Research - Departament de Quimica Inorgànica i Orgànica

Department of
Organic Chemistry

Research groups in SQO

R&D has a long tradition in our Section that is currently developed in very diverse areas that are now:

These research lines revolve around Organic Synthesis in all its aspects, with special attention to the development of new synthetic and catalytic methods that give access to sustainable transformations.

Stereoselective Synthesis of Natural Products

Our research revolves around the development of wide-ranging, efficient stereoselective processes based on the reactivity of metal enolates and their application to the synthesis of biologically active compounds.
We are currently involved in the study of direct and enantioselective additions of thioimides catalyzed by chiral nickel(II) complexes for the asymmetric construction of carbon–carbon bonds in alkylation, aldol, Michael, or Mannich reactions.
Likewise, we have launched an ambitious project looking for transition metals able to produce catalytically enolates that may participate in radical transformations.
All in all, our aim is to apply such stereoselective transformations to the synthesis of natural products, which in turn is a source of inspiration and a benchmark for further developments of new, simple, and effective methods of asymmetric synthesis.

Dr. Anna Maria Costa Arnau

Dr. Pedro Romea García

Dr. Fèlix Urpí Tubella

Supramolecular Photochemistry & Catalysis

We use light as a versatile physical tool to drive intricate chemical reactions and to develop a deep understanding of complex systems created with organic synthesis and supramolecular design. Currently, we are working on two large projects:

Synthetic Neurons and Artificial Photoactivated Synapses
Next-Generation Photocatalysts in Metallaphotoredox Catalysis for Organic Synthesis

Dr. Bart Limburg

Sustainable Asymmetric Catalysis Group

We focus on the synergistic combination of different sustainable catalytic tools, including organocatalysis, electrocatalysis and photocatalysis, to develop new activation strategies and reaction paradigms in asymmetric catalysis. Our aim is to design, develop and optimise the new catalytic systems using a knowledge-driven approach that maximises the use of relevant quantitative mechanistic information while minimising the usual empirical optimisation processes based on extensive screening.

Dr. Xavier Companyó Montaner

Dr. Albert Moyano Baldoire

Dr. Alberto Vega Peñaloza

Synthetic Methodology Applied to Bioactive Compounds

a SMBioCom treballem en el desenvolupament de metodologia sintètica que s’ha aplicat a l’obtenció de nous productes amb activitat biològica, en noves síntesis de fàrmacs genèrics i en la preparació de complexes metàl·lics amb propietats magnètiques d’interès tecnològic.També hem treballat en en l’estudi de problemes metabòlics i mediambientals.

Dr. Jordi Garcia Gomez

Dr. Xavier Ariza Piquer

Dr. Paul Lloyd-Williams

Unitat de Recerca en Síntesi Asimètrica

La Unitat de Recerca en Síntesi Asimètrica (URSA) és un grup d’investigació d l’Institut de Recerca Biomèdica (IRB Barcelona) ubicat al Parc Científic de Barcelona.

El grup, dirigit pels Drs. Antoni Riera i Xavier Verdaguer, professors del Departament de Química Orgànica de la Universitat de Barcelona, té com a activitat principal la síntesi enantioselectiva de compostos amb activitat biològica. Els objectius del grup són l’elaboració de noves seqüències sintètiques basades en reaccions enantioselectives, així com el desenvolupament de noves metodologies de síntesi asimètrica.

Dr. Antoni Riera Escalé

Dr. Xavier Verdaguer i Espaulella

Encompasses lines that explore processes of molecular recognition, self-assembly (at equilibrium and out of equilibrium), the emergence of supramolecular chirality, and the preparation and characterization of organic materials. This research area is situated at the interface between organic chemistry, physical chemistry and biology.

Chirality Emergence, Amplification, and Transfer

We study the supramolecular chirality emerging from achiral amphiphilic molecules undergoing spontaneous mirror symmetry breaking during their intermolecular homoassociation processes. We place special focus on the multi-length scale communication effects involved in the transfer of chirality across various hierarchical levels of self-organization, from the macroscopic world to the nanoscale, and their relevance in relation to the origin of biological homochirality.

Dr. Joaquim Crusats Aliguer

Materiales orgánicos

Un dels principals reptes de la investigació del grup de Materials orgànics serà la programació de diferents propietats (òptiques, electròniques, luminiscents o magnètiques) en elastòmers monocristall líquids (LSCE), és a dir, xarxes de polímers dèbilment entrellaçats que combinen l’elasticitat convencional amb l’ordre molecular de llarg abast dels cristalls líquids, que arriba al nivell macroscòpic.

