Publications

Badoni, S., Terlecki, M., Carret, S., Poisson, J.-F., Charpentier, T., Okuno, H., Wolska-Pietkiewicz, M., Lee, D., Lewiński, J. & De Paëpe, G. Atomic-Level Structure of the Organic-Inorganic Interface of Colloidal ZnO Nanoplatelets from Dynamic Nuclear Polarization-Enhanced NMR. J. Am. Chem. Soc. 146, 27655–27667 (2024).

Patranika, T., Märker, K., Paul, S., Naylor, A. J., Mindemark, J., Edström, K. & Hernández, G. Interaction of Boron-Based Cross-Linkers with Polymer Binders for Silicon Anodes in Lithium-Ion Batteries. ACS Appl. Polym. Mater. (2024). http://doi.org/10.1021/acsapm.4c01523

Olejnik‐Fehér, N., Jędrzejewska, M., Wolska‐Pietkiewicz, M., Lee, D., Paëpe, G. D. & Lewiński, J. On the Fate of Lithium Ions in Sol–Gel Derived Zinc Oxide Nanocrystals. Small 2309984 (2024). http://doi.org/10.1002/smll.202309984

Nelson, A., Papawassiliou, W., Paul, S., Hediger, S., Hung, I., Gan, Z., Venkatesh, A., Franks, W. T. T., Smith, M. E. E., Gajan, D., De Paëpe, G., Bonhomme, C., Laurencin, D. & Gervais, C. Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography. Faraday Discuss. 10.1039.D4FD00108G (2024). http://doi.org/10.1039/D4FD00108G

Harrabi, R., Halbritter, T., Alarab, S., Chatterjee, S., Wolska-Pietkiewicz, M., Damodaran, K. K., Van Tol, J., Lee, D., Paul, S., Hediger, S., Sigurdsson, S. Th., Mentink-Vigier, F. & De Paëpe, G. AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents. Phys. Chem. Chem. Phys. 26, 5669–5682 (2024).

Lee, D., Banda, H., Périé, S., Marcucci, C., Chenavier, Y., Dubois, L., Taberna, P.-L., Simon, P., De Paëpe, G. & Duclairoir, F. Revealing Electrolytic Ion Sorption in Layered Graphene Galleries through Low-Temperature Solid-State NMR. Chem. Mater. 35, 3841–3848 (2023).

Fu, Y., Yao, Y., Forse, A. C., Li, J., Mochizuki, K., Long, J. R., Reimer, J. A., De Paëpe, G. & Kong, X. Solvent-derived defects suppress adsorption in MOF-74. Nat Commun 14, 2386 (2023).

Kumar, A., Watbled, B., Baussanne, I., Hediger, S., Demeunynck, M. & De Paëpe, G. Optimizing chemistry at the surface of prodrug-loaded cellulose nanofibrils with MAS-DNP. Commun Chem 6, 58 (2023).

Paul, S., Bouleau, E., Reynard-Feytis, Q., Arnaud, J.-P., Bancel, F., Rollet, B., Dalban-Moreynas, P., Reiter, C., Purea, A., Engelke, F., Hediger, S. & De Paëpe, G. Sustainable and cost-effective MAS DNP-NMR at 30 K with cryogenic sample exchange. Journal of Magnetic Resonance 356, 107561 (2023).

Smith, A. N., Harrabi, R., Halbritter, T., Lee, D., Aussenac, F., Van Der Wel, P. C. A., Hediger, S., Sigurdsson, S. Th. & De Paëpe, G. Fast magic angle spinning for the characterization of milligram quantities of organic and biological solids at natural isotopic abundance by 13C–13C correlation DNP-enhanced NMR. Solid State Nuclear Magnetic Resonance 123, 101850 (2023).

Halbritter, T., Harrabi, R., Paul, S., Van Tol, J., Lee, D., Hediger, S., Sigurdsson, S. Th., Mentink-Vigier, F. & De Paëpe, G. PyrroTriPol: a semi-rigid trityl-nitroxide for high field dynamic nuclear polarization. Chem. Sci. 14, 3852–3864 (2023).

Chow, W. Y., De Paëpe, G. & Hediger, S. Biomolecular and Biological Applications of Solid-State NMR with Dynamic Nuclear Polarization Enhancement. Chem. Rev. 122, 9795–9847 (2022).

