A simple Al(3+) sensor, 8-acetyl-7-hydroxy-4-methylcoumarin (AHMC), was synthesized. It can display an excellent fluorescence "turn-on" response to Al(3+) over other common metal ions in methanol-water media. Theoretical calculations have also been carried out to understand the configuration of the AHMC-Al complex and rationalize experimental absorption data.

Confidence intervals (CIs) are common methods to characterize the uncertain output of experimental measurements, process design calculations and simulations. Usually, probability distributions (pdfs) such as Gaussian and t-Student are used to quantify them. There are situationswhere the pdfs have anomalous behavior such as heavy tails, which can arise in uncertainty analysis of nonlinear comput...

Surface science is key to understanding the properties of a wide range materials for energy applications, from catalysts solar cells battery components. Computational modelling based on quantum mechanics often used calculate surface materials, which in turn determine their stability and performance. The maturity these “first-principles” methods, coupled with huge amount computational power acce...