Dra. Maria Dolores Velasco Castrillo

Dr. Jaume Garcia Amorós

Non-Equilibrium Supramolecular Self-Assembly Lab

Our research focuses on developing novel functional multi-component supramolecular systems and materials with unique life-like properties by mimicking the non-equilibrium strategies that living systems use to organize matter over multiple length scales. This involves implementing fuel-driven dissipative self-assembly under compartmentalized open conditions, as well as leveraging reaction-diffusion phenomena to achieve precise spatiotemporal control over assembly pathways, whilst gaining fundamental insight into the pathway complexity underlying molecular self-assembly. We use a multidisciplinary approach involving organic synthesis, supramolecular chemistry, numerical modelling (of reaction networks), and (micro)fluidics.

Dr. Alessandro Sorrenti

Self organized complexity and self assembled materials

We prepare monovalent and divalent ligands for the proteins avidin and streptavidin.

These ligands are then used to prepare bio-organic materials such as protein monolayers and multilayers.

Dr. Joan-Anton Farrera Piñol

Supramolecular Active Materials Lab

The ability to produce structures & functions on demand and to adapt to the environment is a unique feature of the living system. We aim to incorporate some of the characteristics of life into the design of functional nanomaterials. We synthesize and study self-assembly of functional molecules into supramolecular polymers, either under equilibrium or under out-of-equilibrium conditions, to develop nanomaterials for sensing, diagnostics, nanomedicine etc.

Dr. Mohit Kumar

Supramolecular Photochemistry & Catalysis

We use light as a versatile physical tool to drive intricate chemical reactions and to develop a deep understanding of complex systems created with organic synthesis and supramolecular design. Currently, we are working on two large projects:

Synthetic Neurons and Artificial Photoactivated Synapses
Next-Generation Photocatalysts in Metallaphotoredox Catalysis for Organic Synthesis

Dr. Bart Limburg

This area includes lines of research that explore the theoretical foundations of chemical reactivity and the study of processes that are not accessible experimentally, as well as structural elucidation and the study of reaction mechanisms using spectroscopic tools such as NMR, IR and UV-vis.

Lab in Computational Organic Chemistry

My research takes off from two main lines, which are interconnected and mutually reinforcing. First, the study of aromaticity in organic and metal systems, with tools derived from the electron-pair density, in order to analyze the electronic structure and molecular bonding in a wide range of molecular systems. The main focus now is on the 3D aromaticity of the boron clusters. I have also become an expert in the application of Kohn-Sham molecular orbital theory supplemented with quantitative bond energy decomposition analyses to the analysis of non-covalent interactions. I have approached experimentation by studying the selectivity in the DNA replication mechanism taking into account the study of the steric shape, hydrogen bonds, pi-stacking and solvent effects in natural and artificial DNA bases.

Dr. Jordi Poater Teixidor

Biomolecular NMR

We use Nuclear Magnetic Resonance, together with chemical biology tools and other biophysical techniques to study intrinsically disordered regions in signaling proteins involved in cancer. Our current projects are focused on the c-Src and c-Yes kinases and the use of NMR for the study the higher order structure of biotechnology generated drugs known as “Biologics”

Dr. Miquel Pons Vallés

Quantum Simulation of Biological Processes

Our research is focused on the computer simulation of biological processes at atomic-electronic detail, i.e. using computers to understand how biomolecules work. Our goal is to simulate the molecular mechanisms underlying enzymatic reactions, guiding the design of more efficient enzymes and drugs. Currently we are focused on unveiling chemical reactions in carbohydrate-active enzymes of biomedical and biotechnological relevance, such as the enzymes responsible of hydrolyzing and synthesizing heparin, glycogen or cellulose.

Dra. Carme Rovira Virgili

Supramolecular Photochemistry & Catalysis

We use light as a versatile physical tool to drive intricate chemical reactions and to develop a deep understanding of complex systems created with organic synthesis and supramolecular design. Currently, we are working on two large projects:

Synthetic Neurons and Artificial Photoactivated Synapses
Next-Generation Photocatalysts in Metallaphotoredox Catalysis for Organic Synthesis

Dr. Bart Limburg

Theoretical and Computational Organic Chemistry

Classical and quantum optimal control theories refer to a set of methods to devise and implement shapes of external mechanical, electric, and electromagnetic fields that manipulate classical and quantum dynamical processes at the atomic or molecular scale in the best way possible. For this purpose, we are developing:

1. Models and algorithms related to classical and quantum optimal control applied in chemistry.

2. Theoretical and computational study of the open-shell electronic structure of organic molecules.

3. Quantum devices based on optimal control.

Dr. Josep Maria Bofill Villà

The objectives of the research lines included in this area range from the study of biological processes with chemical tools to the synthesis of molecules of potential pharmacological and medical interest.

