Spatially-Aware Diffraction Mapping Enables Fully Autonomous MicroED
Dmitry Eremin, Kunal Jha, David Delgadillo, Hongyu Zhang, Samuel Foxman, Samuel Johnson, Niko Vlahakis, Duilio Cascio, Vincent Lavallo, Jose Rodríguez, Hosea Nelson, ChemRxiv, 2025
Dmitry Eremin, Kunal Jha, David Delgadillo, Hongyu Zhang, Samuel Foxman, Samuel Johnson, Niko Vlahakis, Duilio Cascio, Vincent Lavallo, Jose Rodríguez, Hosea Nelson, ChemRxiv, 2025
Fast event-based electron counting for small-molecule structure determination by MicroED
Niko Vlahakis, Songrong Qu, Logan S. Richards, Lygia Silva de Moraes, Duilio Cascio, Hosea M. Nelson and Jose A. Rodriguez, Struc. Chem., 2025
Niko Vlahakis, Songrong Qu, Logan S. Richards, Lygia Silva de Moraes, Duilio Cascio, Hosea M. Nelson and Jose A. Rodriguez, Struc. Chem., 2025
Comparative Study of Solvatomorphs of Stryker’s Reagent using MicroED and Quantum Mechanics
Kunal Jha, Jacob Rothbaum, Vignesh Bhethanabotla, Charles Musgrave, Chris Jones, Sergey Morozov, William Goddard, Hosea M. Nelson Angew. Chem. Int. Ed., 2025
Kunal Jha, Jacob Rothbaum, Vignesh Bhethanabotla, Charles Musgrave, Chris Jones, Sergey Morozov, William Goddard, Hosea M. Nelson Angew. Chem. Int. Ed., 2025
Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes
Niko W Vlahakis, Cameron W Flowers, Mengting Liu, Matthew Agdanowski, Samuel Johnson, Jacob A Summers, Catherine Keyser, Phoebe Russell, Samuel Rose, Julien Orlans, Nima Adhami, Yu Chen, Michael R Sawaya, Shibom Basu, Daniele De Sanctis, Soichi Wakatsuki, Hosea M Nelson, Joseph Loo, Yi Tang, View ORCID ProfileJose A Rodriguez BioRxiv 2025
Niko W Vlahakis, Cameron W Flowers, Mengting Liu, Matthew Agdanowski, Samuel Johnson, Jacob A Summers, Catherine Keyser, Phoebe Russell, Samuel Rose, Julien Orlans, Nima Adhami, Yu Chen, Michael R Sawaya, Shibom Basu, Daniele De Sanctis, Soichi Wakatsuki, Hosea M Nelson, Joseph Loo, Yi Tang, View ORCID ProfileJose A Rodriguez BioRxiv 2025
Microcrystal electron diffraction-guided discovery of fungal metabolites
Delgadillo, D. A.; Wu, L.; Wang, C.; Zhang Y.; Burch, J. E.; Jha, K. K.; de Moraes, L. S.; Bills, G. F.; Tu, B. P.; Tang, Y.; Nelson, H. M. ChemRxiv 2024.
Delgadillo, D. A.; Wu, L.; Wang, C.; Zhang Y.; Burch, J. E.; Jha, K. K.; de Moraes, L. S.; Bills, G. F.; Tu, B. P.; Tang, Y.; Nelson, H. M. ChemRxiv 2024.
Assessing the Applicability of Bayesian Inference for Merging Small Molecule MicroED Data
Mai, H.; Peck, A.; Dalton, K. M.; de Moraes, L. S.; Burch, J. E.; Poitevin, F.; Nelson, H. M. ChemRxiv 2024.
Mai, H.; Peck, A.; Dalton, K. M.; de Moraes, L. S.; Burch, J. E.; Poitevin, F.; Nelson, H. M. ChemRxiv 2024.
