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RESEARCH / LITERATURE

Research Literature

Find research, methods, and reviews across our scientific fields.

One collection · Original publication dates · Authors, journals & DOIs

All publications 147

Duplicate DOIs are merged. This is a selected collection, not an exhaustive bibliography.

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Original research
Chemistry – A European Journal

Absolute Configuration Determination of Chiral API Molecules by MicroED Analysis of Cocrystal Powders Formed Based on Cocrystal Propensity Prediction Calculations

Harsh S. Shah; Jiuchuang Yuan; Tian Xie et al.

This study combined virtual screening of chiral probes, experimental cocrystal screening, and MicroED structure determination to assign absolute configuration for two marketed API molecules. Known probe stereochemistry anchors the assignment. The workflow offers a route around difficult large-crystal growth while retaining an experimental screening step; computational propensity predictions alone do not establish absolute configuration.

MicroED structure determinationPharmaceutical solid state
Read guide →Original paper ↗

DOI: 10.1002/chem.202203970

Original research
Communications Chemistry

Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction

Shuting Li; Molly Lightowler; Xiao Ou et al.

Researchers determined the structures of five vemurafenib polymorphs directly from compact spherulites using 3D electron diffraction. Three matched known single-crystal X-ray structures, while the method resolved a difficult delta form and a newly observed epsilon form. The work expands access to melt-grown polymorphs whose morphology or instability can frustrate conventional single-crystal analysis.

MicroED structure determinationPharmaceutical solid state
Read guide →Original paper ↗

DOI: 10.1038/s42004-022-00804-2

Methods
CrystEngComm

Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization

Toshiyuki Sasaki; Takanori Nakane; Akihiro Kawamoto et al.

MicroED determined a powder-derived cocrystal of 2-aminopyrimidine and succinic acid prepared by solid-state grinding. The mechanically generated phase was not accessible through the solution-crystallization route examined. This is a model organic cocrystal rather than an API efficacy study, illustrating how electron diffraction can characterize crystal-engineering products without first recreating them as large solution-grown crystals.

MicroED structure determinationPharmaceutical solid state
Read guide →Original paper ↗

DOI: 10.1039/d2ce01522f

Original research
Chemical Communications

Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)

Bo Wang; Yiqing Lin

Researchers analyzed micron-sized powders of SMTP-7 and its diastereomer to resolve stereochemical assignments. Kinematical refinement combined with additional chiral information and dynamical refinement provided complementary routes. The work demonstrates absolute-configuration analysis for complex, hard-to-crystallize drug candidates with limited material, while distinguishing what can be inferred from conventional refinement and what requires dynamical treatment.

MicroED structure determinationPharmaceutical solid state
Read guide →Original paper ↗

DOI: 10.1039/d2cc05218k

Reviews & perspectives
WIREs Nanomedicine and Nanobiotechnology

3D electron diffraction for structure determination of small‐molecule nanocrystals: A possible breakthrough for the pharmaceutical industry

Iryna Andrusenko; Mauro Gemmi

This review examines three-dimensional electron diffraction for beam-sensitive small-molecule nanocrystals, with a pharmaceutical-industry perspective. It discusses experimental strategies, diffraction completeness, dynamical scattering, and structural applications that extend beyond conventional large-crystal requirements. It provides a methods-oriented framework for interpreting published demonstrations; it does not establish a universal preparation method or replace sample-specific feasibility assessment.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1002/wnan.1810

Original research
Nature Communications

Structure of the active pharmaceutical ingredient bismuth subsalicylate

Erik Svensson Grape; Victoria Rooth; Mathias Nero et al.

Three-dimensional electron diffraction and scanning transmission electron microscopy resolved the layered structure and stacking variations of bismuth subsalicylate, a long-used pharmaceutical ingredient. Clustering compatible diffraction datasets helped obtain the ordered structural model, while imaging exposed disorder. The paper shows why complementary electron-crystallography techniques can be valuable when small crystals and structural defects obstruct conventional characterization.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1038/s41467-022-29566-0

Original research
Chemical Communications

Absolute configuration determination of pharmaceutical crystalline powders by MicroED via chiral salt formation

Bo Wang; Jessica F. Bruhn; Asmerom Weldeab et al.

