Yassine Naciri, Wahid Ullah, Mohamed Nawfal Ghazzal et leurs collaborateurs ont publié récemment un article dans Advanced Functional Materials "GeAl 2-2x Fe 2x O 3 (OH) 4 nanotubes: new electrocatalyst for oxygen evolution reaction".

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Ge-imogolite nanotubes (Ge-INT) are analogs of natural clay nanotubes formed in volcanic soils that attract growing interest. Despite their amazing structural properties, their use in water oxidation has not been reported yet. In this work, the potential of Fe-doped double-walled germanium imogolite nanotubes as low-cost and noble metal-free electrocatalysts for oxygen evolution reaction (OER) is demonstrated for the first time. Nanotube samples are synthesized via a one-step hydrothermal method, with Fe substitution ratios x up to 0.075. Fe-doped nanotubes retain their tubular structure, and investigation indicated homogeneous Fe distribution all over the nanotubes. Comprehensive structural, spectroscopic, and electrochemical analyses confirm successful Fe incorporation and enhanced electrochemical performance. The sample with x = 0.05 Fe content shows the best OER performance, achieving a low overpotential of 285 mV at 10 mA cm−2, a Tafel slope of 175 mV dec−1, and excellent charge transfer properties. Fe-doped INT demonstrates strong electrochemical stability over prolonged operation. These results highlight the promising use of geo-inspired Fe-doped imogolite as a sustainable and credible nobel-free electrocatalyst for efficient OER, expanding the potential of imogolite-based nanomaterials in water oxidation.

Ces travaux ont également été mis en lumière par CNRS Chimie dans un communiqué Actualité dans Résultats scientifiques : "Des nanotubes d’argile inspirés de la nature pour produire de l’hydrogène sans métaux précieux"

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Hadrien Jalaber, Oliver Nüsse, Marie Erard et leurs collaborateurs ont publié  récemment  un article dans le journal ACS Chemical Biology "Borinic Acid-Based Fluorogenic Probes as an Alternative to the Amplex Red Assay for Real-Time H2O2 Monitoring in Live Cells"

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Hydrogen peroxide (H2O2) is a crucial reactive oxygen species (ROS) involved in regulating both physiological and pathological processes. Excessive H2O2 production can lead to oxidative stress, contributing to aging, cancer, and neurodegenerative diseases. In contrast to other ROS exhibiting short lifespans, H2O2 is relatively stable, and its spatial and temporal dynamics are central to understanding its pathophysiological role. Therefore, the development of fluorescent probes that are highly selective, sensitive, and capable of a rapid response is still required. To date, numerous fluorescent probes have been developed. Among them, boronic acid triggers have attracted considerable attention but often suffer from limited reactivity, preventing real-time H2O2 monitoring. To overcome this lack of reactivity, we report the design and synthesis of new borinic acid-based fluorogenic probes for H2O2 detection in cellular environments. These probes are based on a hemicyanine scaffold functionalized with the borinic acid trigger, which demonstrated superior kinetics compared to its boronic counterpart. These probes enable efficient real-time monitoring of H2O2 in cellular models, both extracellularly and intracellularly. The kinetics of these enzyme-free chemical probes matched that of the gold standard Amplex UltraRed/horseradish peroxidase (HRP) assay, representing a significant advancement in the field and offering a versatile and sensitive tool for studying H2O2-mediated cell signaling.

Raphaël Vangheluwe, Carine Clavaguéra, Dominik Domin, Nguyen-Thi Van-Oanh et leurs collaborateurs ont publié récemment un article dans ChemPhysChem "Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics-Informed Machine Learning Potential and Particle Swarm Optimization".

