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Computational assessment of drug-induced effects on the electrocardiogram: from ion channel to body surface potentials

Zemzemi, Nejib; Bernabeu, Miguel O.; Saiz Rodríguez, Francisco Javier; Cooper, Jonathan; Pathmanathan, Pras; Mirams, Gary R.; Pitt-Francis, Joe; Rodríguez, Blanca (Wiley-Blackwell, 2013-01)

BACKGROUND AND PURPOSE Understanding drug effects on the heart is key to safety pharmacology assessment and anti-arrhythmic therapy development. Here our goal is to demonstrate the ability of computational models to ...
Enhanced photochemical [6pi] electrocyclization within the lipophilic protein binding site

Marín Melchor, Mireia; Lhiaubet, Virginie Lyria; Miranda Alonso, Miguel Ángel (American Chemical Society, 2012)

Photocyclization of N-methyldiphenylamine to N-methylcarbazole is achieved within the microenvironment provided by site I of serum albumins. Quantum yield determinations, combined with transient absorption spectroscopic ...
Interactive models of communication at the nanoscale using nanoparticles that talk to one another

Llopis-Lorente, Antoni; Díez, P.; Sánchez, A.; Marcos Martínez, María Dolores; Sancenón Galarza, Félix; Martínez-Ruiz, Paloma; Villalonga, Reynaldo; Martínez-Máñez, Ramón (Nature Publishing Group, 2017-05-30)

[EN] 'Communication' between abiotic nanoscale chemical systems is an almost-unexplored field with enormous potential. Here we show the design and preparation of a chemical communication system based on enzyme-powered Janus ...
Mechanistic Studies on the Photoallergy Mediated by Fenofibric Acid: Photoreactivity with Serum Albumins

Vayá Pérez, Ignacio; Andreu Ros, María Inmaculada; Monje-López, Vicente Tomás; Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel (American Chemical Society, 2016-01)

[EN] The photoreactivity of fenofibric acid (FA) in the presence of human and bovine serum albumins (HSA and BSA, respectively) has been investigated by steady-state irradiation, fluorescence, and laser flash photolysis ...
Triplet Excited States as a Source of Relevant (Bio)Chemical Information

Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel (Bentham Science Publishers, 2014)

[EN] The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet ...

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Browsing by Subject "Drug"

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Browsing by Subject "Drug"