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A Novel Integrated Way for Deciphering the Glycan Code for the FimH Lectin

Eva-Maria Krammer , Julie Bouckaert , Rostyslav Bilyy , Ralf Blossey , Sabine Szunerits et al.
Molecules, 2018, 23 (11), pp.2794. ⟨10.3390/molecules23112794⟩
Journal articles hal-02360571v1
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Combined TD-DFT-SOS-CIS(D) Study of BOPHY Derivatives with Potential Application in Biosensing

Miguel-Armando Ponce-Vargas , Cloé Azarias , Denis Jacquemin , Boris Le Guennic
Journal of Physical Chemistry B, 2017, 121 (48), pp.10850-10858. ⟨10.1021/acs.jpcb.7b09698⟩
Journal articles hal-01660897v1

Synthesis and cytotoxic activity of 3-benzimidazolyl-chalcones derivatives

Aboudramane Kone , Mahama Ouattara , Doumadé Zon , Anne-Caroline Chany , Sylvain Collet et al.
World Journal of Pharmaceutical Research, 2018
Journal articles hal-02392452v1
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Polyvalent Transition‐State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases

Coralie Assailly , Clarisse Bridot , Amélie Saumonneau , Paul Lottin , Benoit Roubinet et al.
Chemistry - A European Journal, 2020, ⟨10.1002/chem.202004672⟩
Journal articles hal-03003079v1
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Rational modification, synthesis and biological evaluation of N-substituted phthalazinone derivatives designed to target interleukine-15 protein

Jimmy Smadja , Agnès Quéméner , Mike Maillasson , Benoit Sicard , Aurélien Leray et al.
Bioorganic & Medicinal Chemistry Letters, 2021, 39, pp.116161. ⟨10.1016/j.bmc.2021.116161⟩
Journal articles inserm-03214947v3

Synthesis of Ribonucleosidic Dimers with an Amide Linkage from D-Xylose

Laurence Arzel , Didier Dubreuil , Fabrice Denes , Virginie Silvestre , Monique Mathé-Allainmat et al.
Journal of Organic Chemistry, 2016, 81 (22), pp.10742-10758. ⟨10.1021/acs.joc.6b01822⟩
Journal articles hal-02141340v1

[4+2]/HyBRedOx Approach to C-Naphthyl Glycosides: Failure in the Projuglone Series and Reinvestigation of the HyBRedOx Sequence

Lucie Maingot , Nguyen Quang Vu , Sylvain Collet , Andre Guingant , Arnaud Martel et al.
European Journal of Organic Chemistry, 2009, 3, pp.412-422. ⟨10.1002/ejoc.200800655⟩
Journal articles hal-02143947v1
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Second Coordination Sphere Effects in an Evolved Ru Complex Based on Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis

Nataliia Vereshchuk , Roc Matheu , Jordi Benet-Buchholz , Muriel Pipelier , Jacques Lebreton et al.
Journal of the American Chemical Society, 2020, 142 (11), pp.5068-5077. ⟨10.1021/jacs.9b11935⟩
Journal articles hal-03085843v1
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Discovery of a Small-Molecule Inhibitor of Interleukin 15: Pharmacophore-Based Virtual Screening and Hit Optimization

Agnès Quéméner , Mike Maillasson , Laurence Arzel , Benoit Sicard , Romy Vomiandry et al.
Journal of Medicinal Chemistry, 2017, 60 (14), pp.6249-6272. ⟨10.1021/acs.jmedchem.7b00485⟩
Journal articles inserm-01550121v1
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Beneficial Effects of O-GlcNAc Stimulation in a Young Rat Model of Sepsis: Beyond Modulation of Gene Expression

Thomas Dupas , Antoine Persello , Angélique Blangy-Letheule , Manon Denis , Angélique Erraud et al.
International Journal of Molecular Sciences, 2022, 23 (12), pp.6430. ⟨10.3390/ijms23126430⟩
Journal articles hal-03856569v1
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Identification of a Gain-of-Function LIPC Variant as a Novel Cause of Familial Combined Hypocholesterolemia

W. Dijk , M. Di Filippo , S. Kooijman , R. Van Eenige , A. Rimbert et al.
Circulation, 2022, 146 (10), pp.724-739. ⟨10.1161/circulationaha.121.057978⟩
Journal articles inserm-03831077v1

The origin of N isotopic discrimination and its relationship with feed efficiency in fattening yearling bulls is diet-dependent

Sayyed Mahmoud Nasrollahi , Sarah Jade Meale , Diego Morgavi , Anne-Marie Schiphorst , Richard Robins et al.
PLoS ONE, 2020, 15 (6), pp.e0234344. ⟨10.1371/journal.pone.0234344⟩
Journal articles hal-02850879v1
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Stable Isotope Abundance and Fractionation in Human Diseases

Illa Tea , Arnaud de Luca , Anne-Marie Schiphorst , Mathilde Grand , Sophie C Barillé-Nion et al.
Metabolites, 2021, 11 (6), pp.370. ⟨10.3390/metabo11060370⟩
Journal articles hal-03313301v1

Molecular docking and dynamics simulation to screen interactive potency and stability of fungicide tebuconazole with thyroid and sex hormone‐binding globulin: Implications of endocrine and reproductive interruptions

Sayed Aliul Hasan Abdi , Abdulaziz Alzahrani , Mohammad Asad , Ali Alquraini , Adel Ibrahi Alghamdi et al.
Journal of Applied Toxicology, 2021, 41 (10), pp.1649-1659. ⟨10.1002/jat.4153⟩
Journal articles hal-03370935v1
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Heteroleptic copper(I)–polypyridine complexes as efficient sensitizers for dye sensitized solar cells