Cattoën, X., Kumar, A., Dubois, F., Vaillant, C., Matta-Seclén, M., Leynaud, O., Kodjikian, S., Hediger, S., De Paëpe, G. & Ibanez, A. Sonocrystallization of CMONS Needles and Nanocubes: Mechanistic Studies and Advanced Crystallinity Characterization by Combining X-ray and Electron Diffractions with DNP-Enhanced NMR. Crystal Growth & Design 22, 2181–2191 (2022).

Harrabi, R., Halbritter, T., Aussenac, F., Dakhlaoui, O., Van Tol, J., Damodaran, K. K., Lee, D., Paul, S., Hediger, S., Mentink‐Vigier, F., Sigurdsson, S. Th. & De Paëpe, G. Highly Efficient Polarizing Agents for MAS‐DNP of Proton‐Dense Molecular Solids. Angew Chem Int Ed 61, e202114103 (2022).

Terlecki, M., Badoni, S., Leszczyński, M. K., Gierlotka, S., Justyniak, I., Okuno, H., Wolska‐Pietkiewicz, M., Lee, D., De Paëpe, G. & Lewiński, J. ZnO Nanoplatelets with Controlled Thickness: Atomic Insight into Facet‐Specific Bimodal Ligand Binding Using DNP NMR. Adv. Funct. Mater. 31, 2105318 (2021).

Gauto, D., Dakhlaoui, O., Marin-Montesinos, I., Hediger, S. & De Paëpe, G. Targeted DNP for biomolecular solid-state NMR. Chemical Science 12, 6223–6237 (2021).

Duong, N. T., Lee, D., Mentink-Vigier, F., Lafon, O. & De Paëpe, G. On the use of radio-frequency offsets for improving double-quantum homonuclear dipolar recoupling of half-integer-spin quadrupolar nuclei. Magnetic Resonance in Chemistry 59, 991–1008 (2021).

Kumar, A., Durand, H., Zeno, E., Balsollier, C., Watbled, B., Sillard, C., Fort, S., Baussanne, I., Belgacem, N., Lee, D., Bras, J., De Paëpe, G., Hediger, S., Demeunynck, M., Bras, J. & De Paëpe, G. The surface chemistry of a nanocellulose drug carrier unravelled by MAS-DNP. Chemical Science 11, 3868–3877 (2020).

Smith, A. N., Märker, K., Hediger, S. & De Paëpe, G. Natural Isotopic Abundance 13 C and 15 N Multidimensional Solid-State NMR Enabled by Dynamic Nuclear Polarization. The Journal of Physical Chemistry Letters 10, 4652–4662 (2019).

Brownbill, N. J., Lee, D., De Paëpe, G. & Blanc, F. Detection of the Surface of Crystalline Y 2 O 3 Using Direct 89 Y Dynamic Nuclear Polarization. The Journal of Physical Chemistry Letters 10, 3501–3508 (2019).

Banda, H., Périé, S., Daffos, B., Taberna, P.-L., Dubois, L., Crosnier, O., Simon, P., Lee, D., De Paëpe, G. & Duclairoir, F. Sparsely Pillared Graphene Materials for High-Performance Supercapacitors: Improving Ion Transport and Storage Capacity. ACS Nano 13, 1443–1453 (2019).

Marin-Montesinos, I., Goyard, D., Gillon, E., Renaudet, O., Imberty, A., Hediger, S. & De Paëpe, G. Selective high-resolution DNP-enhanced NMR of biomolecular binding sites. Chemical Science 10, 3366–3374 (2019).

Lee, D., Wolska-Pietkiewicz, M., Badoni, S., Grala, A., Lewiński, J. & De Paëpe, G. Disclosing Interfaces of ZnO Nanocrystals Using Dynamic Nuclear Polarization: Sol-Gel versus Organometallic Approach. Angewandte Chemie - International Edition 58, 17163–17168 (2019).

Mentink Vigier, F., Barra, A.-L., van Tol, J., Hediger, S., Lee, D. & De Paëpe, G. De novo prediction of cross-effect efficiency for magic angle spinning dynamic nuclear polarization. Physical Chemistry Chemical Physics 18, 1–636 (2019).

Smith, A. N., Märker, K., Piretra, T., Boatz, J. C., Matlahov, I., Kodali, R., Hediger, S., Van Der Wel, P. C. A. & De Paëpe, G. Structural Fingerprinting of Protein Aggregates by Dynamic Nuclear Polarization-Enhanced Solid-State NMR at Natural Isotopic Abundance. Journal of the American Chemical Society 140, 14576–14580 (2018).

