bc9e4ea4e53c48765bcfb8/original/dynamic-nuclear-polarization-pulse-sequence-engineering-using-single-spin-vector-effective-hamiltonians.pdfDirect link to full text PDF
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66bc9e4ea4e53c48765bcfb8/original/dynamic-nuclear-polarization-pulse-sequence-engineering-using-single-spin-vector-effective-hamiltonians.pdfDirect OA link when available
- Concepts
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Physics, Spins, Pulse sequence, Hamiltonian (control theory), Amplitude, Polarization (electrochemistry), Computational physics, Quantum mechanics, Nuclear magnetic resonance, Condensed matter physics, Chemistry, Mathematics, Mathematical optimization, Physical chemistryTop concepts (fields/topics) attached by OpenAlex
- Cited by
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1Total citation count in OpenAlex
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2024: 1Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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