Publications : 2023

Formation of Alginate/Chitosan Interpenetrated Networks Revealed by EPR Spectroscopy

Joly Jean-Patrick, Aricov Ludmila, Balan George-Alin, Popescu Elena Irina, Mocanu Sorin, Leonties Anca Ruxandra, Matei Iulia, Marque Sylvain R. A., Ionita Gabriela
GELS, 9 (2023) 

In Situ Generation of n-Type Dopants by Thermal Decarboxylation

Anies Filip, Nugraha Mohamad I., Fall Arona, Panidi Julianna, Zhao Yuxi, Vanelle Patrice, Tsetseris Leonidas, Broggi Julie, Anthopoulos Thomas D., Heeney Martin
ADVANCED FUNCTIONAL MATERIALS, 33 (2023) 

Ditopic Covalent Cage for Ion-Pair Binding: Influence of Anion Complexation on the Cation Exchange Rate

Delecluse Magalie, Manick Anne-Doriane, Chatelet Bastien, Chevallier-Michaud Sabine, Moraleda Delphine, de Riggi Innocenzo, Dutasta Jean-Pierre, Martinez Alexandre
CHEMPLUSCHEM, (2023) 

Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

Komarov Konstantin, Park Woojin, Lee Seunghoon, Huix-Rotllant Miquel, Choi Cheol Ho
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 19 7671--7684 (2023) 

Magnetic functionalization of ZnO nanoparticles surfaces via optically generated methyl radicals

Marin D., Gerbaud G., Margeat O., Ziarelli F., Ferrer F., Ouari O., Campos A., Bertaina S., Savoyant A.
JOURNAL OF CHEMICAL PHYSICS, 158 (2023) 

Redox-crippled MitoQ potently inhibits breast cancer and glioma cell proliferation: A negative control for verifying the antioxidant mechanism of MitoQ in cancer and other oxidative pathologies

Cheng Gang, Karoui Hakim, Hardy Micael, Kalyanaraman Balaraman
FREE RADICAL BIOLOGY AND MEDICINE, 205 175--187 (2023) 

Self-assembly of textits-indacene-tetrone on Cu(111): molecular trapping and patterning of Cu adatoms

Kalashnyk Nataliya, Denawi Adam Hassan, Dumur Frederic, Gigmes Didier, Bouju Xavier, Clair Sylvain
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 10591--10598 (2023) 

Role of electron polarization in nuclear spin diffusion

Chessari Alessandro, Cousin Samuel F., Jannin Sami, Stern Quentin
PHYSICAL REVIEW B, 107 (2023) 

Degradable polyisoprene by radical ring-opening polymerization and application to polymer prodrug nanoparticles

Lages Maelle, Pesenti Theo, Zhu Chen, Le Dao, Mougin Julie, Guillaneuf Yohann, Nicolas Julien
CHEMICAL SCIENCE, 14 3311--3325 (2023) 

OXPHOS-targeting drugs in oncology: new perspectives

Kalyanaraman Balaraman, Cheng Gang, Hardy Micael, You Ming
EXPERT OPINION ON THERAPEUTIC TARGETS, 27 939--952 (2023) 

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

Venkatesh Amrit, Casano Gilles, Rao Yu, De Biasi Federico, Perras Frederic A., Kubicki Dominik J., Siri Didier, Abel Sebastien, Karoui Hakim, Yulikov Maxim, Ouari Olivier, Emsley Lyndon
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 62 (2023) 

RAFT-Mediated Emulsion Polymerization-Induced Self-Assembly for the Synthesis of Core-Degradable Waterborne Particles

Galanopoulo Paul, Gil Noemie, Gigmes Didier, Lefay Catherine, Guillaneuf Yohann, Lages Maelle, Nicolas Julien, D'Agosto Franck, Lansalot Muriel
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 62 (2023) 

Controlled oligomeric guest stacking by cucurbiturils in water

Liu Fengbo, Kriat Amine, Rosas Roselyne, Berge-Lefranc David, Gigmes Didier, Pascal Simon, Siri Olivier, Liu Simin, Kermagoret Anthony, Bardelang David
ORGANIC & BIOMOLECULAR CHEMISTRY, 21 9433--9442 (2023) 

New Biocompatible β-Phosphorylated Linear Nitrones Targeting Mitochondria: Protective Effect in Apoptotic Cells

