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Publications

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All Journal Articles

Computation of Overhauser Dynamic Nuclear Polarization processes reveals fundamental correlation between water dynamics, structure, and solvent restructuring entropy

D. C. Robinson Brown, T. R. Webber, T. M. Casey, J. M. Franck, M. S. Shell and S. Han, Phys. Chem. Chem. Phys., 2024,
DOI:10.1039/D4CP00030G

Bridging the Gap in Cryopreservation Mechanism: Unraveling the Interplay between Structure, Dynamics, and Thermodynamics in Cryoprotectant Aqueous Solutions

Das Mahanta, Debasish; Robinson Brown, Dennis; Webber, Thomas; Pezzotti, Simone; Schwaab, Gerhard; Han, Songi; Shell, M. Scott; Havenith, Martina. Bridging the Gap in Cryopreservation Mechanism: Unraveling the Interplay between Structure, Dynamics, and Thermodynamics in Cryoprotectant Aqueous Solutions. The Journal of Physical Chemistry 2024

Spectroscopically Orthogonal Spin Labels in Structural Biology at Physiological Temperatures

M. Teucher, S. Kucher, M. Hadi Timachi, C. Blake Wilson, Dariusz Śmiłowicz, R. Stoll, Nils Metzler-Nolte, M. S. Sherwin, S. Han, Enrica Bordignon. Spectroscopically Orthogonal Spin Labels in Structural Biology at Physiological Temperatures. The Journal of Physical Chemistry B 2023, 127 (30), 6668–6674.

https://doi.org/10.1021/acs.jpcb.3c04497

Spectroscopically Dark Phosphate Features Revealed by Chemical Exchange Saturation Transfer

J. Lu, J. S. Straub, M. S. Nowotarski, S. Han, X. Xu, J. Alexej. NMR in Biomedicine 2023.

https://doi.org/10.1002/nbm.5057

Local Solvation Structures Govern the Mixing Thermodynamics of Glycerol–Water Solutions

D. D. Mahanta, D. Robinson Brown, S. Pezzotti, S. Han, G. Schwaab, M. Scott Shell, M. Havenith. Chemical Science 2023, 14 (26), 7381–7392.

https://doi.org/10.1039/D3SC00517H

Nanoscale Water–Polymer Interactions Tune Macroscopic Diffusivity of Water in Aqueous Poly(Ethylene Oxide) Solutions

J. D. Moon, T. R. Webber, D. R. Brown, P. M. Richardson, T. M. Casey, R. A. Segalman, M. S. Shell, S. Han. Chemical Science 202415 (7), 2495–2508.

https://doi.org/10.1039/D3SC05377F

Precision Proteoform Design for 4R Tau Isoform Selective Templated Aggregation

A. P. Longhini, A. DuBose, S. Lobo, V. Vijayan, Y. Bai, E. K. Rivera, J. Sala-Jarque, A. Nikitina, D. C. Carrettiero, M. Unger, O. Sclafani, V. Fu, M. Vigers, L. Buee, I. Landrieu, S. Shell, J. E. Shea, S. Han, and K. S. Kosik bioRxiv (2023).

https://doi.org/10.1101/2023.08.31.555649

Tau P301L mutation promotes core 4R tauopathy fibril fold through near-surface water structuring and conformational rearrangement

M. P. Vigers, S. Lobo, S. Najafi, A. Dubose, K. Tsay, P. Ganguly, A. P. Longhini, Y. Jin, S. K. Buratto, K. S. Kosik, M. S. Shell, J.-E. Shea, and S. Han. bioRxiv (2023).

https://doi.org/10.1101/2023.11.28.568818

P1 Center Electron Spin Clusters Are Prevalent in Type Ib Diamonds

Bussandri, D. Shimon, A. Equbal, Y. Ren, S. Takahashi, C. Ramanathan, S.Han. J. Am. Chem. Soc. (2023)
https://doi.org/10.1021/jacs.3c06705

Multi Electron Spin Cluster Enabled Dynamic Nuclear Polarization with Sulfonated BDPA

C. Tobar, K. Albanese, R. Chaklashiya, A. Equbal, C. Hawker, and S. Han. J. Phys. Chem. Lett. 14 (2023) 11640-11650.

https://doi.org/10.1021/acs.jpclett.3c02428

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