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Cet article a fait aussi l'objet de l'image de couverture du journal

Bimetallic Bi–Pt nanoclusters exhibit diverse structural motifs, including core-shell, Janus, and mixed alloy configurations, due to the unique bonding characteristics between Bi and Pt atoms. Using density functional theory refinements from ChIMES physically machine-learned potential and CALYPSO particle swarm optimization global searches, 34 Bi20-Pt20 nanoclusters are systematically classified. The results reveal that Bi atoms predominantly occupy surface sites, driven by charge transfer effects. Cohesive energy trends alone prove insufficient for structure differentiation, necessitating a data-driven approach employing principal component analysis and K-means clustering. Furthermore, vibrational, electronic, and infrared spectral analyses provide additional insights into structure-property relationships. The findings offer an original framework for the automated classification and analysis of bimetallic nanoclusters, enhancing the understanding of their stability and functional properties.

Christophe Humbert et ses collaborateurs ont publié un article dans le journal Applied Surface Sciences Advances  "Equilibrium and dynamics of single-peptide binding to aluminum oxides: Emphasizing the role of local surface charge and hydrophobicity".

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Understanding the interactions between biomolecules and mineral surfaces is a fundamental challenge at the crossroads of colloid science, surface chemistry, and molecular biophysics. While peptides and amino acids are known to bind a variety of metal oxides, our understanding remains limited regarding how local surface characteristics influence these interactions at the nanoscale. This is particularly important for “real surfaces” which intrinsically exhibit heterogenous features that determines their behavior when interacting with biomolecules. Herein, we present a fresh perspective that focuses on probing local surface properties and dipeptide (Glu-Ala) binding on oxides grown on polycrystalline aluminum metal at the single-molecule level. First, a comprehensive surface characterization is performed to resolve the chemical composition and topography of two different native aluminum oxide surfaces. Then, by using atomic force microscopy (AFM) in force spectroscopy mode, we employ chemical force microscopy and colloidal probe techniques to quantify local surface charge and hydrophobicity, revealing noticeable differences between the two studied surfaces. Our findings demonstrate that both free enthalpies of adsorption (ΔadsG°) and kinetic unbinding rates (koff) are highly influenced by the surface characteristics probed locally, and suggest that the interaction of the dipeptide with the surfaces is dominated by van der Waals and hydrogen bonding. Beyond these fundamental insights regarding peptide–mineral interactions, this work provides methodological developments that are relevant for exploring molecular recognition mechanism, particularly on “real” oxide surfaces. Additionally, the implications of our findings extend to the design of peptide-functionalized materials and offer new perspectives on surface-mediated prebiotic chemistry, potentially relevant to the emergence of life on early Earth.

Théo Beguin, Yasmina Bousmah, Audrey Gayral, Romain Dauverné, Hélène Pasquier et  Marie Erard ont publié un article dans Chemistry Methods "BEAM: A Custom-Built and Versatile Optical Setup for Real-Time Monitoring of Absorption and Emission Spectra During Photobleaching of Fluorescent Proteins"

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The article presents bleaching with emission and absorption monitoring (BEAM), a cost-effective and customizable optical setup designed for real-time monitoring of photochemical reactions through simultaneous measurement of absorption and emission spectra. BEAM utilizes readily available optical components such as lamp or laser diodes for excitation, cuvettes for sample containment, and spectrometers for spectral acquisition. Its modular architecture enables precise control over excitation wavelength, sample volume, temperature, and stirring conditions, making it highly adaptable to various experimental needs. The article also proposes a detailed protocol for measuring the effective photon flux density and irradiance across different optical configurations. The system's capabilities are demonstrated through the study of Citrine's photobleaching, a widely used but poorly photostable fluorescent protein (FP). BEAM enables continuous monitoring of Citrine's spectral evolution under different conditions, including excitation laser powers, solution volumes, and protein concentrations. The results revealed complex changes in both absorption and emission spectra during the bleaching process. Nevertheless, the fluorescence intensity of Citrine follows a first-order decay profile, facilitating straightforward kinetic modeling. This allowed determination of key photophysical parameters, such as the photobleaching molar cross section and quantum yield. These findings underscore BEAM's utility for characterizing fluorescent proteins and open pathways for comparative studies with other FPs.