Culcasi Marcel, Delehedde Caroline, Esgulian Mathieu, Cassien Mathieu, Chocry Mathieu, Rockenbauer Antal, Pietri Sylvia, Thetiot-Laurent Sophie
CHEMBIOCHEM, (2023) 

Antiproliferative effects of mitochondria-targeted textitN-acetylcysteine and analogs in cancer cells

Cheng Gang, Hardy Micael, Kalyanaraman Balaraman
SCIENTIFIC REPORTS, 13 (2023) 

Degradable vinyl polymer particles by radical aqueous emulsion copolymerization of methyl methacrylate and 5,6-benzo-2-methylene-1,3-dioxepane

Galanopoulo Paul, Sinniger Laura, Gil Noemie, Gigmes Didier, Lefay Catherine, Guillaneuf Yohann, Lages Maelle, Nicolas Julien, D'Agosto Franck, Lansalot Muriel
POLYMER CHEMISTRY, 14 1224--1231 (2023) 

On the Redox Properties of the Dimers of Thiazol-2-ylidenes That Are Relevant for Radical Catalysis

Delfau Ludivine, Assani Nadhrata, Nichilo Samantha, Pecaut Jacques, Philouze Christian, Broggi Julie, Martin David, Tomas-Mendivil Eder
ACS ORGANIC & INORGANIC AU, 3 136--142 (2023) 

Degradable Latexes by Nitroxide-mediated Aqueous Seeded Emulsion Copolymerization Using a Thionolactone

Lages Maelle, Gil Noemie, Galanopoulo Paul, Mougin Julie, Lefay Catherine, Guillaneuf Yohann, Lansalot Muriel, D'Agosto Franck, Nicolas Julien
MACROMOLECULES, 56 7973--7983 (2023) 

Challenges and Opportunities of Functionalized Cucurbiturils for Biomedical Applications

Yin Hang, Cheng Qian, Bardelang David, Wang Ruibing
JACS AU, 3 2356--2377 (2023) 

Synergistic approach of type I hybrid complexes for highly efficient metal-based initiating strategies: Toward low energy-consuming polymerization for thermoplastic composite implementation

Le Dot Marie, Giacoletto Nicolas, Morlet-Savary Fabrice, Graff Bernadette, Monnier Valerie, Gigmes Didier, Nechab Malek, Dumur Frederic, Gerard Pierre, Lalevee Jacques
EUROPEAN POLYMER JOURNAL, 186 (2023) 

Synthesis and Characterization of Face-to-Face Arylsulfanyl and Phenoxyl Radicals Embedded in Mesoporous Silicas

Nabokoff Pierre, Brulay Guillaume, Dol Cyrielle, Gerbaud Guillaume, Guigliarelli Bruno, Etienne Emilien, Bloch Emily, Ziarelli Fabio, Besson Eric, Gastaldi Steiphane
JOURNAL OF PHYSICAL CHEMISTRY C, 127 9699--9706 (2023) 

Diethyl (5-Benzyl-2-(4-(textitN′-hydroxycarbamimidoyl)phenyl)-5-methyl-4,5-dihy drofuran-3-yl)phosphonate

Leon Oscar Leonardo Avendano, Curti Christophe, Moncorvo Fabiana Maia Santos Urbancg, Kabri Youssef, Redon Sebastien, Torres-Santos Eduardo Caio, Paoli-Lombardo Romain, Vanelle Patrice
MOLBANK, 2023 (2023) 

Preparation and study of poly(9-methylcarbazole) and poly (9-ethylcarbazole) films by electrochemical oxidation of monomers and dimers

Taouil Abdeslam Et, Lakard Sophie, Dumur Frederic, Contal Emmanuel, Lakard Boris
SYNTHETIC METALS, 300 (2023) 

Mitochondria-targeted atovaquone promotes anti-lung cancer immunity by reshaping tumor microenvironment and enhancing energy metabolism of anti-tumor immune cells

Xiong Donghai, Yin Zheng, Huang Mofei, Wang Yian, Hardy Micael, Kalyanaraman Balaraman, Wong Stephen T., You Ming
CANCER COMMUNICATIONS, (2023) 

Bio-based captodative ligands for redox polymerization of Elium® thermoplastic composites under mild conditions

Giacoletto Nicolas, Le Dot Marie, Cherif Hizia, Morlet-Savary Fabrice, Graff Bernadette, Monnier Valerie, Gigmes Didier, Dumur Frederic, Olleik Hamza, Maresca Marc, Gerard Pierre, Nechab Malek, Lalevee Jacques
GREEN CHEMISTRY, 25 8226--8240 (2023) 

