Matthew Nisbet

In Situ Diffraction and Ex Situ Transmission X‐Ray Microscopy Studies of Solid‐State Upcycling for NMC Cathodes Description of attached TOC figure: Phase evolution observed from in situ X-ray diffraction experiments during upcycling of NMC622 is shown in a contour plot in the center. 3D nickel XANES maps gener...

I’m excited to share our new article on upcycling of NMC cathode materials - out now in Advanced Energy Materials! In this study we used in situ synchrotron XRD and ex situ variable-energy nano-CT to identify inhomogeneity following calcination.

advanced.onlinelibrary.wiley.com/doi/10.1002/...

Does Platon find higher symmetry for the P cell? If the packing is identical then I would expect Platon to find the F cell given the P structure

Machine-Learning-Assisted Synthesis of Polar Racemates Racemates have recently received attention as nonlinear optical and piezoelectric materials. Here, a machine-learning-assisted composition space approach was applied to synthesize the missing M = Ti, ...

To highlight some of my PhD work, this JACS paper was a great collaboration with the Norquist and Cabana groups. Alex and Ian helped us make decision tree models that capture synthetic trends. XAS spectra from the Cabana group showed that TiF6 is the odd ball in group 4

pubs.acs.org/doi/abs/10.1...

Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid) Two anhydrous polymorphs of the novel antiviral medicine nirmatrelvir were discovered during the development of Paxlovid, Pfizer’s oral Covid-19 treatment. A comprehensive experimental and computational approach was necessary to distinguish the two closely related polymorphs, herein identified as Forms 1 and 4. This approach paired experimental methods, including powder X-ray diffraction and single-crystal X-ray diffraction, solid-state experimental methods, thermal analysis, solid-state nuclear magnetic resonance and Raman spectroscopy with computational investigations comprising crystal structure prediction, Gibbs free energy calculations, and molecular dynamics simulations of the polymorphic transition. Forms 1 and 4 were ultimately determined to be enantiotropically related polymorphs with Form 1 being the stable form above the transition temperature of ∼17 °C and designated as the nominated form for drug development. The work described in this paper shows the importance of using highly specialized orthogonal approaches to elucidate the subtle differences in structure and properties of similar solid-state forms. This synergistic approach allowed for unprecedented speed in bringing Paxlovid to patients in record time amidst the pandemic.

During my time at Pfizer I solved crystal structures for our COVID-19 antiviral, nirmatrelvir. This compound has two remarkably similar anhydrous polymorphs, which presented significant challenges to getting this drug on the market in a short time. A major team effort:

pubs.acs.org/doi/abs/10.1...

Hi folks! Thought I would make a post to introduce myself:

current role - postdoc working at Argonne National Lab on Li ion battery cathode recycling as part of the ReCell Center

previously - PhD student with Ken Poeppelmeier followed by 3 years at Pfizer (Groton, CT) in Drug Product Design