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Development of innovative NMR methods enabling in-depth characterization of therapeutic antibodies batches – NMR4mAbs
The aim of NMR4mAbs project is to develop innovative Nuclear Magnetic Resonance (NMR) tools to better characterize the impact of chemical modifications on structure of monoclonal Antibodies (mAbs) clinical batches. So far, 2D NMR spectra of methyl groups of therapeutic antibodies at natural abundanc
DecipheRing Early steps of self-assembly of AMYloid forming peptides – DREAMY
The DREAMY project aims at deciphering the early steps of the self-assembly process of amyloid peptides, which is key to several biomolecular processes among which uncurable diseases such as Alzheimer Disease. Several studies have already brought information on the aggregation of this class of pepti
Ion Transport across a Liquid-Liquid Interface for metal extraction – ITALLIX
Recycling without polluting is one of the current challenges addressed to chemistry, requesting innovative systems for liquid-liquid extraction. Moreover, an optimal separation in a large-scale continuous process of flowing solutions, rather than static baths, needs to be examined when new chemical
NanORaMan for understanding electrocatALysis – TERS_NORMAL
Tailoring new catalytic systems requires to understand their reaction mechanisms and thus fundamental studies on model surfaces such as those provided by metallic single crystals. In this project, we will build a library of electrocatalytic surfaces Pd@Pt and Pd@Au that resist CO poisoning. Their pr
Physico-Chemical investigations of sedimentary gas hydrates reproducing their natural geo-environment. – HYDRACLAY
Natural methane hydrates (NGH)– formed from the reaction of pore fluids and gases within sediments - occur at cold seeps on continental margins and in the permafrost of the Polar Regions. They represent the largest methane reservoir on Earth, and fuel the development of a large variety of chemosynth
Decorating Disordered Proteins with Gold NanoClusters: Synthesis, Structure and Molecular Sensing Capabilities – nanoGOLD
Atomically precise gold nanoclusters (Au-NCs) are a class of nanomolecules carrying unique optoelectronic properties with a broad range of technological and therapeutic applications. Moving from single to 1-dimensional assemblies of Au-NCs is envisioned to boost their optoelectronic capabilities lea
Ultraviolet Photodissociation and Hydrogen/Deuterium Exchange for Biomolecule Structure and Oxidation – UPHEBOS
The general context of the UPHEBOS project is that of protein conformation and structure analysis by mass spectrometry based techniques. The aim is to develop a complete UVPD/MS/MS methodology for amide hydrogen-deuterium exchange mass spectrometry based analysis of protein structure at the amino-ac
Design of magnetic MOF by machine learning methods – MagDesign
Two- and three-dimensional coordination polymers are conceptually the result of a fantastic Lego game. Indeed, their crystalline framework is the result of the arrangement of elementary components: a metal site, associated with a redox ligand, and a counter-ion inserted into the cavities of the meta
Luminescence detection of exchangeable Copper(II) traces in biological fluids – CuTrace
Copper (Cu) is an essential trace element for most living beings. Most copper is tightly bound to proteins. Only very little copper is labile bound to biomolecules and can rather rapidly be exchanged or transferred. This exchangeable pool mainly exists extracellularly, where Cu is predominantly pres
Mass spectrometry for more Efficient Green Organic Production by Electrocatalysis – MEGOPE
Biomass is the largest source of renewable carbon, so there is a rapidly growing interest on its use for production of decarbonized organic compounds, from fuels to specific. Transformation of biomass derivates to valuable products by electrocatalytic methods is a promising technology. However, the
Deciphering the dynamic interplay of lipids and membrane proteins by High Pressure NMR/modelling – UnderPressure
Lipids and proteins are the main components of cell membranes. Although their mutual interactions and dynamics govern many cell functions, we are still far from a complete description of these interactions. In the UnderPressure project we will exploit and further develop an analytical method that we
Mapping electronic orbitals in the transmission electron microscope – ORBITEM
The direct observation of electronic states is elusive, although being responsible for chemical bonding and driving most physical, chemical and mechanical properties of materials. This project aims at breaking this barrier, and fostering electronic orbital mapping at the atomic scale, using electron
Ambient Water-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging – DEADPOOL
A better understanding of biological mechanisms requires the collection of molecular information in its spatiotemporal dimension. Imaging technologies bring the spatial dimension, but only in vivo imaging ones can add the time dimension to reach dynamic studies. Mass Spectrometry Imaging (MSI) is a
MAssively Parallelized Polarizable Linear-scaling QM/MM for Enzymatic catalysis – MAPPLE