Customizable and Reconfigurable Surface Properties of Printed Micro-objects by 3D Direct Laser Writing via Nitroxide Mediated Photopolymerization

Belqat Mehdi, Wu Xingyu, Morris Jason, Mougin Karine, Petithory Tatiana, Pieuchot Laurent, Guillaneuf Yohann, Gigmes Didier, Clement Jean-Louis, Spangenberg Arnaud
ADVANCED FUNCTIONAL MATERIALS, 33 (2023) 

Photoinitiating Ability of Pyrene-Chalcone-Based Oxime Esters with Different Substituents

Zhang Xiaoxiang, Liu Zheng, Zhu Di, Peng Xiaotong, Gigmes Didier, Schmitt Michael, Xiao Pu, Dumur Frederic, Lalevee Jacques
MACROMOLECULAR CHEMISTRY AND PHYSICS, 224 (2023) 

Polarizing agents for efficient high field DNP solid-state NMR spectroscopy under magic-angle spinning: from design principles to formulation strategies

Menzildjian Georges, Schlagnitweit Judith, Casano Gilles, Ouari Olivier, Gajan David, Lesage Anne
CHEMICAL SCIENCE, 14 6120--6148 (2023) 

4-(5-Benzyl-3-((4-fluorophenyl)sulfonyl)-5-methyl-4, 5-dihydrofuran-2-yl)-2-nitrobenzamide

Avendano Leon Oscar Leonardo, Curti Christophe, El-Kashef Hussein, Kabri Youssef, Redon Sebastien, Vanelle Patrice
MOLBANK, 2023 (2023) 

Preparation and textitIn Vitro Validation of a Cucurbit[7]uril-Peptide Conjugate Targeting the LDL Receptor

Yang Xue, Varini Karine, Godard Magali, Gassiot Fanny, Sonnette Rose, Ferracci Geraldine, Pecqueux Belinda, Monnier Valerie, Charles Laurence, Maria Sebastien, Hardy Micael, Ouari Olivier, Khrestchatisky Michel, Lecorche Pascaline, Jacquot Guillaume, Bardelang David
JOURNAL OF MEDICINAL CHEMISTRY, 66 8844--8857 (2023) 

Recyclable/degradable materials via the insertion of labile/cleavable bonds using a comonomer approach

Lefay Catherine, Guillaneuf Yohann
PROGRESS IN POLYMER SCIENCE, 147 (2023) 

2C protein of Enterovirus: key protein of viral replication and antiviral target

El Kazzi Priscila, Yaacoub Carole, Fajloun Ziad, Vanelle Patrice, Decoly Etienne, Coutard Bruno, Barral Karine
VIROLOGIE, 27 35--49 (2023) 

Large cross-effect dynamic nuclear polarisation enhancements with kilowatt inverting chirped pulses at 94 GHz

Zhao Yujie, El Mkami Hassane, Hunter Robert I., Casano Gilles, Ouari Olivier, Smith Graham M.
COMMUNICATIONS CHEMISTRY, 6 (2023) 

5,12-Dihydroindolo[3,2-textita]Carbazole Derivatives-Based Water Soluble Photoinitiators for 3D Antibacterial Hydrogels Preparation

Chen Hong, Borjigin Timur, Regeard Christophe, Xiao Pu, Dumur Frederic, Lalevee Jacques
SMALL, 19 (2023) 

A fast and efficient method for the analysis of ?-dicarbonyl compounds in aqueous solutions: Development and application

Brun Nicolas, Gonzalez-Sanchez Juan Miguel, Demelas Carine, Jean-Louis Clement, Monod Anne
CHEMOSPHERE, 319 (2023) 

textitN-[1-(2-Chlorophenyl)-2-1-methyl-5-nitro-4-[(phenylsulfonyl )methyl]-1textitH-imidazol-2-ylethyl]-4-methylbenzenesulfonamide

Paoli-Lombardo Romain, Primas Nicolas, Castera-Ducros Caroline, Jacquet Ines, Rathelot Pascal, Vanelle Patrice
MOLBANK, 2023 (2023) 

Long-term rain exclusion in a Mediterranean forest: response of physiological and physico-chemical traits of textitQuercus pubescens across seasons