Hediger, S., Lee, D., Mentink-Vigier, F. & De Paëpe, G. MAS-DNP Enhancements: Hyperpolarization, Depolarization, and Absolute Sensitivity. eMagRes 7, 105–116 (2018).

Mentink-Vigier, F., Marin-Montesinos, I., Jagtap, A. P., Halbritter, T., Van Tol, J., Hediger, S., Lee, D., Sigurdsson, S. T. & De Paëpe, G. Computationally Assisted Design of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR: The AsymPol Family. Journal of the American Chemical Society 140, 11013–11019 (2018).

Lee, D., Leroy, C., Crevant, C., Bonhomme-Coury, L., Babonneau, F., Laurencin, D., Bonhomme, C. & De Paëpe, G. Interfacial Ca2+ environments in nanocrystalline apatites revealed by dynamic nuclear polarization enhanced 43Ca NMR spectroscopy. Nature Communications 8, 14104 (2017).

Lee, D., Chaudhari, S. R. & De Paëpe, G. Solvent signal suppression for high-resolution MAS-DNP. Journal of Magnetic Resonance 278, 60–66 (2017).

Bouleau, E., Lee, D., Saint-Bonnet, P., Hediger, S. & De Paëpe, G. Ultra-Low Temperature Nuclear Magnetic Resonance. in 171, (2017).

Mentink-Vigier, F., Vega, S. & De Paëpe, G. Fast and accurate MAS–DNP simulations of large spin ensembles. Physical Chemistry Chemical Physics 19, 3506–3522 (2017).

Vallee, Y., Shalayel, I., Ly, K.-D., Raghavendra Rao, K. V., De Paëpe, G., Märker, K. & Milet, A. At the very beginning of life on earth: The thiol-rich peptide (TRP) world hypothesis. International Journal of Developmental Biology 61, 471–478 (2017).

Märker, K., Paul, S., Fernández-De-Alba, C., Lee, D., Mouesca, J.-M., Hediger, S. & De Paëpe, G. Welcoming natural isotopic abundance in solid-state NMR: probing π-stacking and supramolecular structure of organic nanoassemblies using DNP. Chemical Science 8, 974–987 (2017).

Mentink-Vigier, F., Mathies, G., Liu, Y., Barra, A.-L., Caporini, M. A., Lee, D., Hediger, S., Griffin, R. & De Paëpe, G. Efficient cross-effect dynamic nuclear polarization without depolarization in high-resolution MAS NMR. Chemical Science 8, 8150–8163 (2017).

Märker, K., Hediger, S. & De Paëpe, G. Efficient 2D double-quantum solid-state NMR spectroscopy with large spectral widths. Chemical Communications 53, 9155–9158 (2017).

Lee, D., Bouleau, E., Saint-Bonnet, P., Hediger, S. & De Paëpe, G. Ultra-low temperature MAS-DNP. Journal of Magnetic Resonance 264, 116–124 (2016).

Märker, K., Pingret, M., Mouesca, J.-M., Gasparutto, D., Hediger, S. & De Paëpe, G. A New Tool for NMR Crystallography: Complete ¹³ C/ ¹⁵ N Assignment of Organic Molecules at Natural Isotopic Abundance Using DNP-Enhanced Solid-State NMR. J. Am. Chem. Soc. 137, 13796–13799 (2015).

Lee, D., Hediger, S. & De Paëpe, G. Is solid-state NMR enhanced by dynamic nuclear polarization? Solid State Nuclear Magnetic Resonance 66–67, 6–20 (2015).

Paul, S., Takahashi, H., Hediger, S. & De Paëpe, G. in Annual Reports on NMR Spectroscopy 85, 93–142 (Elsevier, 2015).

Lee, D., Kaushik, M., Coustel, R., Chenavier, Y., Chanal, M., Bardet, M., Dubois, L., Okuno, H., Rochat, N., Duclairoir, F., Mouesca, J.-M. & De Paëpe, G. Solid-State NMR and DFT Combined for the Surface Study of Functionalized Silicon Nanoparticles. Chemistry - A European Journal 21, 16047–16058 (2015).

Fernández-de-Alba, C., Takahashi, H., Richard, A., Chenavier, Y., Dubois, L., Maurel, V., Lee, D., Hediger, S. & De Paëpe, G. Matrix-Free DNP-Enhanced NMR Spectroscopy of Liposomes Using a Lipid-Anchored Biradical. Chemistry - A European Journal 21, 4512–4517 (2015).

