Predicting the Electronic Absorption Band Shape of Azobenzene Photoswitches Simulations based on molecular dynamics coupled to excitation energy calculations were used to generate simulated absorption spectra for a family of halide derivatives of azobenzene, a family of photoswitch molecules with a weak absorption band around 400–600 nm and potential uses in living tissue. This is […]
On the Computational Design of Azobenzene-Based Multi-State Photoswitches In order to theoretically design multi-state photoswitches with specific properties, an exhaustive computational study is first carried out for an azobenzene dimer that has been recently synthesized and experimentally studied. This study allows for a full comprehension of the factors that govern the photoactivated isomerization processes of […]
Estudio de la conversión del leucotrieno A4 a leucotrieno B4 impulsado por leucotrieno A4 hidrolasa Miquel Canyelles Niño LTA4H is a bifunctional zinc metalloenzyme that converts leukotriene A4 (LTA4) into leukotriene B4 (LTB4), one of the most potent chemotactic agents involved in acute and chronic inflammatory diseases. In this reaction, LTA4H acts as an epoxide […]
Understanding how reticulocyte 15-lipoxygenase-1 catalyzes the production of lipoxins in the 5(S),15(S)-DiHpETE biosynthetic pathway Àngels González Lafont La inflamación aguda local de los organismos vivos es un mecanismo de defensa en respuesta a una lesión tisular o contra una invasión de patógenos microbianos. Si se descontrola, evoluciona hacia una crónica y puede conducir a una […]