Laoue Justine, Havaux Michel, Ksas Brigitte, Tuccio Beatrice, Lecareux Caroline, Fernandez Catherine, Ormeno Elena
PLANT JOURNAL, 116 1293--1308 (2023) 

Cytochrome c-silver nanoparticle interactions: Spectroscopy, thermodynamic and enzymatic activity studies

Liu Wei, Berge-Lefranc David, Chaspoul Florence, Slaveykova Vera I.
CHEMICO-BIOLOGICAL INTERACTIONS, 382 (2023) 

A pH- and Metal-Actuated Molecular Shuttle in Water

Kriat Amine, Pascal Simon, Kauffmann Brice, Ferrand Yann, Berge-Lefranc David, Gigmes Didier, Siri Olivier, Kermagoret Anthony, Bardelang David
CHEMISTRY-A EUROPEAN JOURNAL, 29 (2023) 

Polyacrylate-Cholesterol Amphiphilic Derivative: Formulation Development and Scale-up for Health Care Applications

Viola Marco, Migliorini Claudia, Ziarelli Fabio, Viel Stephane, Cencetti Claudia, Di Risola Daniel, Mosca Luciana, Masuelli Laura, Matricardi Pietro, Di Meo Chiara
JOURNAL OF FUNCTIONAL BIOMATERIALS, 14 (2023) 

Exploiting solid-state dynamic nuclear polarization NMR spectroscopy to establish the spatial distribution of polymorphic phases in a solid material

Cousin Samuel F., Hughes Colan E., Ziarelli Fabio, Viel Stephane, Mollica Giulia, Harris Kenneth D. M., Pinon Arthur C., Thureau Pierre
CHEMICAL SCIENCE, 14 10121--10128 (2023) 

Gamma, E-Beam and X-ray Irradiations on PE/EVOH/PE Multilayer Film: An Industrial Point of View Regarding the Impact on Mechanical Properties

Girard-Perier Nina, Marque Sylvain R. A., Dupuy Nathalie, Krieguer Blanche, Dorey Samuel
POLYMERS, 15 (2023) 

Understanding the Impact of Symmetrical Substitution on the Photodynamics of Sinapate Esters Using Gas-Phase Ultrafast Spectroscopy

Dalton Jack, Toldo Josene M., Allais Florent, Barbatti Mario, Stavros Vasilios G.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 14 8771--8779 (2023) 

Dynamic Covalent Bond: Modes of Activation of the C-ON Bond in Alkoxyamines

Audran Gerard, Bagryanskaya Elena G., Bikanga Raphael, Coote Michelle L., Guselnikova Olga, Hammill Chelsey L., Marque Sylvain R. A., Mellet Philippe, Postnikov Pavel S.
PROGRESS IN POLYMER SCIENCE, 144 (2023) 

Ionic conductivity of solid polymer electrolytes depending on elongation

Jeanne-Brou Roselyne, Charvin Nicolas, de Moor Gilles, Flandin Lionel, Issa Sebastien, Phan Trang N. T., Bouchet Renaud, Devaux Didier
ELECTROCHIMICA ACTA, 469 (2023) 

Photoinitiation Mechanisms of Novel Phenothiazine-Based Oxime and Oxime Esters Acting as Visible Light Sensitive Type I and Multicomponent Photoinitiators

Noon Adel, Hammoud Fatima, Graff Bernadette, Hamieh Tayssir, Toufaily Joumana, Morlet-Savary Fabrice, Schmitt Michael, Bui Thanh-Tuan, Rico Alexandre, Goubard Fabrice, Peralta Sebastien, Dumur Frederic, Lalevee Jacques
ADVANCED MATERIALS TECHNOLOGIES, (2023) 

Preparation of nitro-phenothiazine-based oxime esters as dual photo/thermal initiators for 3D printing

Zhang Xiaoxiang, Peng Xiaotong, Zhu Di, Zhang Yijun, Le Dot Marie, Ozen Serife, Schmitt Michael, Morlet-Savary Fabrice, Xiao Pu, Dumur Frederic, Lalevee Jacques
JOURNAL OF POLYMER SCIENCE, (2023) 

6-Chloro-3-nitro-8-(phenylthio)-2-[(phenylthio)methyl] imidazo[1,2-textita]pyridine

Paoli-Lombardo Romain, Primas Nicolas, Hutter Sebastien, Bourgeade-Delmas Sandra, Boudot Clotilde, Castera-Ducros Caroline, Jacquet Ines, Courtioux Bertrand, Azas Nadine, Rathelot Pascal, Vanelle Patrice
MOLBANK, 2023 (2023) 