Mentink-Vigier, F., Paul, S., Lee, D., Feintuch, A., Hediger, S., Vega, S. & De Paëpe, G. Nuclear depolarization and absolute sensitivity in magic-angle spinning cross effect dynamic nuclear polarization. Physical Chemistry Chemical Physics 17, 21824–21836 (2015).

Bouleau, E., Saint-Bonnet, P., Mentink-Vigier, F., Takahashi, H., Jacquot, J.-F., Bardet, M., Aussenac, F., Purea, A., Engelke, F., Hediger, S., Lee, D. & De Paëpe, G. Pushing NMR sensitivity limits using dynamic nuclear polarization with closed-loop cryogenic helium sample spinning. Chemical Science 6, 6806–6812 (2015).

Blanc, F., Sperrin, L., Lee, D., Dervişoǧlu, R., Yamazaki, Y., Haile, S. M., De Paëpe, G. & Grey, C. P. Dynamic nuclear polarization NMR of low-$γ$ nuclei: Structural insights into hydrated yttrium-doped BaZrO3. Journal of Physical Chemistry Letters 5, 2431–2436 (2014).

Takahashi, H., Fernández-De-Alba, C., Lee, D., Maurel, V., Gambarelli, S., Bardet, M., Hediger, S., Barra, A.-L. L. A.-L. & De Paëpe, G. Optimization of an absolute sensitivity in a glassy matrix during DNP-enhanced multidimensional solid-state NMR experiments. Journal of Magnetic Resonance 239, 91–99 (2014).

Lee, D., Monin, G., Duong, N. T., Lopez, I. Z., Bardet, M., Mareau, V., Gonon, L. & De Paëpe, G. Untangling the condensation network of organosiloxanes on nanoparticles using 2D 29Si-29Si solid-state NMR enhanced by dynamic nuclear polarization. Journal of the American Chemical Society 136, 13781–13788 (2014).

Lee, D., Duong, N. T., Lafon, O. & De Paëpe, G. Primostrato solid-state NMR enhanced by dynamic nuclear polarization: Pentacoordinated Al3+ ions are only located at the surface of hydrated γ-alumina. Journal of Physical Chemistry C 118, 25065–25076 (2014).

Takahashi, H., Viverge, B., Lee, D., Rannou, P. & De Paëpe, G. Towards Structure Determination of Self-Assembled Peptides Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. Angew. Chem. Int. Ed. 52, 6979–6982 (2013).

Takahashi, H., Ayala, I., Bardet, M., De Paëpe, G., Simorre, J.-P. & Hediger, S. Solid-state NMR on bacterial cells: Selective cell wall signal enhancement and resolution improvement using dynamic nuclear polarization. Journal of the American Chemical Society 135, 5105–5110 (2013).

Buzlukov, A., Gerbaud, G., Bourbon, C., Hediger, S., De Paëpe, G., Patoux, S. & Bardet, M. Application of 7Li NMR to characterize the evolution of intercalated and non-intercalated lithium in LiFePO4-based materials for Li-ion batteries. Journal of Solid State Electrochemistry 17, 1421–1427 (2013).

Giffard, M., Hediger, S., Lewandowski, J. R., Bardet, M., Simorre, J.-P., Griffin, R. G. & De Paëpe, G. Compensated second-order recoupling: application to third spin assisted recoupling. Physical chemistry chemical physics : PCCP 14, 7246–7255 (2012).

De Paëpe, G. Dipolar recoupling in magic angle spinning solid-state nuclear magnetic resonance. Annual review of physical chemistry 63, 661–684 (2012).

De Paëpe, G. & Gambarelli, S. High field dynamic nuclear polarization and electron paramagnetic resonance | Polarisation dynamique nucléaire à haut champ magnétique et résonance paramagnétique électronique. Actualite Chimique 111–116 (2012).

De Paëpe, G. Hyperpolarization in magnetic resonance special focus on high field MAS DNP. in EPJ Web of Conferences 30, (2012).

Bardet, M., Gerbaud, G., Doan, C., Giffard, M., Hediger, S., De Paëpe, G. & Trân, Q.-K. Dynamics property recovery of archaeological-wood fibers treated with polyethylene glycol demonstrated by high-resolution solid-state NMR. Cellulose 19, 1537–1545 (2012).