stability of At-radiopharmaceuticals: on the impact of halogen bond formation.

At, when coupled to a targeting agent, is one of the most promising radionuclides for therapeutic applications. The main labelling approach consists in the formation of astatoaryl compounds, which often show a lack of stability. The hypothesis that halogen bond (XB) interactions with protein functional groups initiate a deastatination mechanism is investigated through radiochemical experiments and DFT modelling.

Fractional loop delays in adaptive optics modeling and control.

This paper revisits the problem of optimal (minimum variance) control for adaptive optics (AO) systems when measurement and command applications are asynchronous, resulting in a non-integer servo loop delay. When not properly accounted for, such fractional delays may severely degrade the AO performance, especially in the presence of high-frequency vibrations. We present evidence of this performance degradation thanks to in-lab experimental measurements on the Gran Telescopio Canarias Adaptive Optics (GTCAO) system controlled with standard suboptimal linear quadratic Gaussian (LQG) controllers.

Pourbaix Diagram of Astatine Revisited: Experimental Investigations.

The Pourbaix diagram of an element displays its stable chemical forms with respect to the redox potential and pH of the solution, whose knowledge is fundamental for understanding and anticipating the chemistry of the element in a specified solution. Unlike most halogens, the Pourbaix diagram in the aqueous phase for astatine (At, = 85) is still under construction. In particular, the predominant domains of two astatine species assumed to exist under alkaline conditions, At and AtO(OH), need to be refined.

The p Hydrogen-Bond Basicity Scale: From Molecules to Anions.

The p (logarithm of complexation constant of 4-fluorophenol with bases) hydrogen-bond basicity scale of neutral hydrogen-bond acceptors (HBAs) is extended to anionic HBAs. The scale is constructed for 26 anions through (i) the infrared measurement of on NBuX ion pairs in CCl, (ii) the estimation of from linear free energy relationships between measured values and literature values for various phenols in polar solvents, and (iii) the computation of at the density functional theory level in CCl. The scale extends on a 9.

Electrochemistry-coupled to liquid chromatography-mass spectrometry-density functional theory as a new tool to mimic the environmental degradation of selected phenylurea herbicides.

and experimental models, mainly based on cell cultures, animals, healthy humans and clinical trials, are useful approaches for identifying the main metabolic pathways. However, time, cost, and matrix complexity often hinder the success of these methods. In this study, we propose an alternative non-enzymatic method, using electrochemistry (EC) coupled to liquid chromatography (LC) - high resolution mass spectrometry (HRMS) - DFT theoretical calculations (EC/LC-MS/DFT) for the mimicry/simulation of the environmental degradation of phenylurea herbicides, and for the mechanism elucidation of this class of herbicides.