Photoinitiation behavior of phenothiazines containing two oxime ester functionalities (OXEs) in free radical photopolymerization and 3D printing application

Zhang Yijun, Morlet-Savary Fabrice, Schmitt Michael, Graff Bernadette, Rico Alexandre, Ibrahim-Ouali Malika, Dumur Frederic, Lalevee Jacques
DYES AND PIGMENTS, 215 (2023) 

LIPONANOPARTICLES AS A NOVEL DELIVERY SYSTEM FOR MRNA VACCINES AGAINST VHSV

Porter D., Peruzzi M., Ayad C., Levraud J. P., Trimaille T., Verrier B., Collet B., Boudinot P.
DEVELOPMENTAL AND COMPARATIVE IMMUNOLOGY, 148 (2023) 

Automatic Rhodopsin Modeling with Multiple Protonation Microstates

Cardenas Gustavo, Ledentu Vincent, Huix-Rotllant Miquel, Olivucci Massimo, Ferre Nicolas
JOURNAL OF PHYSICAL CHEMISTRY A, 127 9365--9380 (2023) 

Low-Symmetry Macrocycles and Cages for Carbohydrate Recognition

Manick Anne-Doriane, Dutasta Jean-Pierre, Martinez Alexandre
CHEMPLUSCHEM, 88 (2023) 

Surface hopping modeling of charge and energy transfer in active environments

Toldo Josene M., do Casal Mariana T., Ventura Elizete, do Monte Silmar A., Barbatti Mario
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 8293--8316 (2023) 

Navigating Healthcare's Dual Fronts - Balancing Quality and the Environment

Andrieu Baptiste, Roche Manon, Simeone Pierre, Leone Marc, Marie Benjamin De Sainte, Andre Baptiste, Boyer Laurent, Zieleskiewicz Laurent, Fond Guillaume
REVUE D EPIDEMIOLOGIE ET DE SANTE PUBLIQUE, 71 (2023) 

Solvent Effects and pH Dependence of the X-ray Absorption Spectra of Proline from Electrostatic Embedding Quantum Mechanics/Molecular Mechanics and Mixed-Reference Spin-Flip Time-dependent Density-Functional Theory

Alias-Rodriguez Marc, Bonfrate Simone, Park Woojin, Ferre Nicolas, Choi Cheol Ho, Huix-Rotllant Miquel
JOURNAL OF PHYSICAL CHEMISTRY A, 127 10382--10392 (2023) 

Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics

Cabral Tenorio Bruno Nunes, Pedersen Jacob, Barbatti Mario, Decleva Piero, Coriani Sonia
JOURNAL OF PHYSICAL CHEMISTRY A, 128 107--117 (2023) 

Efficient Synthesis of Aminoquinolinium and Aminoquinazolinium Salt Series: Amination or textitN -Alkylation First?

Casanova Marion C., Fil Maximilien, Zhao Yuxi, Azas Nadine, Redon Sebastien, Vanelle Patrice, Broggi Julie
SYNLETT, 34 1685--1688 (2023) 

Long-term characterization of a radiolabeled hydrogel after intrastriatal injection in rats to improve post-stroke brain repair

Hugues N., Pin-Barre C., Nachar O., Nail V., Balasse L., Guillet B., Trimaille T., Laurin J., Garrigue P.
EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING, 50 S457--S458 (2023) 

Polarization Amplification in Dynamic Nuclear Polarization Magic-Angle Spinning Solid-State Nuclear Magnetic Resonance by Solubilizing Traditional Ionic Salts

Ferrer Florian, Juramy Marie, Jabbour Ribal, Cousin Samuel, Ziarelli Fabio, Mollica Giulia, Thureau Pierre, Viel Stephane
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 14 9619--9623 (2023) 

Optically Enhanced Solid-State textlessSUPtextgreater1textless/SUPtextgreaterH NMR Spectroscopy

De Biasi Federico, Hope Michael A., Avalos Claudia E., Karthikeyan Ganesan, Casano Gilles, Mishra Aditya, Badoni Saumya, Stevanato Gabriele, Kubicki Dominik J., Milani Jonas, Ansermet Jean-Philippe, Rossini Aaron J., Lelli Moreno, Ouari Olivier, Emsley Lyndon
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 145 14874--14883 (2023) 