Elucidating the mechanisms of enzymatic reactions is fundamental for designing more efficient biomimetic catalysts or protein mutants with enhanced catalytic activity. Accurate modeling of a multi-step catalytic cycle imposes three essential requirements: (i) a high-level quantum description of the
Isomer-selected spectroscopy of interstellar ions – iSELECTION
iSELECTION aims to reveal the molecular composition of the interstellar medium by solving the challenging puzzle of the ubiquitously observed Diffuse Interstellar Bands (DIBs). Their identification is mandatory to constrain the carbon life cycle at work in extra-terrestrial environments, to determin
VIbrational Probes for redox Enzyme ExploRation – VIPER
Redox enzymes are at the heart of a wide range of bioenergetic processes essential for all living organisms. They operate under mild conditions with high specificity, low overpotential and high turnover rates. Deciphering “how redox enzymes operate” is a prerequisite before harnessing their outstand
REAL-time high resolution mass spectrometry analysis to optimize biomass catalYTIC pyrolysis – REALYTIC
Fossil fuels, in particular oils, have an impact on our environment. The release of greenhouse gases contributes to current global warming. Carbon neutral energies must be developed. The production of electricity from nuclear, solar, hydraulic, or wind power contributes to reducing greenhouse gas em
Modelling RNA structures usinG chEmical probiNg daTA – MAGENTA
RNA molecules are involved in most steps of the genetic expression. Although it is fundamental to understand their function, the experimental determination of the 3D structure of RNA molecules remains difficult and the number of structures available is limited. A common experimental method to invest
Correlative imaging of crosstalk between single entities in metal alloys – OCTAWA
The intermetallic phases, impurities, crystallographic grains and grain boundaries (further called “single entities”) of metal alloys tend to cluster with the formation of a complex network of interactions once exposed to a conductive medium. The crosstalk between these entities is electrochemical i
PhotoCORM-based nanomaterials for antimicrobial therapeutics – PANTHERA
Antibiotic-resistant bacteria are threatening a worldwide resurgence of deadly infections in men and animals. Fighting these bacteria is a global public health issue. Carbon monoxide (CO), which is involved in multiple biological processes, can inhibit bacterial growth. Remarkably, CO-releasing mole
Unraveling vacancies and interfaces of zinc oxysulfide nanocrystals using DNP and NMR spectroscopy – IVAN
Semiconductor nanocrystals (NCs) also called quantum dots, made of zinc oxide (ZnO) or zinc sulfide (ZnS), are promising materials for applications, such as opto-electronics, optical bioimaging, solar cells and photocatalysis. However, their application is limited by their wide band energy gap that
When nonlinearity meets complexity: a controlled radio-frequency MASER for dynamic nuclear polarization (DNP) – DynNonlinPol
This project aims at investigating fundamental aspects of nonlinear magnetization dynamics of hyperpolarized spins by Dynamic Nuclear Polarization (DNP) in high magnetic fields at liquid Helium temperatures using an electronically controlled NMR maser. Dynamic nuclear polarization (DNP) can drive nu
Multiscale Simulations to Unveil the Role of Divalent Cations in Ribozyme Catalysis – MUSIRICAT
The goal of this project is to develop a multiscale simulation strategy enabling the study of how the reactivity of charged biomolecules is affected by slow environment fluctuations, including ion reorganization. In particular, we will apply it towards understanding cation and sequence-dependent ef
PhOton Piling in UPconverting lanthanide clusters – POPUP
The POPUP project aims at developing new heteropolynuclear complexes based on lanthanide ions for upconversion (UC) at the molecular scale in solution. The UC phenomenon allows to obtain a light emission at higher energy than the excitation, offering a spectral signature free of interference such as
Hyperpolarised glutamine as a biomolecular metabolism tracker – PolarGlu
This project aims at developing methods and hardware in nuclear magnetic resonance (NMR) spectroscopy enhanced by dissolution dynamic nuclear polarisation (D-DNP) to study in real time the cellular metabolism of glutamine. This amino acid and its metabolism is involved in cellular energetic path
Finding the Origin of Crystallizing Systems with Nuclear Magnetic Resonance – FOCS-NMR
The goal of this proposal is to use nuclear magnetic resonance (NMR) and dynamic nuclear polarization (DNP) to investigate crystallization processes of calcium carbonate, one of the most abundant material on earth. Importantly, calcium carbonate is involved in the global carbon cycle, but its crysta
Correlated quantum-chemistry methods for solids – CLIFFORD
The CLIFFORD project aims to describe crystalline solids with correlated quantum-chemistry approaches such as configuration interaction and coupled cluster theory. These methods have already been applied with much success to atoms and molecules but a general approach for solids is still lacking. The