Customer Publications

“Strong field gradients enable NMR-based diffusion measurements for K⁺, Mg²⁺, Cl^– , and SO4^2/4- ions in biomolecular solutions“, Tianzhi Wang ^a, Daniel Arcos ^b, F. David Doty ^b, B. Montgomery Pettitt ^a, Junji Iwahara ^a,
^a Department of Biochemistry & Molecular Biology, Sealy Center for Structural Biology & Molecular Biophysics, University of Texas Medical Branch, Galveston, TX 77555-1068, USA
^b Doty Scientific, Inc., Columbia, SC 29229, USA

2025 Journal of Magnetic Resonance, 376 (2025) 107911. doi:10.1016/S1090-7807(25)00083-7

Long-Range Li-Ion 3D Diffusion in the High-Temperature Hexagonal Phase of LiBH₄ Studied by ⁷Li Pulsed Field Gradient NMR and MD Simulations.  Kosma Szutkowski, Dominika Tubucka, Patryk Florckak, and Danuta Kruk,  J. Phys. Chem. C, (2022).  https://pubs.acs.org/doi/full/10.1021/acs.jpcc.2c03658

      Key Findings: The self-diffusion of ⁷Li⁺ ions in LiBH₄ were determined by using pulsed-field gradient spin-echo NMR (PGSE NMR).  Lithium diffusion pathways were determined in three dimensions using molecular dynamics simulations and confirmed by ⁷Li NMR diffusometry.
      Doty Product:  5 mm H/X/lock diffusion probe with Doty Model 16-38 Z gradient for up to 3300 G/cm; 600 MHz WB magnet.

Simultaneous spatiotemporal tracking and oxygen sensing of transient implants in vivo using hot-spot MRI and machine learning. Virginia Spanoudaki, Joshua C. Doloff, Wei Huang, and Daniel G. Anderson, Proc Natl Acad Sci USA, (2019).  https://www.pnas.org/doi/full/10.1073/pnas.1815909116

      Key Findings:  Fluorine magnetic resonance imaging (¹⁹F-MRI) was used to noninvasively probe in vivo oxygen content by tracking unconstrained cellular implants and their physiological conditions in mice.  Associations were derived between changes in the spatial arrangement of the implants and their oxygen content by using unsupervised machine-learning clustering algorithms that screened for patterns over thousands of 2D images.
      Doty Product:  38 mm ID ¹H/¹⁹F dual-frequency imaging volume coil for 7 T.

Fluoride-ion-conducting Polymers: Ionic Conductivity and Fluoride Ion Diffusion Coefficient in Quaternized Polysulfones.  Pasquini L, Ziarelli F, Viel S, Di Vona ML, Knauth P., ChemPhysChem., (2015).

      Key Findings:  The self-diffusion coefficient for F^– at 40 ^oC in a polymeric fluoride ion conductor was measured to be in the in 2E-10 to 4E-10 m²/s range, depending on the type of material.  Overall, the self-diffusion coefficients obtained by NMR spectroscopy were in good agreement with those calculated from impedance spectroscopy data using the Nernst–Einstein equation.
      Doty Product:  4 mm ¹H/¹⁹F/X MAS probe with Magic Angle Gradient, 400 MHz WB magnet.