The Griess reaction is the most often exploited colorimetric method for the quantitative analysis of nitrite in aqueous media. The application of the currently used reagents are associated with limitations (e.g. linear response range). Herein, molecular fingerprint searching on well-known Griess-reagents was used as a tool for the identification of structurally similar, new reagent candidate molecules. Rapid and highthroughput experimental evaluation of the newly identified Griess-reagent candidates revealed that 14 of the 18 tested reagent candidates had equal or superior response displaying broader linear ranges and/or increased response gradient against various nitrite concentrations in aqueous media when compared to the parent compounds at room temperature.Scheme 1 Example of a Griess reaction for the detection of nitrite in aqueous media. Fig. 3 Normalised valueswithin the tested parent compounds and candidatesof the width of the linear absorption response range as function of nitrite concentration (black solid bars); and the gradient of the linear regression within this linear range (dashed bars).This journal is
Arc welding is a thermal plasma process widely used to join metals. An arc welding model that couples fluid dynamic and electromagnetic equations was initially developed as a research tool. Subsequently, it was applied to improve and optimise industrial implementations of arc welding. The model includes the arc plasma, the electrode, and the workpiece in the computational domain. It incorporates several features to ensure numerical accuracy and reduce computation time and memory requirements. The arc welding code has been refactored into commercial-grade Windows software, ArcWeld, to address the needs of industrial customers. The methods used to develop ArcWeld and its extension to new arc welding regimes, which used the Workspace workflow platform, are presented. The transformation of the model to an integrated software application means that non-experts can now run the code after only elementary training. The user can easily visualise the results, improving the ability to analyse and generate insights into the arc welding process being modelled. These changes mean that scientific progress is accelerated, and that the software can be used in industry and assist welders’ training. The methods used are transferrable to many other research codes.
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