The authors determined the absolute configuration of a preclinical API by forming a salt with a chiral reference and analyzing its microcrystalline powder using MicroED. This approach transfers known stereochemical information from the salt former to the API. It addresses situations where large crystals cannot be obtained, but depends on a suitable, well-characterized chiral reference.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1039/d2cc00221c

Original research
Science

CAR T cells produced in vivo to treat cardiac injury

Joel G Rurik; István Tombácz; Amir Yadegari; Pedro O Méndez Fernández; Swapnil V Shewale; Li Li; Toru Kimura; Ousamah Younoss Soliman; Tyler E Papp; Ying K Tam; Barbara L Mui; Steven M Albelda; Ellen Puré; Carl H June; Haig Aghajanian; Drew Weissman; Hamideh Parhiz; Jonathan A Epstein

The 2022 study delivered CAR-encoding mRNA with CD5-targeted lipid nanoparticles, generating transient CAR T cells in mice. The abstract reports reduced cardiac fibrosis and improved function after injury. This is preclinical evidence, not human efficacy.

In Vivo Cell Engineering & Gene EditingmRNA / LNP
Read guide →Original paper ↗

DOI: 10.1126/science.abm0594

Original research
Angewandte Chemie International Edition

Indomethacin Polymorph δ Revealed To Be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47‐Year‐Old Misunderstanding

Molly Lightowler; Shuting Li; Xiao Ou et al.

Three-dimensional electron diffraction showed that solution-grown and melt-grown materials previously grouped as delta-indomethacin have different crystal structures. The authors retained delta for the solution-grown form and proposed theta for the melt-grown form. Both displayed plastic bending associated with molecular slip. This case demonstrates how structural measurements can resolve longstanding ambiguity in polymorph identity.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1002/anie.202114985

Original research
International Journal of Pharmaceutics

Structure determination, thermal stability and dissolution rate of δ-indomethacin

Iryna Andrusenko; Victoria Hamilton; Arianna E. Lanza et al.

Researchers solved a previously unresolved indomethacin form by three-dimensional electron diffraction and related its packing to infrared and Raman observations. They measured faster dissolution than the better-characterized alpha and gamma forms and observed a solid-state transition to alpha. This is a solid-form structure–property study; laboratory dissolution results do not by themselves establish improved human bioavailability.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1016/j.ijpharm.2021.121067

Methods
Frontiers in Molecular Biosciences

Small Molecule Microcrystal Electron Diffraction for the Pharmaceutical Industry–Lessons Learned From Examining Over Fifty Samples

Jessica F. Bruhn; Giovanna Scapin; Anchi Cheng et al.

Researchers described a pharmaceutical MicroED service workflow after examining more than fifty client-submitted small-molecule samples. Most yielded diffraction data suitable for structure solution, and validation examples included common reference compounds and teniposide. The paper documents preparation, collection, processing, and typical obstacles; its selected service cohort does not establish a universal success rate.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.3389/fmolb.2021.648603

Reviews & perspectives
Annual Review of Biochemistry

An Overview of Microcrystal Electron Diffraction (MicroED)

Xuelang Mu; Cody Gillman; Chi Nguyen; Tamir Gonen

This review introduces the development and scope of MicroED, from small molecules and peptides to proteins and larger complexes. It explains how nanocrystalline samples extend crystallographic opportunities and summarizes the method’s trajectory. Its value for pharmaceutical materials is conceptual orientation; readers should use dedicated API studies to evaluate solid-form identification and industrial performance.

MicroED structure determination
Read guide →Original paper ↗

DOI: 10.1146/annurev-biochem-081720-020121

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