Martina Sandroni , Favereau Ludovic , Aurélien Planchat , Huriye Akdas-Kilig , Nadine Szuwarski et al.
Journal of Materials Chemistry A, 2014, 2 (26), pp.9944-9947. ⟨10.1039/c4ta01755b⟩
Journal articles hal-01092135v1

Investigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio tools

Arnaud Fihey , Anthony Favennec , Denis Jacquemin , Boris Le Guennic
Physical Chemistry Chemical Physics, 2016, 18 (14), pp.9358-9366. ⟨10.1039/C5CP05653E⟩
Journal articles hal-01231169v1

Photo-isomerization upshifts the pK(a) of the Photoactive Yellow Protein chromophore to contribute to photocycle propagation

Sadia Naseem , Adele D. Laurent , Elizabeth C. Carroll , Mikas Vengris , Masato Kumauchi et al.
Journal of Photochemistry and Photobiology A: Chemistry, 2013, 270, pp.43-52. ⟨10.1016/j.jphotochem.2013.06.019⟩
Journal articles hal-01389028v1

Spectral Signatures of Perylene Diimide Derivatives: Insights From Theory

Ymene Houari , Adele D. Laurent , Denis Jacquemin
Journal of Physical Chemistry C, 2013, 117 (42), pp.21682-21691. ⟨10.1021/jp407104m⟩
Journal articles hal-01389029v1

Is the Tamm-Dancoff Approximation Reliable for the Calculation of Absorption and Fluorescence Band Shapes?

Agisilaos Chantzis , Adele D. Laurent , Carlo Adamo , Denis Jacquemin
Journal of Chemical Theory and Computation, 2013, 9 (10), pp.4517-4525. ⟨10.1021/ct400597f⟩
Journal articles hal-01389030v1

Impact of tautomers on the absorption spectra of neutral and anionic alizarin and quinizarin dyes

Julien Preat , Adele D. Laurent , Catherine Michaux , Eric A. Perpete , Denis Jacquemin et al.
Journal of Molecular Structure: THEOCHEM, 2009, 901 (1-3), pp.24-30. ⟨10.1016/j.theochem.2008.12.032⟩
Journal articles hal-01389036v1

TD-DFT study of the pK(a)* for coumarins

Ymene Houari , Denis Jacquemin , Adele D. Laurent
Chemical Physics Letters, 2013, 583, pp.218-221. ⟨10.1016/j.cplett.2013.08.002⟩
Journal articles hal-01389027v1

The Influence of the pi-Conjugated Spacer on Photophysical Properties of Difluoroboranyls Derived from Amides Carrying a Donor Group

Anna Maria Grabarz , Adele D. Laurent , Beata Jedrzejewska , Anna Zakrzewska , Denis Jacquemin et al.
Journal of Organic Chemistry, 2016, 81 (6), pp.2280-2292. ⟨10.1021/acs.joc.5b02691⟩
Journal articles hal-01388998v1

Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes

Adele D. Laurent , Aymeric Blondel , Denis Jacquemin
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, 134 (6), ⟨10.1007/s00214-015-1676-9⟩
Journal articles hal-01389008v1

Exceptional Stability of Azacalixphyrin and Its Dianion

Gabriel Marchand , Adele D. Laurent , Zhongrui Chen , Olivier Siri , Denis Jacquemin et al.
Journal of Physical Chemistry A, 2014, 118 (38), pp.8883-8888. ⟨10.1021/jp507485e⟩
Journal articles hal-01389020v1

TD-DFT benchmarks: A review

Adele D. Laurent , Denis Jacquemin
International Journal of Quantum Chemistry, 2013, 113 (17), pp.2019-2039. ⟨10.1002/qua.24438⟩
Journal articles istex hal-01389026v1

Analytical model for site-specific isotope fractionation in 13C during sorption: Determination by isotopic 13C NMR spectrometry with vanillin as model compound

Patrick Höhener , Virginie Silvestre , Lefrançois Anaïs , Denis Loquet , Eliot Botosoa et al.
Chemosphere, 2012, 87, pp.445-452. ⟨10.1016/j.chemosphere.2011.12.023⟩
Journal articles hal-01505304v1

The peculiar electronic structure of AtO+ in water

Dumitru-Claudiu Sergentu , Florent Réal , Nicolas Galland , Rémi Maurice
IMAMPC 2016, Jun 2016, Le Havre, France
Conference poster in2p3-01446967v1

Molybdocene dichloride intercalation into zirconium phosphate nanoparticles

Barbara Casañas-Montes , Agustín Díaz , Cindy Barbosa , Coralis Ramos , Cindy Collazo et al.
Journal of Organometallic Chemistry, 2015, 791, pp.34 - 40. ⟨10.1016/j.jorganchem.2015.05.031⟩
Journal articles hal-01898646v1
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Oligomannose-Rich Membranes of Dying Intestinal Epithelial Cells Promote Host Colonization by Adherent-Invasive E. coli

Tetiana Dumych , Nao Yamakawa , Adeline Sivignon , Estelle Garénaux , Stefania Robakiewicz et al.
Frontiers in Microbiology, 2018, 9, ⟨10.3389/fmicb.2018.00742⟩
Journal articles hal-01796957v1
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Solvent/ligand-controlled switchable C3 or C7 C–H arylations of 1-methyl-4-nitro-1H-indazole

Khalid Boujdi , Nabil El Brahmi , Sylvain Collet , Didier Dubreuil , Monique Mathé-Allainmat et al.
Synthesis: Journal of Synthetic Organic Chemistry, 2022, ⟨10.1055/a-1891-0797⟩
Journal articles hal-03811785v1