Structural Elucidation and Absolute Stereochemistry for Pharma Compounds Using MicroED
de Moraes, L. S.; Burch, J. E.; Delgadillo, D. A.; Hernandez Rodriguez, I.; Mai, H.; Smith, A. G.; Caille, S.; Walker, S. D.; Wurz, R. P.; Cee, V. J.; Rodriguez, J. A.; Gostovic, D.; Quasdorf, K.; Nelson, H. M. Org. Lett. 2024.
de Moraes, L. S.; Burch, J. E.; Delgadillo, D. A.; Hernandez Rodriguez, I.; Mai, H.; Smith, A. G.; Caille, S.; Walker, S. D.; Wurz, R. P.; Cee, V. J.; Rodriguez, J. A.; Gostovic, D.; Quasdorf, K.; Nelson, H. M. Org. Lett. 2024.
A Geometrically Flexible Three-Dimensional Nanocarbon
Tang, C.; Han, H.; Zhang, R.; de Moraes, L. S.; Qi, Y.; Wu, G.; Jones, C. G.; Hernandez Rodriguez, I.; Jiao, Y.; Liu, W.; Li, X.; Chen, H.; Bancroft, L.; Zhao, X.; Stern, C. L.; Guo, Q.; Krzyaniak, M. D.; Wasielewski, M. R.; Nelson, H. M.; Li, P.; Stoddart, J. F. J. Am. Chem. Soc. 2024, 146, 29, 20158–20167.
Tang, C.; Han, H.; Zhang, R.; de Moraes, L. S.; Qi, Y.; Wu, G.; Jones, C. G.; Hernandez Rodriguez, I.; Jiao, Y.; Liu, W.; Li, X.; Chen, H.; Bancroft, L.; Zhao, X.; Stern, C. L.; Guo, Q.; Krzyaniak, M. D.; Wasielewski, M. R.; Nelson, H. M.; Li, P.; Stoddart, J. F. J. Am. Chem. Soc. 2024, 146, 29, 20158–20167.
Gas-Induced Electrical and Magnetic Modulation of Two-Dimensional Conductive Metal-Organic Framework
Meng, Z.; Stolz, R. M.; de Moraes, L. S.; Jones, C. G.; Eagleton, A. M.; Nelson, H. M.; Mirica, K. A. Angew. Chem. Int. Ed. 2024, 63, 24, e202404290.
Meng, Z.; Stolz, R. M.; de Moraes, L. S.; Jones, C. G.; Eagleton, A. M.; Nelson, H. M.; Mirica, K. A. Angew. Chem. Int. Ed. 2024, 63, 24, e202404290.
Discovery and Characterization of Pyridoxal 5'-Phosphate-Dependent Cycloleucine Synthases
Abad, A. N.; Seshadri, K.; Ohashi, M.; Delgadillo, D. A.; de Moraes, L. S.; Nagasawa, K. K.; Liu, M.; Johnson, S.; Nelson, H. M.; Tang, Y. J. Am. Chem. Soc. 2024, 146, 21, 14672–14684.
Abad, A. N.; Seshadri, K.; Ohashi, M.; Delgadillo, D. A.; de Moraes, L. S.; Nagasawa, K. K.; Liu, M.; Johnson, S.; Nelson, H. M.; Tang, Y. J. Am. Chem. Soc. 2024, 146, 21, 14672–14684.
High-throughput Identification of Crystalline Natural Products from Crude Extracts Enabled by Microarray Technology and MicroED
Delgadillo, D. A.; Burch, J. E.; Kim, L. J.; de Moraes L.; Niwa, K.; Williams, J.; Tang, M. J.; Lavallo, V.; Chhetri, B.; Jones, C. G.; Rodriguez, I. H.; Signore, J.; Marquez, L.; Bhanushali, R.; Greene, M.; Woo, S.; Kubanek, J.; Quave, C. L.; Tang, Y.; Nelson, H. M. ACS Cent. Sci. 2024, 10, 1, 176–183.
Delgadillo, D. A.; Burch, J. E.; Kim, L. J.; de Moraes L.; Niwa, K.; Williams, J.; Tang, M. J.; Lavallo, V.; Chhetri, B.; Jones, C. G.; Rodriguez, I. H.; Signore, J.; Marquez, L.; Bhanushali, R.; Greene, M.; Woo, S.; Kubanek, J.; Quave, C. L.; Tang, Y.; Nelson, H. M. ACS Cent. Sci. 2024, 10, 1, 176–183.
