LE
Lyndon Emsley
Solid-state NMRMagnetic Resonance SpectroscopyNMR spectroscopyProtonsdynamic nuclear polarizationDynamic nuclear polarizationMagnetic Resonance Imagingphysics.chem-phNuclear Magnetic Resonance, Biomolecularsolid-state NMR
On Valency
published · living versionsW_4phd5q2e·v1 · currentpublished
Robust nuclear hyperpolarization of small molecules through intermolecular transfer of parahydrogen-derived polarization
with Bogdan A. Rodin, Anna Parker, Laurynas Dagys, Vitaly Kozinenko +10
1 version
W_he8wu28x·v1published
Preprints & journals
358 papers in the corpus · 1989–2026Atomic-level structure of an amorphous solid dispersion10.26434/chemrxiv.15010694/v1 · Jacob B. Holmes, Daria Torodii, Tommaso Casalini et al.2026 · 0 citationsChemRxiv
Up to 16% Optical Carbon-13 Hyperpolarization of Donor-Acceptor Molecules at 14.1 T.42703889 · Levien, Marcel, Visegrádi, Máté, Karthikeyan, Ganesan et al.2026 · 0 citationsAngewandte Chemie (International ed. in English). 2026;65(44)
Machine-Learned NMR Shieldings in Molecular Solids with Built-In Hybrid-Functional Molecular Corrections2608.21313v1 · Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes et al.2026 · 0 citationsarXivon Valency
Robust nuclear hyperpolarization of small molecules through intermolecular transfer of parahydrogen-derived polarization2607.11723v1 · Bogdan A. Rodin, Anna Parker, Laurynas Dagys et al.2026 · 0 citationsarXivon Valency
Tracking the Early Hydration Reaction of Cementitious Calcium Silicate Hydrate via DNP-Enhanced Solid-State NMR.42370422 · Cowen, X Ray, Georges, Tristan, Holmes, Jacob B et al.2026 · 0 citationsJournal of the American Chemical Society. 2026;148(27):28948-28955
In Situ Light-Induced Degradation of Hybrid Perovskites by NMR Spectroscopy.42115828 · Gunes, Ummugulsum, Georges, Tristan, De Biasi, Federico et al.2026 · 0 citationsJournal of the American Chemical Society. 2026;148(20):20851-20859
Halide Mixing Determines the Organic Structure in 2D Layered Perovskites.41949445 · Gunes, Ummugulsum, Cordova, Manuel, Georges, Tristan et al.2026 · 0 citationsThe journal of physical chemistry letters. 2026;17(16):4741-4747
Quantum-corrected NMR crystallography at scale2603.06236v2 · Matthias Kellner, Ruben Rodriguez-Madrid, Jacob B. Holmes et al.2026 · 0 citationsarXiv
Rapid Assignment of Chemical Shifts From Crystal Structures in Solid-State NMR.41733200 · Rodriguez-Madrid, Ruben, Holmes, Jacob Brian, Emsley, Lyndon2026 · 0 citationsAngewandte Chemie (International ed. in English). 2026;65(14):e25558
Surface-Only Nuclear Magnetic Resonance Spectroscopy by Dynamic Nuclear Polarization and 2H-Dephasing.41637215 · Georges, Tristan, Wei, Ran, Cowen, X Ray et al.2026 · 1 citationJournal of the American Chemical Society. 2026;148(6):6591-6601
Kinetic photocycle description of photochemically induced dynamic nuclear polarization for dye-sensitized solid-state NMR spectroscopy.41460650 · De Biasi, Federico, Visegrádi, Máté, Levien, Marcel et al.2025 · 3 citationsThe Journal of chemical physics. 2025;163(24)
Determination of key functional structures of an amorphous VHL-based SMARCA2 PROTAC.41184304 · Torodii, Daria, Holmes, Jacob B, Cordova, Manuel et al.2025 · 5 citationsNature communications. 2025;16(1):9694
Polar Triptycene-Based Nonmetal Organic Frameworks Show Enhanced Hydrogen Adsorption.41099168 · O'Shaughnessy, Megan, Qu, Hang, Wang, Xue et al.2026 · 7 citationsJournal of the American Chemical Society. 2025;147(43):39351-39358
In-situ boundary bridging unlocks multi-grain-domain carrier diffusion in polycrystalline metal halide perovskites.41034199 · Wang, Minhuan, Yin, Yanfeng, Wang, Pengfei et al.2025 · 7 citationsNature communications. 2025;16(1):8755
A Deep Learning Model for Chemical Shieldings in Molecular Organic Solids Including Anisotropy.40825152 · Kellner, Matthias, Holmes, Jacob B, Rodriguez-Madrid, Ruben et al.2025 · 12 citationsThe journal of physical chemistry letters. 2025;16(34):8714-8722
