Simulations of Test Reduction Using Pooled Heavy Metals Analysis in Cannabis.

BACKGROUND: Cannabis species have a propensity to bioaccumulate toxic heavy metals from their growth media. Increased testing for these metals is required to improve the safety of the legal medical and recreational cannabis industries. However, the current methods used for mandated heavy metals tests are not efficient for a large framework. As a result, there is limited testing capacity, high testing costs, and long wait times for results across North America. OBJECTIVE: This study aimed to demonstrate that pooling strategies can be used to increase the throughput in cannabis testing labs and reduce some of the strain on the industry. METHODS: This paper presents an algorithm to simulate different pooling strategies. The algorithm was applied to real world data sets collected from Washington and California state testing labs. RESULTS: Using a single pooling method, a pool size of three samples on average resulted in a 23.8% reduction in tests required for 100 samples for the Washington lab. For the California lab, pooling four samples on average resulted in a 54.1% reduction in tests required for 100 samples. CONCLUSION: The algorithms generated from the Washington and California lab data demonstrated that pooled testing strategies can be developed on a case-by-case method to reduce the time, effort, and costs associated with heavy metals tests. HIGHLIGHTS: The benefits of pooled testing will vary depending on the region and rate of contamination seen in each testing lab. Overall, our results demonstrate pooled testing has the potential to reduce the fiscal costs of testing through increased efficiency, allowing increased testing, leading to greater safety.

Step-by-step real time monitoring of a catalytic amination reaction.

The multiple reaction monitoring mode of a triple quadrupole mass spectrometer is used to examine the Buchwald-Hartwig amination reaction at 0.1% catalyst loading in real-time using sequential addition of reagents to probe the individual steps in the cycle. This is a powerful new method for probing reactions under realistic conditions.

Correction: Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection.

Correction for 'Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection' by Eric Janusson et al., Chem. Commun., 2019, DOI: 10.1039/c9cc02361e.

Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection.

By using sugars as the reducing agents, we demonstrate that it is possible to control the self-assembly of polyoxomolybdates through selective preparation of a single heteropolyanion isomer. d-(-)-Fructose has been proved to be an effective reducing sugar compared to the chemically similar carbohydrate d-(+)-glucose. The gentle reduction results in favourable formation of the Wells-Dawson type gamma isomer in 6-fold reduced form at room temperature.

Phenol-selective mass spectrometric analysis of jet fuel.

Bromobenzyl compounds react selectively with phenols via the Williamson ether synthesis. An imidazolium charge-tagged bromobenzyl compound can be used to reveal phenol impurities in jet fuel by analysis via electrospray ionization mass spectrometry. The complex matrix as revealed by Cold EI GC/MS analysis is reduced to a few simple sets of compounds in the charge-tagged ESI mass spectrum, primarily substituted phenols and thiols. Examination of jet fuels treated by different refinery methods reveals the efficacy of these approaches in removing these contaminants.

Real-time analysis of Pd2(dba)3 activation by phosphine ligands.

A combination of UV-Vis spectroscopy and electrospray ionization mass spectrometry is used for real-time monitoring of Pd2(dba)3 activation with sulfonated versions of PPh3 and Buchwald-type ligands. This provides insight into the effect of ligand and preparation conditions on activation and allows for establishment of rational activation protocols.

Selective mass spectrometric analysis of thiols using charge-tagged disulfides.

A simple chemical derivatization technique was developed for electrospray ionization mass spectrometry (ESI-MS) in which thiols and disulfides may be selectively analyzed in a complex matrix and easily characterized. These reagents enhance detection of thiols and disulfides solely due to the nature of the charge-tag derivatization agent and therefore does not require an isotopically labelled substrate. The charged disulfides readily and exclusively react with thiols in a complex matrix in a short amount of time. Furthermore, the synthesis of these reagents is simple and results in a highly pure and stable reagent. The efficacy of this reaction was demonstrated using on-line monitoring, while the scope and usefulness of the reaction was demonstrated in petroleum fractions.