Genome Mining from Agriculturally Relevant Fungi Led to a D-Glucose Esterified Polyketide with a Terpene-like Core Structure
Yan, C.; Han, W.; Zhou, Q.; Niwa, K.; Tang, M. J.; Burch, J. E.; Zhang, Y.; Delgadillo, D. A.; Sun, Z.; Wu, Z.; Jacobsen, S. E.; Nelson, H. M.; Houk, K. N.; Tang, Y. J. Am. Chem. Soc. 2023, 145, 46, 25080–25085.
Yan, C.; Han, W.; Zhou, Q.; Niwa, K.; Tang, M. J.; Burch, J. E.; Zhang, Y.; Delgadillo, D. A.; Sun, Z.; Wu, Z.; Jacobsen, S. E.; Nelson, H. M.; Houk, K. N.; Tang, Y. J. Am. Chem. Soc. 2023, 145, 46, 25080–25085.
A Heterologous expression platform in Aspergillus nidulans for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the Aspergillus fumigatus sartorypyrone biosynthetic pathway
Lin, S. Y.; Oakley, C. E.; Jenkinson, C. B.; Chiang, Y. M.; Lee, C. K.; Jones, C. G.; Seidler, P. M.; Nelson, H. M.; Todd, R. B.; Wang, C.C.; Oakley, B.R. Chem. Sci. 2023, 14, 11022–11032.
Lin, S. Y.; Oakley, C. E.; Jenkinson, C. B.; Chiang, Y. M.; Lee, C. K.; Jones, C. G.; Seidler, P. M.; Nelson, H. M.; Todd, R. B.; Wang, C.C.; Oakley, B.R. Chem. Sci. 2023, 14, 11022–11032.
Cryptic Chemical Variation in a Marine Red Alga as Revealed by Nontargeted Metabolomics
Chhetri, B. K.; Mojib, N.; Moore, S. G.; Delgadillo, D. A.; Burch, J. E.; Barrett, N. H.; Gaul, D. A.; Marquez, L.; Soapi, K.; Nelson, H. M.; Quave, C. L.; Kubanek, J. ACS Omega 2023, 8, 15, 13899–13910.
Chhetri, B. K.; Mojib, N.; Moore, S. G.; Delgadillo, D. A.; Burch, J. E.; Barrett, N. H.; Gaul, D. A.; Marquez, L.; Soapi, K.; Nelson, H. M.; Quave, C. L.; Kubanek, J. ACS Omega 2023, 8, 15, 13899–13910.
Chemoenzymatic Synthesis of (+)-Xyloketal B
Romero, E. O.; Perkins, J. C.; Burch, J. E.; Delgadillo, D. A.; Nelson, H. M.; Narayan, A. R. H. Org. Lett. 2023, 25, 9, 1547–1552.
Romero, E. O.; Perkins, J. C.; Burch, J. E.; Delgadillo, D. A.; Nelson, H. M.; Narayan, A. R. H. Org. Lett. 2023, 25, 9, 1547–1552.
Sterically Invariant Carborane-Based Ligands for the Morphological and Electronic Control of Metal–Organic Chalcogenolate Assemblies
Mills, H. A.; Jones, C. G.; Anderson, K. P.; Ready, A. D.; Djurovich, P. I.; Khan, S. I.; Hohman, N. J.; Nelson, H. M.; Spokoyny, A. M. Chem. Mat. 2022, 15, 6933–6943.
Mills, H. A.; Jones, C. G.; Anderson, K. P.; Ready, A. D.; Djurovich, P. I.; Khan, S. I.; Hohman, N. J.; Nelson, H. M.; Spokoyny, A. M. Chem. Mat. 2022, 15, 6933–6943.
Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing
Aykanat, A.; Jones, C. G.; Cline, E.; Stolz, R. M.; Meng, Z.; Nelson, H. M.; Mirica, K. A. ACS Appl. Mater. Interfaces 2021, 50, 60306–60318.
Aykanat, A.; Jones, C. G.; Cline, E.; Stolz, R. M.; Meng, Z.; Nelson, H. M.; Mirica, K. A. ACS Appl. Mater. Interfaces 2021, 50, 60306–60318.
