Bogdan Marekha

Maître de conférences en chimie
61
Documents
Affiliations actuelles
  • École normale supérieure de Lyon (ENS de Lyon)
  • Laboratoire de Chimie - UMR5182 (LC)
Identifiants chercheurs
Contact

Présentation

Je suis maître de conférences en chimie (section 31 CNU) au Laboratoire de chimie et au Département de chimie à l'ENS de Lyon. Mes recherches actuelles portent sur la dynamique électronique et structurales de systémes complexes moléculaires en phase condensée suite à une exctitation par un laser ultrabref. Auparavant j'ai travaillé sur la structure et la dynamique de solvants moléculaires et/ou ioniques.

Expérience professionnelle

Diplômes

  • 2014 Doctorat en physico-chimie, Université de Lille (Villeneuve d'Ascq, FR)
  • 2011 Master en chimie (spécialisation - chimie computationnelle), Université nationale Karazine de Kharkiv (Kharkiv, UA)

Domaines de recherche

Chimie théorique et/ou physique Chimie-Physique [physics.chem-ph] Matière Molle [cond-mat.soft] Optique / photonique

Compétences

atomistic simulations quantum chemistry calculations NMR spectroscopy vibrational spectroscopy femtosecond spectroscopy

Publications

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Publications

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Structure et dynamique microscopiques dans les mélanges de liquides ioniques à base d’imidazolium et de solvants polaires aprotiques : RMN, spectroscopie Raman et modélisation moléculaire

Bogdan Marekha
Chimie théorique et/ou physique. Université Lille1 - Sciences et Technologies; Harkívsʹkij nacíonalʹnij uníversitet ímení V. N. Karazína, 2014. Français. ⟨NNT : ⟩
Thèse tel-01581868 v1
Image document

Detection of a Jahn-Teller mode as an ultrafast fingerprint of spin-transition-induced charge transfer in CoFe Prussian Blue Analogue

Marius Hervé , Bogdan Marekha , Sandra Mazérat , Talal Mallah , Marco Cammarata et al.
Materials Advances, 2024, ⟨10.1039/d3ma01072d⟩
Article dans une revue hal-04532697 v1
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Influence of pump laser fluence on ultrafast myoglobin structural dynamics

Thomas Barends , Alexander Gorel , Swarnendu Bhattacharyya , Giorgio Schirò , Camila Bacellar et al.
Nature, 2024, 626 (8000), pp.905-911. ⟨10.1038/s41586-024-07032-9⟩
Article dans une revue hal-04510729 v1
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Dynamic anti-correlations of water hydrogen bonds

Lucas Gunkel , Amelie A Ehrhard , Carola S Krevert , Bogdan A Marekha , Mischa Bonn et al.
Nature Communications, 2024, 15 (1), pp.10453. ⟨10.1038/s41467-024-54804-y⟩
Article dans une revue hal-04832118 v1
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Towards panchromatic Fe( ii ) NHC sensitizers via HOMO inversion

Anil Reddy Marri , Bogdan Marekha , Thomas Penfold , Stefan Haacke , Philippe Gros
Inorganic Chemistry Frontiers, 2023, 10, pp.118-126. ⟨10.1039/D2QI01903E⟩
Article dans une revue hal-03856124 v1

Dynamic catcher for stabilization of high-viscosity extrusion jets

R. Bruce Doak , Robert L Shoeman , Alexander Gorel , Thomas R M Barends , Bogdan Marekha et al.
Journal of Applied Crystallography, 2023, 56 (3), pp.903-907. ⟨10.1107/s1600576723003795⟩
Article dans une revue hal-04167511 v1

Effects of self-hydrogen bonding among formamide molecules on the UCST-type liquid–liquid phase separation of binary solutions with imidazolium-based ionic liquid, [C n mim][TFSI], studied by NMR, IR, MD simulations, and SANS

