Karin Höjer Holmgren

TL;DR: The utility of this methodology for attributing VR samples to a particular production method is demonstrated, demonstrating the utility of the CAS in synthesized batches of crude VR in diverse batches and matrices.

TL;DR: A multivariate model was developed to attribute samples to a synthetic method used in the production of sulfur mustard (HD), with the aim to introduce variability while reducing the influence of laboratory or chemist specific impurities in multivariate analysis.

TL;DR: Data obtained with spectroscopy instruments amenable for field deployment can be useful in forensic studies of chemical warfare agents, and model performance was enhanced when Raman and IR spectra were combined.

TL;DR: This sensitive approach for extracting nerve gas markers such as phosphonic acids from urine and other aqueous samples can be flexibly modified to obtain confirmatory information, or address potential problems caused by interferences in some samples.

TL;DR: In this article, the performance of two supervised machine learning algorithms for retrospective synthetic route attribution, orthogonal partial least squares discriminant analysis (OPLS-DA) and random forest (RF), were compared using external test sets.