Institut de Chimie Radicalaire

Benchmarking Core-Level X-ray Absorption with MRSF-TDDFT, RASPT2, and Stochastic GAS Using the XABOOM Set

Abstract Rapid advances in X-ray free-electron laser facilities are producing X-ray absorption spectra (XAS) with unprecedented detail, creating a pressing need for theoretical methods that are both accurate and computationally efficient to interpret subtle spectral features. In...

Up to 16% Optical Carbon‐13 Hyperpolarization of Donor–Acceptor Molecules at 14.1 T

ABSTRACT Solid‐state nuclear magnetic resonance (NMR) is a powerful technique for structure determination with applications ranging from biology to material sciences. However, its inherent low sensitivity prevents many applications. In solids, optical hyperpolarization techniques...

Design, Synthesis,and Evaluation of Alkoxyamine AnticancerProdrugs Bearing Galactoside as an Enzyme-Activated Trigger

Abstract Enzyme-induced cytotoxicity can be considered the main challenge in modern cancer therapy that provides unique opportunities for targeted apoptosis. To address this challenge, we implemented enzyme-triggered activation of alkoxyamine–galactose conjugates with the formati...