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Recent bioinformatics studies on protein structure databases have revealed that one third of all known proteins have their structure stabilized by non-covalent interactions between sulfur and pi electrons of aromatic groups, called S-pi interactions. Due to the change in the electron orbitals, S-pi

The effects of nanoporous confinement on the fundamental properties of condensed matter are numerous. A general understanding of the phase behaviour, dynamic and transport properties of nanoconfined fluids has been acquired for the last two decades from abundant studies that have addressed different

In this project I will develop new spectroscopy approaches that will allow one to obtain unprecedented structural information of drug molecules throughout the whole pharmaceutical process. High resolution structure determination ideally of unmodified drugs (i) in their free form, but also (ii) in co

The AQUILASCENT project proposes to analyze the chemical composition of agarwood (oud) by focusing on the volatile constituents responsible for the characteristic odor of this very valuable natural raw material. The identification of impact odorants will be achieved by a combination of one- and two-

Taking into account nuclear quantum effects (NQE) during the simulation of electronic spectra in condensed phase is a complex task. However, these effects tend to broaden the shape and modify the positions of the electronic bands. Include NQEs will enable at the end to enhance the prediction of ele

The combination of photoswitches (PS) and Metal-Organic Frameworks (MOFs) results in materials with extraordinary properties. Understanding interactions occurring inside such host-guest systems represents a key step to pave the way towards advanced functional materials. Since the properties of the g

Our project aims at developing a novel concept in analytical science, called microscale 2D magneto-electrography (2D-ME). This concept will allow two simultaneous orthogonal migration dimensions in the same microchannel: electrophoresis under a high electric field and magnetophoresis under a powerfu

This project aims at the development, use and implementation of conceptual DFT (C-DFT) descriptors derived from excited states calculations and dedicated to the study of chemical reactivity and selectivity, both for the ground and excited states. To this end, we propose in a first part to extend our

Sugar - protein interactions are crucial for the development of new drugs that interact specifically with their therapeutic targets. Photodynamic therapy (PDT) strategies use Mannose-decorated photosensitizers (PS) to target Mannose Receptor Proteins (MRP) overexpressed on tumor cells. A priority in

The RFM project is aimed at developing original biocompatible, versatile, tunable, and reversible redox-responsive fluorescent metallocene-based probes able to target cell membranes and/or subcellular organelles. Biocompatible reversible fluorescent probes that respond reversibly to a redox signal a

Organometallic complexes are present in many fields, from catalysis to biological applications and photophysics. To better understand their activity or their chemical behavior, the study of their structural properties at the molecular level is of great interest. In particular, the ligands that surro

Immunohistochemistry (IHC) combined with fluorescence microscopy provides an important and widely used tool for biologists and pathologists to image multiple biomarkers in tissue specimens. However, multiplex IHC using standard fluorescence microscopy is generally limited to 3-5 different biomarkers

Transition metal dichalcogenides (TMDs) are chemically versatile and layered materials which exhibit sizable bandgaps depending on crystal symmetry, composition, and phase. Once exfoliated, such materials exhibit peculiar layer- and environment-dependent phenomena such as band gap increase and indir

The TC4SC project aims at developing new theoretical tools that can be applied to describe strongly correlated molecular systems. The strongly correlated systems are implied in many important physico-chemical applications (for instance, transition metals ions are implied in catalisys or biological

Metabolomics seeks to define the complete composition of small molecular weight metabolites in biological samples. It offers enormous potential for the identification of biomarkers to follow the evolution of an individual, to detect a pathology as early as possible and to predict and follow the resp

The abundant quantities of flax found in good states of preservation in Egypt make this material a unique source of investigation for reconstructing the history of ancient Egyptian techniques and life. The iSOPALIN project proposes a multi-isotopic study of flax fibres found in archaeological contex

Chemical reactions are of fundamental interest, and are the principal means to access new chemical structures and properties. Real-time reaction monitoring is a powerful approach to describe, understand and optimise chemical reactions. An array of analytical methods is available for reaction monitor

Low energy electrons (LEEs), a few eV, are abundantly produced during the irradiation of matter by ionizing radiation, without any precise knowledge of the mechanisms of their formation and relaxation in the environment. We will study by a coupled experimental/theoretical approach the photo-ionizat

The main objective of the AUTOCAT project, through a partnership between LEM and CRPP, is to develop a generic approach of molecular-based signal amplification for the development of ultrasensitive bioassays. The point-of-care detection of pathogens such as viruses, bacteria, or even more broadly of

Photochromic molecules or molecular complexes can reversibly switch between two forms with different absorption spectra upon the absorption of light. Biocompatible red photochromic systems are increasingly employed in the life sciences as highly valuable tools like in super-resolution fluorescence m

Due to different biological properties of enantiomers, the control of chirality of drug is an issue of utmost importance in pharmaceutical industry. For therapeutic peptides, partial epimerization of constitutive L-amino acid into their D form represents an acute matter of concern in the monitoring

CARNYX aims at establishing table-top femtosecond extreme ultraviolet photoelectron spectroscopy as a new tool for ultrafast inorganic chemistry. We will develop an innovative table-top experimental setup with femtosecond temporal resolution and atomic sensitivity. The novel methodology that we will

Singlet fission (SF) is a spin-allowed process involving at least two organic chromophores in which a photo-generated singlet exciton (S1S0) can spontaneously down-convert to give two lower-energy triplet excitons (T1+T1) with a theoretical quantum yield of triplet formation up to 200%. Hence, it of

Vibrational circular dichroism (VCD) is the very small difference in absorption by a chiral molecule between right- and left- circularly polarized light, in the infrared (IR) range. It is an extremely sensitive probe of molecular interactions, conformational changes, and organization of solids. The

Molecular chirality plays a central role in the field of pharmaceutical chemistry. While one of the two enantiomers of a chiral active principal ingredient induces the expected bioactivity on the biological target (eutomer), the other may lead to different effects, ranging from no activity to potent

Major recent technological advances have made quantum computers a reality. Now equipped with hundreds quantum bits (qubits), platforms with more than thousand qubits are expected in the years to come. Solving the electronic structure problem in quantum chemistry has been identified as the “killer ap

Over the last ten years, the development of two-dimensional (2D) semiconductor materials for new functional optoelectronic devices has been greatly stimulated by the outbreak of ultrathin nanostructures with thickness controlled at the atomic level. Among them, colloidal nanoplatelets (NPLs) of meta

The GlowCryst project propose a radically new approach to protein crystallography based on supramolecular coordination chemistry. Realizing that the three main steps -purification, crystallisation, and structure resolution- are all potential locks, this approach will take up those three challenges i

The chemistry of icy giant planets such as Neptune and Uranus has recently attracted the attention of the scientific community. The mantle of these planets is mainly composed of a dense fluid mixture of water, methane and ammonia. The extreme pressure and temperature conditions (T> 1000 K, and P> 3