The Diversity of Cucurbituril Molecular Switches and Shuttles

Kermagoret Anthony, Bardelang David
CHEMISTRY-A EUROPEAN JOURNAL, (2023) 

The diversification of the antimicrobial peptides from marine worms is driven by environmental conditions

Bruno Renato, Boidin-Wichlacz Celine, Melnyk Oleg, Zeppilli Daniela, Landon Celine, Thomas Frederic, Cambon Marie-Anne, Lafond Mickael, Mabrouk Kamel, Massol Francois, Hourdez Stephane, Maresca Marc, Jollivet Didier, Tasiemski Aurelie
SCIENCE OF THE TOTAL ENVIRONMENT, 879 (2023) 

A review on recently proposed oxime ester photoinitiators

Hammoud Fatima, Hijazi Akram, Schmitt Michael, Dumur Frederic, Lalevee Jacques
EUROPEAN POLYMER JOURNAL, 188 (2023) 

Carbazole-fused coumarin based oxime esters (OXEs): efficient photoinitiators for sunlight driven free radical photopolymerization

Zhang Yijun, Liu Zheng, Borjigin Timur, Graff Bernadette, Morlet-Savary Fabrice, Schmitt Michael, Gigmes Didier, Dumur Frederic, Lalevee Jacques
GREEN CHEMISTRY, 25 6881--6891 (2023) 

Compatibility of ethylene vinyl acetate (EVA)/ethylene vinyl alcohol (EVOH)/EVA films with gamma, electron-beam, and X-ray irradiation

Ni Yelin, Bisel Tucker T., Hasan Md Kamrul, Li Donghui, Fuchs Witold K., Cooley Scott K., Nichols Larry, Pharr Matt, Dupuy Nathalie, Marque Sylvain R. A., Murphy Mark K., Pillai Suresh D., Dorey Samuel, Fifield Leonard S.
NPJ MATERIALS DEGRADATION, 7 (2023) 

On the short and long phosphorescence lifetimes of aromatic carbonyls

Mukherjee Saikat, Kar Moumita, Bhati Mansi, Gao Xing, Barbatti Mario
THEORETICAL CHEMISTRY ACCOUNTS, 142 (2023) 

Pyrolysis temperature effect on electrical properties and ethane storage capacity of bimodal porous synthetic carbon

Ahmed W., Jeidi H., Djeridi W., Ben Mansour N., Llewellyn P. L., Dahman H., El Mir L.
INDIAN JOURNAL OF PHYSICS, 97 1769--1779 (2023) 

Plasmon-Assisted Chemistry Using Chiral Gold Helicoids: Toward Asymmetric Organic Catalysis

Bainova Polina, Joly Jean-Patrick, Urbanova Marie, Votkina Daria, Erzina Mariia, Vokata Barbora, Trelin Andrii, Fitl Premysl, Audran Gerard, Vanthuyne Nicolas, Vinklarek Jaromir, Svorcik Vaclav, Postnikov Pavel, Marque Sylvain R. A., Lyutakov Oleksiy
ACS CATALYSIS, 13 12859--12867 (2023) 

Surface Modification of 3D-Printed Micro- and Macro-Structures via In Situ Nitroxide-Mediated Radical Photopolymerization

Wu Xingyu, Leuschel Benjamin, Nam Nguyen Hoai, Guillaneuf Yohann, Gigmes Didier, Clement Jean-Louis, Spangenberg Arnaud
ADVANCED FUNCTIONAL MATERIALS, (2023) 

Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods

Barneschi Leonardo, Kaliakin Danil, Huix-Rotllant Miquel, Ferre Nicolas, Filatov(Gulak) Michael, Olivucci Massimo
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 19 8189--8200 (2023) 

Novel thienopyrimidones targeting hepatic and erythrocytic stages of Plasmodium parasites with increased microsomal stability

Lagardere Prisca, Mustiere Romain, Amanzougaghene Nadia, Hutter Sebastien, Casanova Marion, Franetich Jean-Francois, Tajeri Shahin, Malzert-Freon Aurelie, Corvaisier Sophie, Since Marc, Azas Nadine, Vanelle Patrice, Verhaeghe Pierre, Primas Nicolas, Mazier Dominique, Masurier Nicolas, Lisowski Vincent
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 261 (2023) 

Novel Thiazolidine-2,4-dione-trimethoxybenzene-thiazole Hybrids as Human Topoisomerases Inhibitors

