Vol. 116 No. 1 (2020)

Resumen: La presente revisión trata de reflejar la evolución de la química de los arinos a lo largo de los últimos 40 años haciendo especial hincapié en los resultados del grupo de investigación del que el autor forma parte.
Palabras clave: Arinos, bencinos, bisarinos, bisbencinos.
Abstract: The present review tries to reflect the evolution of the chemistry of the arynes throughout the last 40 years with special emphasis on the results of the author’s research group.
Keywords: Arynes, benzynes, bisarynes, bisbenzynes.

Resumen: En este artículo se presenta un resumen sobre las posibilidades que ofrece la química computacional en el ámbito de la reactividad química en sistemas biológicos. Basado en estudios teóricos QM/MM llevados a cabo en nuestro laboratorio, se muestran algunos ejemplos de reacciones enzimáticas con diferentes objetivos, desde desvelar el origen de su extraordinario poder catalítico hasta aplicaciones en el diseño de inhibidores o de nuevos biocatalizadores. Los primeros tendrán una aplicación en la síntesis de fármacos más potentes y selectivos, mientras que nuevos biocatalizadores pueden tener un gran impacto en muchos sectores de la industria.
Palabras clave: Catálisis Enzimática, Dinámica Molecular, Superficies de Energía Libre, QM/MM, Simulaciones Teóricas.
Abstract: This article presents a summary of the possibilities offered by computational chemistry in the field of the chemical reactivity in biological systems. Based on QM/MM theoretical studies carried out in our laboratory, several examples of enzymatic reactions with different objectives are shown, from revealing the origin of their extraordinary catalytic power to applications in the design of inhibitors or biocatalysts. The former will have an application in the synthesis of more potent and selective drugs, while new biocatalysts can have a great impact on many sectors of the industry.
Keywords: Enzyme Catalysis, Molecular Dynamics, Free Energy Surfaces, QM/MM, Theoretical Simulations.

A very simple way to take quantitatively the spectroscopic analysis to secondary classroom is described. In addition, this proposal allows us to approach in these levels the ever-difficult content of quantum behavior in the light-matter interaction, smart phone.

In 2019, the 150th year of the publication of Mendeleyev’s periodic table has been celebrated. Its form and content has evolved but fundamentally, sorting them elements according to properties and similarities of chemical behaviour, have been maintained. There have been acts, publications, etc. sometimes with little to do with chemistry just sorting itself according to one of the typical forms of the table, but without justification, especially ignoring the periodicity of properties. This work discusses some of these cases and proposes some examples.

This article includes information on the proposal approved in the plenary session of the Madrid City Council held on January 28, 2020, to honor the work of the scientist Andrés Manuel del Río (1764-1849), born in Madrid, through several initiatives. His work has been widely highlighted during the celebration of the International Year of the Periodic Table (2019), especially in Spain and Mexico (his host country), for being the discoverer of erythronium (current vanadium). In addition, other related aspects are briefly mentioned, such as relationships between science and municipal policies, and del Río’s biography.

Keywords: Andrés Manuel del Río, discovery of vanadium, history of science, Madrid, science and politics