Solution-processable and functionalizable ultra-high molecular weight polymers via topochemical synthesis
Anderson, C. L.; Li, H.; Jones, C. G.; Teat, S. J.; Settineri, N. S.; Dailing, E. A.; Liang, J.; Mao, H.; Klivansky, L. M.; Li, X.; Reimer, J. A.; Nelson, H. M.; Liu, Y. Nat. Commun. 2021, 12, 1–8.
Anderson, C. L.; Li, H.; Jones, C. G.; Teat, S. J.; Settineri, N. S.; Dailing, E. A.; Liang, J.; Mao, H.; Klivansky, L. M.; Li, X.; Reimer, J. A.; Nelson, H. M.; Liu, Y. Nat. Commun. 2021, 12, 1–8.
Unraveling the Electrical and Magnetic Properties of Lawyered Conductive Metal− Organic Framework With Atomic Precision
Meng, Z.; Jones, C. G.; Farid, S.; Khan, I. U.; Nelson, H. M.; Mirica, K. A. Angew. Chem. Int. Ed. 2021, 60, 2–11.
Meng, Z.; Jones, C. G.; Farid, S.; Khan, I. U.; Nelson, H. M.; Mirica, K. A. Angew. Chem. Int. Ed. 2021, 60, 2–11.
Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds
Burch, J. E.; Smith, A. G.; Caille, S.; Walker, S. D.; Wurz, R.; Cee, V. J.; Rodriguez, J.; Gostovic, D.; Quasdorf, K.; Nelson, H. M. ChemRxiv 2021.
Burch, J. E.; Smith, A. G.; Caille, S.; Walker, S. D.; Wurz, R.; Cee, V. J.; Rodriguez, J.; Gostovic, D.; Quasdorf, K.; Nelson, H. M. ChemRxiv 2021.
Biosynthesis of the Fusarium Mycotoxin (–)-Sambutoxin
Go, E. B.; Kim, L. J.; Nelson, H. M.; Ohashi, M.; Tang, Y. Org. Lett. 2021, 23, 7819–7823.
Go, E. B.; Kim, L. J.; Nelson, H. M.; Ohashi, M.; Tang, Y. Org. Lett. 2021, 23, 7819–7823.
Prospecting for natural products by genome mining and microcystal electron diffraction
Kim, L. J.; Ohashi, M.; Tan, D.; Asay, M.; Cascio, D.; Rodriguez, J; Tang, Y.; Nelson, H. M. Nat. Chem. Bio. 2021, 17, 872–877.
This article was highlighted in C&EN.
First appeared on ChemRxiv.
Kim, L. J.; Ohashi, M.; Tan, D.; Asay, M.; Cascio, D.; Rodriguez, J; Tang, Y.; Nelson, H. M. Nat. Chem. Bio. 2021, 17, 872–877.
This article was highlighted in C&EN.
First appeared on ChemRxiv.
Enhanced Gearing Fidelity Achieved Through Macrocyclization of a Solvated Molecular Spur Gear
Jellen, M. J.; Liepuoniute, I.; Jin, M.; Jones, C. G.; Yang, S.; Jiang, X.; Nelson, H. M.; Houk, K. N.; Garcia-Garibay, M. A. J. Am. Chem. Soc. 2021, 143, 7740–7747.
Jellen, M. J.; Liepuoniute, I.; Jin, M.; Jones, C. G.; Yang, S.; Jiang, X.; Nelson, H. M.; Houk, K. N.; Garcia-Garibay, M. A. J. Am. Chem. Soc. 2021, 143, 7740–7747.
Structural Revision of the Lomaiviticins
Kim, L. J.; Xue, M.; Li, X.; Xu, Z.; Paulson, E.; Mercado, B. Q.; Nelson, H. M.; Herzon, S. J. Am. Chem. Soc. 2021, 143, 6578–6585.
This article was highlighted in C&EN.
First appeared on ChemRxiv.
Kim, L. J.; Xue, M.; Li, X.; Xu, Z.; Paulson, E.; Mercado, B. Q.; Nelson, H. M.; Herzon, S. J. Am. Chem. Soc. 2021, 143, 6578–6585.