Masahiro Kawano , Atsuya Tashiro , Yuki Imamura , Moeno Yamada , Koichiro Sadakane et al.
Physical Chemistry Chemical Physics, 2022, 24 (22), pp.13698-13712. ⟨10.1039/D2CP01006B⟩
Article dans une revue hal-04045553 v1

A single methyl group drastically changes urea’s hydration dynamics

Bogdan Marekha , Johannes Hunger
The Journal of Chemical Physics, 2022, 156 (16), pp.164504. ⟨10.1063/5.0085461⟩
Article dans une revue hal-04045568 v1

Assessment of the UCST-type liquid–liquid phase separation mechanism of imidazolium-based ionic liquid, [C 8 mim][TFSI], and 1,4-dioxane by SANS, NMR, IR, and MD simulations

Masahiro Kawano , Koichiro Sadakane , Hiroki Iwase , Masaru Matsugami , Bogdan Marekha et al.
Physical Chemistry Chemical Physics, 2021, 23 (42), pp.24449-24463. ⟨10.1039/D1CP01940F⟩
Article dans une revue hal-04045582 v1
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Towards Iron(II) Complexes with Octahedral Geometry

Mohamed Darari , Antonio Francés-Monerris , Bogdan Marekha , Abdelatif Doudouh , Emmanuel Wenger et al.
Molecules, 2020, 25 (24), pp.5991. ⟨10.3390/molecules25245991⟩
Article dans une revue hal-03081500 v1

Mixing states of imidazolium-based ionic liquid, [C <sub>4</sub> mim][TFSI], with cycloethers studied by SANS, IR, and NMR experiments and MD simulations

Masahiro Kawano , Koichiro Sadakane , Hiroki Iwase , Masaru Matsugami , Bogdan Marekha et al.
Physical Chemistry Chemical Physics, 2020, 22, pp.5332-5346. ⟨10.1039/C9CP05258E⟩
Article dans une revue hal-04351527 v1
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Composition-Dependent Hydrogen-Bonding Motifs and Dynamics in Brønsted Acid–Base Mixtures

Christian Malm , Leon A Prädel , Bogdan A Marekha , Maksim Grechko , Johannes Hunger
Journal of Physical Chemistry B, 2020, 124 (33), pp.7229-7238. ⟨10.1021/acs.jpcb.0c04714⟩
Article dans une revue hal-04045598 v1

Binding mode of Pyridoclax to Myeloid cell leukemia-1 (Mcl-1) revealed by Nuclear Magnetic Resonance Spectroscopy, Docking and Molecular Dynamics Approaches

Asma Bourafai Aziez , Muriel Sebban , M. Benabderrahmane , B. Marekha , C. Denis et al.
Journal of Biomolecular Structure and Dynamics, 2019, (in press). ⟨10.1080/07391102.2019.1680434⟩
Article dans une revue hal-02330946 v1

Hydrophobic pattern of alkylated ureas markedly affects water rotation and hydrogen bond dynamics in aqueous solution

Bogdan Marekha , Johannes Hunger
Physical Chemistry Chemical Physics, 2019, 21 (37), pp.20672-20677. ⟨10.1039/C9CP04108G⟩
Article dans une revue hal-04045604 v1

Specific Ion Effects on an Oligopeptide: Bidentate Binding Matters for the Guanidinium Cation

Vasileios Balos , Bogdan Marekha , Christian Malm , Manfred Wagner , Yuki Nagata et al.
Angewandte Chemie International Edition, 2019, 58 (1), pp.332-337. ⟨10.1002/anie.201811029⟩
Article dans une revue hal-04045612 v1

Hydrogen‐Bond Structure and Dynamics of TADDOL Asymmetric Organocatalysts Correlate with Catalytic Activity

Seoncheol Cha , Bogdan Marekha , Manfred Wagner , Johannes Hunger
Chemistry - A European Journal, 2019, 25 (42), pp.9984-9990. ⟨10.1002/chem.201901594⟩
Article dans une revue hal-04045603 v1
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Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode

