Department (s)
Organic and Inorganic Chemistry

Members

Humberto González-Díaz; Sonia Arrasate; Iratxe Barbolla; Carlos Santiago; Brenda Fundora

Keywords

Chemical Synthesis, Catalysis, C-H activation, asymmetric catalysis,
Cheminformatics, Machine-Learning

Description

Our projects are focused on the development of synthetic methodology based on organometallic
chemistry and asymmetric catalysis, and applied to the synthesis and functionalization of heterocyclic
systems, potentially active compounds, natural products or drugs. We also carry out interdisciplinary
projects that involve computational chemistry and machine learning (ML) tools for reactivity prediction,
and for the design of biologically active molecules

Lines of Research

1. - TRANSITION METAL-CATALYZED REACTIONS IN THE SYNTHESIS AND FUNCTIONALIZATION OF
2. HETEROCYCLES
3. -COMPUTATIONAL MODELS FOR THE PREDICTION OF CHEMICAL REACTIVITY, BIOLOGICAL ACTIVITY
4. AND TOXICITY

Equipment

• ATR IR spectrophotometer JASCO FT/IR-4100LE
• WATERS HPLC systems with diodo detectors (and several chiral phase columns)
• GC-MS System Agilent 7890A/5975C,
• digital polarimeter JASCO-P-2000,
• ozonator,
• Shaker hydrogenation apparatuses Parr 3911 (up to 5 bar),
• Immersion coolers HAAKE EK-90 (-40oC to -100oC)
• MW reactor CEM Discover Lab Mate (Mod. 908010)

Website link

https://www.ehu.eus/en/web/oms/home

Contact

esther.lete@ehu.es
nuria.sotomayor@ehu.es