Structural changes of cinnarizine-stabilizer core-shell nano- and micro-suspensions following freeze- and spray-drying determined from dynamic nuclear polarization enhanced NMR.40706800 · Badoni, Saumya, Wei, Ran, Vidal, Maria Adobes et al.2025 · 3 citationsJournal of pharmaceutical sciences. 2025;114(10):103915
Surface Enhanced Nuclear Magnetic Resonance Spectroscopy at Solid-Liquid Interfaces Using Overhauser Dynamic Nuclear Polarization.40518620 · Rao, Yu, Gioffrè, Domenico, Levien, Marcel et al.2025 · 9 citationsJournal of the American Chemical Society. 2025;147(25):21297-21301
Systematic Evaluation of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR.40418626 · Wei, Ran, Casano, Gilles, Zhang, Yuxuan et al.2026 · 12 citationsAngewandte Chemie (International ed. in English). 2025;64(31):e202505944
Dopamine Dopes the Performance of Perovskite Solar Cells.40454938 · Ansari, Fatemeh, Zheng, Likai, Pfeifer, Lukas et al.2025 · 52 citationsAdvanced materials (Deerfield Beach, Fla.). 2025;37(33):e2501075
Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist.40331906 · Torodii, Daria, Cordova, Manuel, Holmes, Jacob B et al.2025 · 6 citationsJournal of the American Chemical Society. 2025;147(20):17077-17087
Strain-induced rubidium incorporation into wide-bandgap perovskites reduces photovoltage loss.40179180 · Zheng, Likai, Wei, Mingyang, Eickemeyer, Felix T et al.2025 · 134 citationsScience (New York, N.Y.). 2025;388(6742):88-95
Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography.39291342 · Holmes, Jacob B, Torodii, Daria, Balodis, Martins et al.2025 · 17 citationsFaraday discussions. 2025;255(0):342-354
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning.39297322 · Torodii, Daria, Holmes, Jacob B, Moutzouri, Pinelopi et al.2025 · 12 citationsFaraday discussions. 2025;255(0):143-158
Spiers Memorial Lecture: NMR crystallography.39405130 · Emsley, Lyndon2026 · 19 citationsFaraday discussions. 2025;255(0):9-45
Challenges and opportunities for NMR calculations: general discussion.39629691 · Ashbrook, Sharon E, Beran, Gregory J O, Blahut, Jan et al.2026 · 1 citationFaraday discussions. 2025;255(0):288-310
Generating models that describe complex disorder: general discussion.39635722 · Ashbrook, Sharon E, Blanc, Frédéric, Brown, Steven P et al.2026 · 1 citationFaraday discussions. 2025;255(0):391-410
Big data and simulations in NMR crystallography: general discussion.39641196 · Ashbrook, Sharon E, Beran, Gregory J O, Blahut, Jan et al.2026 · 1 citationFaraday discussions. 2025;255(0):159-191
Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy.39738036 · Torodii, Daria, Holmes, Jacob B, Grohe, Kristof et al.2025 · 6 citationsNature communications. 2024;15(1):10799
1H-19F cross-polarization magic angle spinning dynamic nuclear polarization NMR investigation of advanced pharmaceutical formulations.39793183 · Šoltésová, Mária, Pinon, Arthur C, Aussenac, Fabien et al.2025 · 6 citationsJournal of magnetic resonance (San Diego, Calif. : 1997). 2025;371:107827
Solid Effect Dynamic Nuclear Polarization Enhancement of >500 at 9.4 T.39656937 · Wei, Ran, Rao, Yu, Venkatesh, Amrit et al.2024 · 5 citationsThe journal of physical chemistry letters. 2024;15(50):12408-12415
Formamidinium Incorporates into Rb-based Non-Perovskite Phases in Solar Cell Formulations.39431515 · Gunes, Ummugulsum, Hope, Michael A, Zhang, Yuxuan et al.2025 · 5 citationsAngewandte Chemie (International ed. in English). 2025;64(5):e202416938
An Efficient and Stable Polarizing Agent for In-Cell Magic-Angle Spinning Dynamic Nuclear Polarization NMR Spectroscopy.39528911 · Rao, Yu, Berruyer, Pierrick, Bertarello, Andrea et al.2024 · 6 citationsThe journal of physical chemistry letters. 2024;15(46):11601-11607
Mechanism of Solid-State 1H Photochemically Induced Dynamic Nuclear Polarization in a Synthetic Donor-Chromophore-Acceptor at 0.3 T.39471392 · Levien, Marcel, De Biasi, Federico, Karthikeyan, Ganesan et al.2024 · 6 citationsThe journal of physical chemistry letters. 2024;15(44):11097-11103
