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 […]
Estudi de la conversió del leucotriè A4 a leucotrieno B4 impulsado por leucotriè 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 hydrolase with […]
Understanding how reticulocyte 15-lipoxygenase-1 catalyzes the production of lipoxins in the 5(S),15(S)-DiHpETE biosynthetic pathway Àngels González Lafont La inflamació aguda local dels organismes vius és un mecanisme de defensa en resposta a una lesió tisular o contra una invasió de patògens microbians. Si es descontrola, evoluciona cap a una crònica i pot conduir a una […]