Ce dispositif, disponible au bat 350 de l'ICP, permet de mesurer simultanément des spectres d'absorption et d'émission de fluorescence tout en irradiant l'échantillon pour déclencher des réactions photochimiques. Le dispositif est utilisé pour étudier le photoblanchiment de molécules fluorescentes, mais d'autres applications sont envisageables.

La soutenance de thèse de Baptiste ETCHEVERRY  (groupe ThéoSim) intitulée "Etude par simulation moléculaire de la production d’ions superoxyde chez les NADPH oxydases (NOX)" se déroulera le mercredi 10 décembre 2025 à 14h, en Salle Magat à l'ICP. 

Cette thèse a été réalisée sous la direction d'Aurélien de la Lande et de Fabien Cailliez.

Résumé : Les espèces réactives de l’oxygène (ERO) jouent un rôle central dans de nombreux processus biologiques, mais leur surproduction ou leur déficit sont impliqués dans diverses pathologies. Les NADPH oxydases (NOX) forment une famille d’enzymes transmembranaires spécialisées dans la génération d’ERO et comprendre leur fonctionnement revêt donc une importance capitale. La réduction du dioxygène par les NOX découle d’une chaîne de transfert d’électrons (TE) par le biais de cofacteurs rédox (une flavine et deux hèmes). Si le processus global au sein des NOX est établi, les mécanismes moléculaires précis restent mal compris. La complexité structurale de ces enzymes et le manque de structures expérimentales détaillées expliquent en grande partie ces zones d’ombre. L’objectif de cette thèse est de mieux comprendre la cinétique des transferts d’électrons dans les NOX dans le cadre de la théorie de Marcus. Pour cela, nous avons utilisé des approches basées sur des simulations de dynamique moléculaire afin de déterminer les paramètres qui interviennent dans ces formalismes. L’accent a été mis sur l’isoforme humaine NOX5, récemment résolue par cryo-EM,ainsi que sur deux homologues bactériens : csNOX5 et spNOX.

La Journée d’inauguration de la plateforme MUSIICS aura lieu salle Magat à l’ICP le vendredi 19 décembre 2025. Inscription gratuite mais obligatoire.

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L’Institut de Chimie Physique (ICP) a accueilli le 3 octobre 2025 le Workshop ELYSE consacré à la chimie sous rayonnement, soutenu par l’IRP/CNRS. 

Plusieurs membres de l'ICP ont participé aux Rencontres de Chimie Physique (RCP2025) de la Division de Chimie Physique SCF/SFP qui ont eu lieu à Aussois du 15 au 17 septembre 2025.

Bravo à Thomas Boukéké-Lesplulier qui effectue sa thèse dans le groupe ThéoSim pour avoir gagné le prix de la meilleure communication orale.

"Exploring the mechanisms of damage of biomolecules upon ionising irradiation with numerical simulations"

Le nouvel appel à programmes de l’Institut Pascal est ouvert ! Vous trouverez le texte de cadrage en suivant le lien ci-dessous. La date-limite de soumission est le 14 novembre 2025.

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La journée scientifique de la fédération de Chimie-Physique de Paris-Saclay aura lieu le Vendredi 12 décembre 2025 à l'Institut Chimie Physique, Salle Magat, Bât 349, Université Paris Saclay.

Orateurs invités :

• Agathe Espagne : Département de Chimie, ENS Paris

• Cyrille Costentin : Département de Chimie Moléculaire, Université Grenoble Alpes

La CPPS encourage vivement les jeunes chercheuses et chercheurs (thèse, post doc) de la fédération à présenter leurs travaux. Le comité sélectionnera des contributions pour une présentation orale (15 min + 5 min questions). Toutes les contributions seront présentées lors de la session poster. Un buffet sera proposé le midi. L'inscription est gratuite mais obligatoire et la soumission des contributions s'effectuent sur le site avant le 21 novembre 2021.

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L’atelier thématique ELIXIR2026 se déroulera à SOLEIL, du 9 au 11 mars 2026.