Siham Hedir , Marcella de Giorgi , Jade Fogha , Martina de Pascale , Louis-Bastien Weiswald et al.
European Journal of Medicinal Chemistry, 2018, 159, pp.357-380. ⟨10.1016/j.ejmech.2018.10.003⟩
Article dans une revue inserm-01980723 v1

Hydrogen bonds of the imidazolium rings of ionic liquids with DMSO studied by NMR, soft X-ray spectroscopy, and SANS

Toshiyuki Takamuku , Takumi Tokuda , Takahiro Uchida , Kazuya Sonoda , Bogdan Marekha et al.
Physical Chemistry Chemical Physics, 2018, 20, pp.12858-12869. ⟨10.1039/C8CP00963E⟩
Article dans une revue hal-04351398 v1

The local structure in the BmimPF <sub>6</sub> /acetonitrile mixture: the charge distribution effect

Volodymyr Koverga , Oleg Kalugin , François-Alexandre Miannay , Yevheniia Smortsova , Kateryna Goloviznina et al.
Physical Chemistry Chemical Physics, 2018, 20 (34), p.21890-21902. ⟨10.1039/C8CP03546F⟩
Article dans une revue hal-04351351 v1

A new potential model for acetonitrile: Insight into the local structure organization

Volodymyr A. Koverga , Oleksandr M. Korsun , Oleg N. Kalugin , Bogdan A. Marekha , Abdenacer Idrissi
Journal of Molecular Liquids, 2017, 233, pp.251 - 261. ⟨10.1016/j.molliq.2017.03.025⟩
Article dans une revue hal-01508387 v1

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

Abdenacer Idrissi , Bogdan A. Marekha , Mohammed Barj , François Alexandre Miannay , Toshiyuki Takamuku et al.
The Journal of Chemical Physics, 2017, 146, pp.234507. ⟨10.1063/1.4985630⟩
Article dans une revue hal-01579788 v1

Competition between cation–solvent and cation–anion interactions in imidazolium ionic liquids with polar aprotic solvents

Bogdan A. Marekha , Oleg N. Kalugin , Marc Bria , Toshiyuki Takamuku , Slobodan Gadžurić et al.
ChemPhysChem, 2017, 18 (7), pp.718 - 721. ⟨10.1002/cphc.201601445⟩
Article dans une revue hal-01509573 v1

ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C<sub>n</sub>mimTFSA (<i>n</i> = 2–12) with DMSO

Bogdan A. Marekha , Kazuya Sonoda , Takahiro Uchida , Takumi Tokuda , Abdenacer Idrissi et al.
Journal of Molecular Liquids, 2017, 232, pp.431 - 439. ⟨10.1016/j.molliq.2017.02.068⟩
Article dans une revue hal-01508391 v1

ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C n mimTFSA ( n = 2–12) with DMSO

Bogdan Marekha , Kazuya Sonoda , Takahiro Uchida , Takumi Tokuda , Abdenacer Idrissi et al.
Journal of Molecular Liquids, 2017, 232, pp.431 - 439. ⟨10.1016/j.molliq.2017.02.068⟩
Article dans une revue hal-01737055 v1

Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode

Jade Fogha , Bogdan Marekha , Marcella de Giorgi , Anne-Sophie Voisin-Chiret , Sylvain Rault et al.
Journal of Chemical Information and Modeling, 2017, 57 (11), pp.2885-2895. ⟨10.1021/acs.jcim.7b00396⟩
Article dans une revue hal-02043710 v1

Solvation dynamics and rotation of coumarin 153 in a new ionic liquid/molecular solvent mixture model: [BMIM][TFSI]/propylene carbonate

Y. Smortsova , F.A. Miannay , H. Oher , B. Marekha , J. Dubois et al.
Journal of Molecular Liquids, 2017, 226, pp.48 - 55. ⟨10.1016/j.molliq.2016.10.008⟩
Article dans une revue hal-01459096 v1
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Local lateral environment of the molecules at the surface of DMSO-water mixtures