This article was highlighted in C&EN.
First appeared on ChemRxiv.
Isolation and X-ray Crystal Structure of an Electrogenerated TEMPO-N3 Charge-Transfer Complex
Nelson, H. M.; Siu, J. C.; Saha, A.; Cascio, D.; MacMillan, S. N.; Wu, S. B.; Lu, C.; Rodriguez, J. A.; Houk, K. N.; Lin, S. Org. Lett. 2021, 2, 454–458.
First appeared on ChemRxiv.
Nelson, H. M.; Siu, J. C.; Saha, A.; Cascio, D.; MacMillan, S. N.; Wu, S. B.; Lu, C.; Rodriguez, J. A.; Houk, K. N.; Lin, S. Org. Lett. 2021, 2, 454–458.
First appeared on ChemRxiv.
Elucidation of Diverse Solid-State Packing in a Family of Electron-Deficient Expanded Helicenes via Microcrystal Electron Diffraction (MicroED)
Samkian, A.; Kiel, G. R.; Jones, C. G.; Bergman, H.; Oktawiec, J.; Nelson, H. M.; Tilley, T. D. Angew. Chem. Int. Ed. 2020, 5, 2493–2499.
First appeared on ChemRxiv.
Samkian, A.; Kiel, G. R.; Jones, C. G.; Bergman, H.; Oktawiec, J.; Nelson, H. M.; Tilley, T. D. Angew. Chem. Int. Ed. 2020, 5, 2493–2499.
First appeared on ChemRxiv.
Identification of Uric Acid Gluconucleoside–Ascaroside Conjugates in Caenorhabditis elegans by Combining Synthesis and MicroED
Curtis, B. J.; Kim, L. J.; Wrobel, C. J. J.; Eagen, J. M.; Smith, R. A.; Burch, J. E.; Le, H. H.; Artyukhin, A. B.; Nelson, H. M.; Schroeder, F. C. Org. Lett. 2020, 22, 6724–6728.
Curtis, B. J.; Kim, L. J.; Wrobel, C. J. J.; Eagen, J. M.; Smith, R. A.; Burch, J. E.; Le, H. H.; Artyukhin, A. B.; Nelson, H. M.; Schroeder, F. C. Org. Lett. 2020, 22, 6724–6728.
Characterization of Reactive Organometallic Species via MicroED
Jones, C. G.; Asay, M.; Kim, L. J.; Kleinsasser, J. F.; Saha, A.; Fulton, T. J.; Berkly, K. R.; Cascio, D.; Malyutin, A. G.; Conley, M. P.; Stoltz, B. M.; Lavallo, V.; Rodriguez, J. A.; Nelson, H. M. ACS Cent. Sci. 2019, 5, 1507–1513.
First appeared on ChemRxiv.
Jones, C. G.; Asay, M.; Kim, L. J.; Kleinsasser, J. F.; Saha, A.; Fulton, T. J.; Berkly, K. R.; Cascio, D.; Malyutin, A. G.; Conley, M. P.; Stoltz, B. M.; Lavallo, V.; Rodriguez, J. A.; Nelson, H. M. ACS Cent. Sci. 2019, 5, 1507–1513.
First appeared on ChemRxiv.
The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination
Jones, C. G.; Martynowycz, M. W.; Hattne, J.; Fulton, T. J.; Stoltz, B. M.; Rodriguez, J. A.; Nelson, H. M.; Gonen, T. ACS Cent. Sci. 2018, 4, 1587–1592.
First appeared on ChemRxiv.
This article was highlighted in ScienceNews, Science In the Pipeline, Nature & C&EN, NIH Director's Blog.
Jones, C. G.; Martynowycz, M. W.; Hattne, J.; Fulton, T. J.; Stoltz, B. M.; Rodriguez, J. A.; Nelson, H. M.; Gonen, T. ACS Cent. Sci. 2018, 4, 1587–1592.
First appeared on ChemRxiv.
This article was highlighted in ScienceNews, Science In the Pipeline, Nature & C&EN, NIH Director's Blog.