Le développement de sources d’échantillons liquides compatibles avec des environnements sous vide a ouvert la voie à l’utilisation de sources d’irradiations X et XUV pour étudier une grande variété de phénomènes en solution, telles que les dynamiques réactionnelles, la solvatation ou encore la chimie aux interfaces. Ce développement se poursuit et continue d’évoluer avec une amélioration des sources de lumière d’une part, comme les sources lasers basées sur la génération d’harmoniques d’ordres élevés, et une diversification des échantillons liquides avec par exemple le développement de jets liquides plats d’épaisseurs en dessous du micromètre.

Plus d'informations : Site web ELIXIR2026

Les Journées d'Electrochimie auront lieu à Nancy du 29 juin au 3 juillet 2026. « Les Journées d’Électrochimie » est un congrès scientifique bisannuel organisé sous l’égide de la subdivision électrochimie de la Société Chimique de France. Cette manifestation réunit la communauté des électrochimistes pour faire le point sur les avancées majeures du domaine. Programme et inscriptions sur le site web.

Dimitra Markovitsi et ses collaborateurs ont publié  récemment un article dans Physical Chemistry Chemical Physics  "Ultrafast dynamics of the UV-induced electronic relaxation in DNA guanine-thymine dinucleotides: from the Franck-Condon states to the minima of the potential energy surfaces"

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We study the DNA dinucleotide 5′-dGpdT-3′ (abbreviated as GT) as a model system for the relaxation of the electronic excited states in stacked nucleobases. Quantum chemistry calculations determine the Franck–Condon states and follow their evolution along the potential energy surfaces of the two most stable conformers. Three minima, corresponding to an excited charge transfer (1CT) state, a 1ππ* state located on the guanine moiety and a 1nπ* state on the thymine moiety, are identified. Their spectral features are detected in the transient absorption spectra (TAS) recorded for buffered aqueous solutions between 330 and 650 nm with a time-resolution of 30 fs upon excitation at 266 nm. The striking difference between the TAS obtained for GT and an equimolar mixture of the corresponding mononucleosides indicates that the nucleobases are stacked in the majority of the dinucleotide molecules. The 1CT state, in which a charge of 0.8 a.u. is transferred from the guanine to the thymine, is stabilized within 120 fs. The comparison of the GT behaviour with that of 5′-dTpdG-3′, characterized by an opposite polarity and studied previously by the same methodology, reveals that, when the guanine is positioned at the 5′ end, the lifetime of the G+ → T− 1CT state is longer and the corresponding quantum yield higher.

Michèle Desouter-Lecomte et ses collaborateurs ont publié récemment un article dans The Journals of chemicals Physics "Wavepacket and reduced-density approaches for high-dimensional quantum dynamics: Application to the nonlinear spectroscopy of asymmetrical light-harvesting building blocks"

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Excitation-energy transfer (EET) and relaxation in an optically excited building block of poly(phenylene ethynylene) (PPE) dendrimers are simulated using wavepackets with the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method and reduced-density matrices with the hierarchical equations of motion (HEOM) approach. The dynamics of the ultrafast electronic funneling between the first two excited electronic states in the asymmetrically meta-substituted PPE oligomer with two rings on one branch and three rings on the other side, with a shared ring in between, is treated with 93-dimensional ab initio vibronic-coupling Hamiltonian (VCH) models, either linear or with bilinear and quadratic terms. The linear VCH model is also used to calibrate an open quantum system that falls in a computationally demanding non-perturbative non-Markovian regime. The linear-response absorption and emission spectra are simulated with both the ML-MCTDH and HEOM methods. The latter is further used to explore the nonlinear regime toward two-dimensional spectroscopy. We illustrate how a minimal VCH model with the two main active bright states and the impulsive-pulse limit in third-order response theory may provide at lower cost polarization-sensitive time-resolved signals that monitor the early EET dynamics. We also confirm the essential role played by the high-frequency acetylenic and quinoidal vibrational modes.