Light-Induced Metallic and Paramagnetic Defects in Halide Perovskites from Magnetic Resonance.39416673 · Mishra, Aditya, Hope, Michael A, Emsley, Lyndon2024 · 26 citationsACS energy letters. 2024;9(10):5074-5080
Efficient DNP at high fields and fast MAS with antenna-sensitized dinitroxides.39309076 · Niccoli, Lorenzo, Casano, Gilles, Menzildjian, Georges et al.2026 · 17 citationsChemical science. 2024;15(40):16582-16593
Stabilization of highly efficient perovskite solar cells with a tailored supramolecular interface.39164254 · Zhao, Chenxu, Zhou, Zhiwen, Almalki, Masaud et al.2024 · 60 citationsNature communications. 2024;15(1):7139
Maximizing Relayed 1H Hyperpolarization Transfer by Slow-Fast MAS NMR Spectroscopy.39120636 · Badoni, Saumya, Berruyer, Pierrick, Niccoli, Lorenzo et al.2024 · 1 citationThe journal of physical chemistry. A. 2024;128(33):7005-7012
Observation of Transient Prenucleation Species of Calcium Carbonate by DNP-Enhanced NMR.39074399 · Balodis, Martins, Rao, Yu, Stevanato, Gabriele et al.2024 · 12 citationsThe journal of physical chemistry letters. 2024;15(31):7954-7961
Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR.39156713 · Hope, Michael A, Mishra, Aditya, Emsley, Lyndon2024 · 3 citationsChemistry of materials : a publication of the American Chemical Society. 2024;36(15):7525-7532
Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T.39007869 · De Biasi, Federico, Karthikeyan, Ganesan, Visegrádi, Máté et al.2024 · 19 citationsJournal of the American Chemical Society. 2024;146(29):19667-19672
Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T.38748557 · De Biasi, Federico, Hope, Michael A, Qiu, Yunfan et al.2024 · 17 citationsThe journal of physical chemistry letters. 2024;15(20):5488-5494
Probing Homogeneous Catalysts and Precatalysts in Solution by Exchange-Mediated Overhauser Dynamic Nuclear Polarization NMR.38685488 · Rao, Yu, De Biasi, Federico, Wei, Ran et al.2024 · 9 citationsJournal of the American Chemical Society. 2024;146(18):12587-12594
Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3.38548624 · Kubicki, Dominik J, Prochowicz, Daniel, Hofstetter, Albert et al.2024 · 32 citationsJournal of the American Chemical Society. 2024;146(14):9554-9563
Axial-Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic-Anisotropic 207 Pb NMR.38305510 · Hope, Michael A, Cordova, Manuel, Mishra, Aditya et al.2024 · 12 citationsAngewandte Chemie (International ed. in English). 2024;63(13):e202314856
Optimal sensitivity for 1H detected relayed DNP of organic solids at fast MAS.38401477 · Badoni, Saumya, Berruyer, Pierrick, Emsley, Lyndon2024 · 3 citationsJournal of magnetic resonance (San Diego, Calif. : 1997). 2024;360:107645
Rational Design of Dinitroxide Polarizing Agents for Dynamic Nuclear Polarization to Enhance Overall NMR Sensitivity.38193258 · Venkatesh, Amrit, Casano, Gilles, Wei, Ran et al.2024 · 30 citationsAngewandte Chemie (International ed. in English). 2024;63(9):e202317337
Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy.37782000 · Berruyer, Pierrick, Lindkvist, Maria, Gracin, Sandra et al.2023 · 6 citationsMolecular pharmaceutics. 2023;20(11):5682-5689
Barriers to resolution in 1H NMR of rotating solids.37776831 · Simões de Almeida, Bruno, Torodii, Daria, Moutzouri, Pinelopi et al.2026 · 20 citationsJournal of magnetic resonance (San Diego, Calif. : 1997). 2023;355:107557
Atomic-level structure determination of amorphous molecular solids by NMR.37612269 · Cordova, Manuel, Moutzouri, Pinelopi, Nilsson Lill, Sten O et al.2023 · 60 citationsNature communications. 2023;14(1):5138
Chemical Shift-Dependent Interaction Maps in Molecular Solids.37440302 · Cordova, Manuel, Emsley, Lyndon2023 · 15 citationsJournal of the American Chemical Society. 2023;145(29):16109-16117
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