For characterization of biomedically relevant organic, organometallic and polymeric molecules

The 500 MHz NMR with iProbe, installed in early 2022, can perform a wide range of 1D and 2D experiments. Because of the iProbe coil configuration, 1H{19F}, 19F{1H}, and 1H–19F correlation experiments are also possible. This instrument currently enables advancements in small-molecule drug discovery, carbohydrate and peptide chemistry.

The iProbe can perform experiments at temperatures from -150 to 150 °C. The instrument is equipped with a 24-position sample changer for easy sample loading or for overnight collection of longer experiments using the automation features of the software. Researchers can submit samples for analysis or undergo training.

Location

A. Paul Schaap Chemistry Building, Room 040 (NMR Lab)

Statement of acknowledgment

The Bruker Avance NEO 500 MHz NMR was funded through the National Institutes of Health (NIH) supplement grant. Please acknowledge the use of this instrument in your publications, presentations, and dissertations. A suggested statement can read: "This work made use of the Bruker Avance NEO 500 MHz NMR that is funded by the National Institutes of Health (S10OD028488)."

Publications

• Denison, M.; Garcia, S.P.; Ullrich, A.; Podgorski, I.; Gibosn, H.; Turro, C.; Kodanko, J.J. Ruthenium- Cathepsin Inhibitor Conjugates for Green Light-Activated Photodynamic Therapy and Photochemotherapy. Inorg. Chem.  2024, 17, 7973–7983
• Subasinghe, S. A. A. S.; Ortiz, C. J.; Romero, J.; Ward, C. L.; Sertage, A. G.; Kurenbekova, L.; Yustein, J. T.; Pautler, R. G.; Allen, M. J. Toward quantification of hypoxia using fluorinated Eu(II/III)-containing ratiometric probes. Proc. Natl. Acad. Sci. U.S.A. 2023, 120, e2220891120
• Lutter, J. C.; Batchev, A. L.; Ortiz, C. J.; Sertage, A. G.; Romero, J.; Subasinghe, S. A. A. S.; Pedersen, S. E.; Samee, M. A. H.; Pautler, R. G.; Allen, M. J. Outersphere approach to increasing the persistence of oxygen-sensitive europium(II)-containing contrast agents for magnetic resonance imaging with perfluorocarbon nanoemulsions toward imaging of hypoxia. Adv. Healthc. Mater. 2023, 2203209
• Abdulsalam, H.; Li, J.; Loka, R. S.; Sletten, E. T.; Nguyen, H. M. Heparan Sulfate-Mimicking Glycopolymers Ben SARS-CoV-2 Spike Protein in a Length- and Sulfation Pattern-Dependent Manner. ACS Med. Chem. Lett. 2023, 14, 10, 1411–1418
• Wakpal, J.; Pathiranage, V.; Walker, A. R.; Nguyen, H. M. Rational Design and Expedient Sythesis of Heparan Sulfate Mimetics from Natural Aminoglycosides for Structure and Activity Relationship Studies. Angew. Chem. Int. Ed. 2023, 62, e202304325
• Arachchi, M.K.; Schaugaard, R.N.; Schlegel, H.B.; Nguyen, H.M. Scope and Mechanistic Probe into Asymmetric Synthesis of a-Trisubstituted-a-Tertiary Amines by Rhodium Catalysis. J. Am. Chem. Soc. 2023, 145, 36, 19642–19654
• Usman, F.O.; Gogoi, A. R.; Mixdorf, J.; Gutierrez, O.; Nguyen, H.M. Rhodium-Catalyzed Asymmetric of 1,2 Disubstituted Allylic Fluorides. Angew. Chem., Int. Ed. Engl. 2023, 27, e202314843
• Denison, M.; Ahren, J.J.; Dunbar, M.N.; Warmahaye, H.; Majeed, A.; Turro, C.; Kocarek, T.A.; Servioukova, I.; Kodanko, J.J. Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4, Inorg. Chem. 2023, 62, 7, 3305–3320
• Wannipurage, D.; A’Aniello, S.D.; Pappalardo, D.; Kulathungage, L.W.; Ward, C.; Anderson, D.P.; Groysman, S.; Mazzeo, M. Simple Magnesiu Alkoxides: synthesis, Molecular Structure, and Catalytic Behaviour in the Ring-opening polymerization of Lactide and Macrolactones and in the Copolymerization of Maleic Anhydride and Propylene Oxide, Dalton Trans., 2023, 52, 8077-8091
• Rodrigo, S.; Hazra, A.; Mahajan, J. P.; Nguyen, H. M.; Luo, L. Overcoming the Potential Window-Limited Functional Group Compatibility by Alternating Current Electrolysis. J Am Chem Soc. 2023, 145, 21851-21859
• Behera N, Gunasekera D, Mahajan JP, Frimpong J, Liu ZF, Luo L. Electrochemical hydrogen isotope exchange of amines controlled by alternating current frequency. Faraday Discuss, 2023, 247, 45-58
• Schmidt, A.B.; de Maissin, H.; Adeabu, I.; Nantogma, S.; Ettedgui, J.; TomHon, P.; Goodson, B.M; Theis, T.; Chekmenev, E.Y. Catalyst-Free Aqueous Hyperpolarized [1-¹³C]Pyruvate Obtained by Re-Dissolution Signal Amplification by Reversible Exchange. ACS Sens. 2022, 7, 11, 3430–3439
• Gunasekera D, Mahajan JP, Wanzi Y, Rodrigo S, Liu W, Tan T, Luo L. Controlling One- or Two-Electron Oxidation for Selective Amine Functionalization by Alternating Current Frequency. J Am Chem Soc. 2022, 144, 9874-9882
• Liu D, Nyakuchena J, Maity R, Geng X, Mahajan JP, Hewa-Rahinduwage CC, Peng Y, Huang J, Luo L. Quantum dot gels as efficient and unique photocatalysts for organic synthesis. Chem Commun, 2022, 58, 11260-11263