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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 136

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

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Reviews & perspectives
Nature

Mass-spectrometry-based proteomics: from single cells to clinical applications

Tiannan Guo; Judith A Steen; Matthias Mann

This review surveys improvements in proteomics sample preparation, instrumentation, data acquisition, and analysis. It connects single-cell and spatial profiling with protein interactions, modifications, and biomarker discovery in body fluids. Clinical implementation is discussed as an opportunity with remaining challenges, rather than proof that every discovery assay is ready for diagnostic use.

Bioanalysis & Biomarkers
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DOI: 10.1038/s41586-025-08584-0

Original research
IUCrJ

SCXRD, CSP-NMRX and microED in the quest for three elusive polymorphs of meloxicam

Agata Jeziorna; Maura Malinska; Isaac Sugden; Piotr Paluch; Rafał Dolot; Marta K. Dudek

Three elusive meloxicam polymorphs required different structure-determination approaches. Single-crystal X-ray diffraction solved Form III, combined crystal structure prediction and NMR crystallography solved Form II, and electron diffraction resolved Form V, which contains four independent molecules in the asymmetric unit. The comparison highlights complementary strengths and limitations rather than establishing one universally superior crystallographic method.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1107/s2052252524011898

Original research
IUCrJ

From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion

Helen W. Leung; Royston C. B. Copley; Giulio I. Lampronti; Sarah J. Day; Lucy K. Saunders; Duncan N. Johnstone; Paul A. Midgley

3D electron diffraction resolved the structure of the ninth reported indomethacin polymorph, designated sigma, from crystals found within an amorphous solid dispersion. Subsequent experiments produced the same form by solvent evaporation. The work demonstrates structure determination directly from a formulation-related sample containing an excipient; it does not establish improved dissolution or clinical performance for the new form.

MicroED structure determinationPharmaceutical solid stateFormulation Development & Manufacturing
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DOI: 10.1107/s2052252524008121

Original research
Crystal Growth & Design

Polyethylene Glycol-Assisted Melt Crystallization of Two New Piroxicam Polymorphs Revealed by 3D Electron Diffraction

Jiaoyan Xu; Changlin Yao; Shufang Zhang; Xiaodong Zou; Yue Gui; Lei Wang; Hongyi Xu

Two previously unreported piroxicam polymorphs, Forms VIII and IX, emerged through polyethylene glycol-assisted melt crystallization. Their crystal structures were determined by 3D electron diffraction. Comparing the newly solved Form VIII with known Form IV allowed discussion of how differences in intermolecular hydrogen bonding contribute to melting behavior. The study concerns laboratory solid forms rather than validated drug-product performance.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1021/acs.cgd.4c00951

Methods
Organic Letters

Structural Elucidation and Absolute Stereochemistry for Pharma Compounds Using MicroED

Lygia Silva de Moraes; Jessica E. Burch; David A. Delgadillo; Isabel Hernandez Rodriguez; Huanghao Mai; Austin G. Smith; Seb Caille; Shawn D. Walker; Ryan P. Wurz; Victor J. Cee; Jose A. Rodriguez; Dan Gostovic; Kyle Quasdorf; Hosea M. Nelson

This industry-linked evaluation examined 30 samples from Amgen process and medicinal chemistry groups. Fifteen crystal structures were elucidated using 40 hours of microscope time. For the chiral compounds whose structures were solved, dynamical refinement assigned the correct absolute stereochemistry. The study provides an observed sample-set outcome rather than a universal success rate for pharmaceutical materials.

MicroED structure determination
Read guide →Original paper ↗

DOI: 10.1021/acs.orglett.4c01865

Original research
Chemical and Pharmaceutical Bulletin

Rapid Structure Determination of Ranitidine Hydrochloride API in Two Crystal Forms Using Microcrystal Electron Diffraction

Hidetomo Yokoo; Yoshitaka Aoyama; Takashi Matsumoto; Eiichi Yamamoto; Nahoko Uchiyama; Yosuke Demizu

Researchers used MicroED to determine the crystal structures of ranitidine hydrochloride Forms 1 and 2. The resulting structures agreed with previously reported X-ray diffraction structures. The work presents a focused pharmaceutical proof of applicability for small-quantity or microcrystalline API samples, while retaining the need to control crystal form, hydration, and residual solvents through complementary quality assessments.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1248/cpb.c23-00745

Reviews & perspectives
Acta Crystallographica Section C

Applying 3D ED/MicroED workflows toward the next frontiers

Mahira Aragon; Sarah E. J. Bowman; Chun-Hsing Chen; et al.