Chemical biology and therapeutic applications of nucleic acids

Our research is focused on the design, synthesis and biological evaluation of chemically modified nucleosides and oligonucleotides of biomedical and biotechnological interest, with a special focus on stimuli-responsive multi-target oligonucleotide tools for the treatment of complex pathologies such as cancer.

Dra. Montserrat Terrazas Martinez

Light-activatable molecules for bioimaging and therapeutic applications

Our research focuses on the development of light-activatable chemical tools for both bioimaging and therapeutic applications, with a particular emphasis on photodynamic therapy (PDT) and photopharmacology. We are also investigating new targeted drug delivery strategies based on the conjugation of bioactive compounds to peptides and antibodies, as well as the use of nanocarriers. In addition to synthesizing new light-activatable drug molecules, we also evaluate their biological activity in cellular and animal models. At present, we are primarily engaged in four key projects:

New coumarin-based fluorophores with operability in the NIR region for theragnostic applications.
Next-generation photosensitizing drugs based on organic dyes and transition metal complexes for anticancer PDT.
Innovative coumarin-based photolabile protecting groups (PPGs) for photopharmacology.
Novel targeted drug delivery strategies based on bioconjugation and nanoformulations.

Dr. Vicente Marchán Sancho

Dr. Albert Gandioso Ubieto

Biomolecular NMR

We use Nuclear Magnetic Resonance, together with chemical biology tools and other biophysical techniques to study intrinsically disordered regions in signaling proteins involved in cancer. Our current projects are focused on the c-Src and c-Yes kinases and the use of NMR for the study the higher order structure of biotechnology generated drugs known as “Biologics”

Dr. Miquel Pons Vallés

Quantum Simulation of Biological Processes

Our research is focused on the computer simulation of biological processes at atomic-electronic detail, i.e. using computers to understand how biomolecules work. Our goal is to simulate the molecular mechanisms underlying enzymatic reactions, guiding the design of more efficient enzymes and drugs. Currently we are focused on unveiling chemical reactions in carbohydrate-active enzymes of biomedical and biotechnological relevance, such as the enzymes responsible of hydrolyzing and synthesizing heparin, glycogen or cellulose.

Dra. Carme Rovira Virgili

Synthesis and Structure of Nucleic Acids

Nucleic acids are conformationally highly flexible and, beyond the well-known double helix, they can adopt a wide range of alternative structures named as non-canonical (Z-DNA, triplex, quadruplex,..). The biological relevance of non-canonical structures is firmly supported by multiple experimental evidences and, therefore, such motifs are specially interesting as possible therapeutic targets. Our research is focussed on the detailed structural study of non-canonical forms of nucleic acids by using NMR techniques.

Working lines:

I-motif structures.
Interfaces between different structural motifs.
Chemically modified nucleic acids. Impact of the chemical modifications on the folding and stability of the structures.

Dr. Núria Escaja Sanchez

Grupo de Péptidos Terapéuticos

We design and synthesize therapeutic peptides, particularly cyclic peptide antibiotics and anticancer peptidomimetics. We perform the initial in vitro proof-of-concept, by ourselves or in collaboration. After selection of the peptide-based candidates, we evaluate their in vivo activity to proof efficacy and low toxicity. We have collaborations throughout Europe to perform pharmacokinetics, histopathology, toxicity, biophysics and efficacy studies. Our long-term objective consists of finding therapeutic candidates useful for clinical development.

Dr. Francesc Rabanal Anglada

Unitat de Recerca en Síntesi Asimètrica

La Unitat de Recerca en Síntesi Asimètrica (URSA) és un grup d’investigació d l’Institut de Recerca Biomèdica (IRB Barcelona) ubicat al Parc Científic de Barcelona.

El grup, dirigit pels Drs. Antoni Riera i Xavier Verdaguer, professors del Departament de Química Orgànica de la Universitat de Barcelona, té com a activitat principal la síntesi enantioselectiva de compostos amb activitat biològica. Els objectius del grup són l’elaboració de noves seqüències sintètiques basades en reaccions enantioselectives, així com el desenvolupament de noves metodologies de síntesi asimètrica.

Dr. Antoni Riera Escalé

Dr. Xavier Verdaguer i Espaulella