Sinicropi Maria Stefania, Ceramella Jessica, Vanelle Patrice, Iacopetta Domenico, Rosano Camillo, Khoumeri Omar, Abdelmohsen Shawkat, Abdelhady Wafaa, El-Kashef Hussein
PHARMACEUTICALS, 16 (2023) 

Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors

Piris Patricia, Buric Duje, Yamasaki Toshihide, Huchede Paul, Rossi Mailys, Matteudi Melanie, Montero Marie-Pierre, Rodallec Anne, Appay Romain, Roux Christine, Combes Sebastien, Pasquier Eddy, Castets Marie, Andre Nicolas, Bremond Paul, Carre Manon
CHEMICAL SCIENCE, 14 7988--7998 (2023) 

The OpenMolcas textitWeb: A Community-Driven Approach to Advancing Computational Chemistry

Manni Giovanni Li, Galvan Ignacio Fdez., Alavi Ali, Aleotti Flavia, Aquilante Francesco, Autschbach Jochen, Avagliano Davide, Baiardi Alberto, Bao Jie J., Battaglia Stefano, Birnoschi Letitia, Blanco-Gonzalez Alejandro, Bokarev Sergey I., Broer Ria, Cacciari Roberto, Calio Paul B., Carlson Rebecca K., Couto Rafael Carvalho, Cerdan Luis, Chibotaru Liviu F., Chilton Nicholas F., Church Jonathan Richard, Conti Irene, Coriani Sonia, Cuellar-Zuquin Juliana, Daoud Razan E., Dattani Nike, Decleva Piero, de Graaf Coen, Delcey Mickael G., De Vico Luca, Dobrautz Werner, Dong Sijia S., Feng Rulin, Ferre Nicolas, Filatov (Gulak) Michael, Gagliardi Laura, Garavelli Marco, Gonzalez Leticia, Guan Yafu, Guo Meiyuan, Hennefarth Matthew R., Hermes Matthew R., Hoyer Chad E., Huix-Rotllant Miquel, Jaiswal Vishal Kumar, Kaiser Andy, Kaliakin Danil S., Khamesian Marjan, King Daniel S., Kochetov Vladislav, Krosnicki Marek, Kumaar Arpit Arun, Larsson Ernst D., Lehtola Susi, Lepetit Marie-Bernadette, Lischka Hans, Rios Pablo Lopez, Lundberg Marcus, Ma Dongxia, Mai Sebastian, Marquetand Philipp, Merritt Isabella C. D., Montorsi Francesco, Morchen Maximilian, Nenov Artur, Nguyen Vu Ha Anh, Nishimoto Yoshio, Oakley Meagan S., Olivucci Massimo, Oppel Markus, Padula Daniele, Pandharkar Riddhish, Phung Quan Manh, Plasser Felix, Raggi Gerardo, Rebolini Elisa, Reiher Markus, Rivalta Ivan, Roca-Sanjuan Daniel, Romig Thies, Safari Arta Anushirwan, Sanchez-Mansilla Aitor, Sand Andrew M., Schapiro Igor, Scott Thais R., Segarra-Marti Javier, Segatta Francesco, Sergentu Dumitru-Claudiu, Sharma Prachi, Shepard Ron, Shu Yinan, Staab Jakob K., Straatsma Tjerk P., Sorensen Lasse Kragh, Tenorio Bruno Nunes Cabral, Truhlar Donald G., Ungur Liviu, Vacher Morgane, Veryazov Valera, Voss Torben Arne, Weser Oskar, Wu Dihua, Yang Xuchun, Yarkony David, Zhou Chen, Zobel J. Patrick, Lindh Roland
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 19 6933--6991 (2023) 

Unraveling the reaction mechanism of AlCl3 Lewis acid catalyzed acylation reaction of pyrene from the perspective of the molecular electron density theory

Abel Idrice Adjieufack, Anouk Gaudel-Siri, Marc Gingras, Didier Siri
NEW JOURNAL OF CHEMISTRY, 47 1925-1934 (2023) 

Recent advances on photoinitiating systems designed for solar photocrosslinking polymerization reactions

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 189 (2023) 

Development of an Efficient Thionolactone for Radical Ring-Opening Polymerization by a Combined Theoretical/Experimental Approach

Bastien Luzel, Noemie Gil, Patrick Desiree, Julien Monot, Didier Bourissou, Didier Siri, Didier Gigmes, Blanca Martin-Vaca, Catherine Lefay, Yohann Guillaneuf
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 145 27437-27449 (2023) 