This community overview summarizes developments discussed at a MicroED symposium and workshop. It covers access to instrumentation, small-molecule and biomolecular applications, data collection, processing software, reporting, and validation. For pharmaceutical readers, it helps connect individual experimental demonstrations to the operational requirements of a complete workflow, without presenting an industrial validation study.

MicroED structure determination
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DOI: 10.1107/s2053229624004078

Original research
Advanced Biology

Polymorphic Structure Determination of the Macrocyclic Drug Paritaprevir by MicroED

Guanhong Bu; Emma Danelius; Lianne H.E. Wieske; Tamir Gonen

Researchers determined two polymorphic crystal structures of the oral macrocyclic drug paritaprevir within the same MicroED experiment. The forms differed in macrocycle and substituent conformations. Docking suggested that one conformation could fit the viral protease binding pocket. The structural and computational results inform conformational analysis but do not establish a difference in clinical performance between polymorphs.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1002/adbi.202300570

Original research
Angewandte Chemie International Edition

Phase Identification and Discovery of an Elusive Polymorph of Drug‐Polymer Inclusion Complex Using Automated 3D Electron Diffraction

Molly Lightowler; Shuting Li; Xiao Ou; Jungyoun Cho; Binbin Liu; Ao Li; Gerhard Hofer; Jiaoyan Xu; Taimin Yang; Xiaodong Zou; Ming Lu; Hongyi Xu

An automated low-dose 3D electron diffraction workflow identified six phases in a melt-crystallized griseofulvin–polyethylene glycol system. More than 230 datasets were collected and processed in three days. The researchers resolved known drug polymorphs and inclusion complexes alongside an elusive new inclusion-complex phase, then related the two inclusion-complex polymorphs to their structural stability differences.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1002/anie.202317695

Original research
New England Journal of Medicine

An Oral Interleukin-23–Receptor Antagonist Peptide for Plaque Psoriasis

Robert Bissonnette; Andreas Pinter; Laura K Ferris; Sascha Gerdes; Phoebe Rich; Ronald Vender; Megan Miller; Yaung-Kaung Shen; Arun Kannan; Shu Li; Cynthia DeKlotz; Kim Papp

A randomized phase 2 study evaluated oral JNJ-77242113, an IL-23 receptor antagonist peptide, against placebo for 16 weeks in plaque psoriasis. The study reported a dose-response relationship for skin improvement. This is candidate-specific human evidence; it does not establish oral bioavailability or clinical success for other cyclic peptides.

Oral cyclic peptides
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DOI: 10.1056/nejmoa2308713

Reviews & perspectives
Current Opinion in Structural Biology

Advances and applications of microcrystal electron diffraction (MicroED)

Alison Haymaker; Brent L. Nannenga

The review describes MicroED methodology and recent advances across small organic molecules, materials, and biological structures. It explains how diffraction from very small crystals extends the experimental toolkit. Pharmaceutical readers can use it for broader methodological context, while recognizing that its cross-disciplinary examples do not constitute a dedicated benchmark of routine API polymorph screening.

MicroED structure determination
Read guide →Original paper ↗

DOI: 10.1016/j.sbi.2023.102741

Original research
Advanced Science

Distinct Conformations of Mirabegron Determined by MicroED

Jieye Lin; Johan Unge; Tamir Gonen

MicroED analysis of mirabegron nanocrystals revealed two molecular conformers within the asymmetric unit and a hydrogen-bonded packing arrangement. The authors compared these solid-state conformations with a previously reported receptor-bound model and discussed differences. The two conformers are not, by themselves, evidence of two separate polymorphs; the study concerns molecular conformation within the observed crystal structure.

MicroED structure determinationPharmaceutical solid state
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DOI: 10.1002/advs.202304476

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