Analysis of temperature effect in the CO absorption using a deep eutectic solvent: An in silico approach.

The excess level of carbon dioxide in the atmosphere has contributed a lot to global warming, occasioning several damages to the planet. Therefore, it is urgent to find ways to capture this gas. Then, the present work analyzed the temperature effect in CO absorption through deep eutectic solvents (DESs) based on urea and choline chloride using an in silico approach.

Electrochemical and theoretical investigation on the behavior of the Co ion in three eutectic solvents.

Deep eutectic solvents (DESs) have many advantages, making them a promising alternative in replacing ionic liquids and organic solvents. Besides, DESs have received much prominence due to their diverse applications: Electrodeposition of metals, organic synthesis, gas adsorption, and biodiesel production. Therefore, this work analyzed the effect of the temperature increase (298 K-353 K) on the behavior of the Co ions in three eutectic solvents through electrochemical techniques and computational simulations.

Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations.

Chlorhexidine (CHD), a germicidal drug, has degradation products that can be hemotoxic and carcinogenic. However, there is no consensus in literature about the degradation pathway. In order to shed light on that mechanism, we have employed Density Functional Theory to study reactants, in different protonation states, products and intermediates involved in the different pathways.

A simple and sensitive detection of diquat herbicide using a dental amalgam electrode: a comparison using the chromatographic technique.

This paper describes the use of a dental amalgam electrode (DAE) to evaluate the electrochemical behaviour and to develop an electroanalytical procedure for determination of diquat herbicide in natural water and potato samples. The work was based on the square wave voltammetry responses of diquat, which presented two well-defined and reversible reduction peaks, at -0.56 V (peak 1) and -1.