Temperature effects on the internal conversion of excited adenine and adenosine

Ritam Mansour, Josene M. Toldo, Saikat Mukherjee, Max Pinheiro Jr, Mario Barbatti
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 25 27083-27093 (2023) 

Ultrafast Spin Crossover Photochemical Mechanism in [FeII(2,2′-bipyridine)3]2+] Revealed by Quantum Dynamics

Marc Alias-Rodriguez, Swarnendu Bhattacharyya, Miquel Huix-Rotllant
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 14 8571-8576 (2023) 

On the importance of multiphase photolysis of organic nitrates on their global atmospheric removal

Juan Miguel Gonzalez-Sanchez, Nicolas Brun, Junteng Wu, Sylvain Ravier, Jean-Louis Clement, Anne Monod
ATMOSPHERIC CHEMISTRY AND PHYSICS, 23 5851-5866 (2023) 

Recent advances on naphthoquinone-based photoinitiators of polymerization

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 193 (2023) 

Recent advances on Anthraquinone-based photoinitiators of polymerization

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 191 (2023) 

Recent advances on water-soluble photoinitiators of polymerization

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 189 (2023) 

The IMSCal approach to determine collision cross section of multiply charged anions in traveling wave ion mobility spectrometry

Isaure Sergent, Abel Idrice Adjieufack, Anouk Gaudel-Siri, Didier Siri, Laurence Charles
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 492 (2023) 

3D/4D Printing of Polyurethanes by Vat Photopolymerization

Jessica Mauriello, Romain Maury, Yohann Guillaneuf, Didier Gigmes
ADVANCED MATERIALS TECHNOLOGIES, 8 (2023) 

The future of visible light photoinitiators of polymerization for photocrosslinking applications

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 187 (2023) 

Recent Advances on Quinoxaline-Based Photoinitiators of Polymerization

Frederic Dumur
CATALYSTS, 13 (2023) 

Recent Advances in Monocomponent Visible Light Photoinitiating Systems Based on Sulfonium Salts

Frederic Dumur
POLYMERS, 15 (2023) 

Recent advances on photobleachable visible light photoinitiators of polymerization

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 186 (2023) 

Recent advances on visible light bodipys and related difluoroborane structures-based photoinitiating systems

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 196 (2023) 

Recent Advances on Furan-Based Visible Light Photoinitiators of Polymerization

Frederic Dumur
CATALYSTS, 13 (2023) 

Recent advances on diaryliodonium-based monocomponent photoinitiating systems

Frederic Dumur
EUROPEAN POLYMER JOURNAL, 195 (2023) 

Ynamides in Radical Reactions: A Route to Original Persubstituted 2-Aminofurans

Aurelien Galibert-Guijarro, Dominique Mouysset, Liliane Mimoun, Michele P. Bertrand, Laurence Feray
JOURNAL OF ORGANIC CHEMISTRY, 88 2464-2473 (2023) 

Novel Synthesis of Pyrido[2,3-b ]quinoxaline-3-carboxylate Derivatives via One-Pot Buchwald Amination-Cyclization

Majdi Hajri, Omar Khoumeri, Raoudha Abderrahim, Thierry Terme, Patrice Vanelle
SYNTHESIS-STUTTGART, (2023) 

Iodine/Sulfinates: Rapid and Convenient Thiolation of Imidazo Heterocycles without Additives

Sebastien Redon, Anne-Sophie Mendes, Patrice Vanelle
SYNLETT, 34 1723-1726 (2023) 

Recent progress in nuclear magnetic resonance strategies for time-resolved atomic-level investigation of crystallization from solution

Marie Juramy, Giulia Mollica
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE, 63 (2023) 

An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operators

Simone Bonfrate, Nicolas Ferre, Miquel Huix-Rotllant
JOURNAL OF CHEMICAL PHYSICS, 158 (2023) 

Internal Dynamics and Modular Peripheral Binding in Stimuli-Responsive 3:2 Host:Guest Complexes

H. Yin, R. Rosas, S. Viel, M. Giorgi, V. Monnier, L. Charles, D. Siri, D. Gigmes, Y. Nassar, F. Chevallier, C. Bucher, R. Wang, A. Kermagoret, D. Bardelang
Angew. Chem. Int. Ed., 63 e202315985 (2023)