B. Fabian , A. Idrissi , B. Marekha , P. Jedlovszky
Journal of Physics: Condensed Matter, 2016, 28, pp.404002-1 - 404002-10. ⟨10.1088/0953-8984/28/40/404002⟩
Article dans une revue hal-01383835 v1

Local structure in terms of nearest-neighbor approach in 1-Butyl-3-methylimidazolium-Based ionic liquids: MD simulations

B. Marekha , V.A. Koverga , E. Chesneau , O. Kalugin , T. Takamuku et al.
Journal of Physical Chemistry B, 2016, 120, pp.5029 - 5041. ⟨10.1021/acs.jpcb.6b04066⟩
Article dans une revue hal-01348709 v1
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The local environment of the molecules in water-DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis

A. Idrissi , B. Marekha , M. Kiselev , P. Jedlovszky
Physical Chemistry Chemical Physics, 2015, 17 (5), pp.3470 - 3481. ⟨10.1039/c4cp04839c⟩
Article dans une revue hal-01135852 v1

Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis

B. Marekha , O.N. Kalugin , A. Idrissi
Physical Chemistry Chemical Physics, 2015, 17, pp.16846 - 16857. ⟨10.1039/C5CP02197A⟩
Article dans une revue hal-01174698 v1

Luteolin organic solvent interactions. A molecular dynamics simulation analysis

K. Smail , N. Tchouar , M. Barj , B. Marekha , A. Idrissi
Journal of Molecular Liquids, 2015, 212, pp.503 - 508. ⟨10.1016/j.molliq.2015.09.043⟩
Article dans une revue hal-01244300 v1

Intermolecular interactions in mixtures of 1-<i>n</i>-butyl-3-methylimidazolium acetate and water: Insights from IR, Raman, NMR spectroscopy and quantum chemistry calculations

B. Marekha , M. Bria , M. Moreau , I. de Waele , F.A. Miannay et al.
Journal of Molecular Liquids, 2015, 210, pp.227 - 237. ⟨10.1016/j.molliq.2015.05.015⟩
Article dans une revue hal-01195975 v1

Intermolecular interactions, ion solvation, and association in mixtures of 1-<i>n</i>-butyl-3-methylimidazolium hexafluorophosphate and γ-butyrolactone: Insights from Raman spectroscopy

B. Marekha , V.A. Koverga , M. Moreau , M. Kiselev , T. Takamuku et al.
Journal of Raman Spectroscopy, 2015, 46, pp.339 - 352. ⟨10.1002/jrs.4640⟩
Article dans une revue istex hal-01135915 v1

Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative <sup>1</sup>H and <sup>13</sup>C NMR chemical shifts

B. Marekha , O.N. Kalugin , M. Bria , A. Idrissi
Physical Chemistry Chemical Physics, 2015, 17, pp.23183 - 23194. ⟨10.1039/c5cp02748a⟩
Article dans une revue hal-01195959 v1

Inhomogeneous distribution in methanol/acetone mixture: vibrational and NMR spectroscopy analysis

A. Idrissi , K. Polok , B. Marekha , I. de Waele , M. Bria et al.
Journal of Physical Chemistry B, 2014, 118, pp.1416-1425. ⟨10.1021/jp412023g⟩
Article dans une revue hal-01064908 v1

Translational diffusion in mixtures of imidazolium ILs with polar aprotic molecular solvents

B. Marekha , O.N. Kalugin , M. Bria , R. Buchner , A. Idrissi
Journal of Physical Chemistry B, 2014, 118, pp.5509 - 5517. ⟨10.1021/jp501561s⟩
Article dans une revue hal-01112376 v1

Microscopic interactions of the imidazolium-based ionic liquid with molecular liquids depending on their electron-donicity

T. Takamuku , H. Hoke , A. Idrissi , B. Marekha , M. Moreau et al.
Physical Chemistry Chemical Physics, 2014, 16, pp.23627 - 23638. ⟨10.1039/C4CP03565H⟩
Article dans une revue hal-01112393 v1
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Thermodynamics of mixing water with dimethyl sulfoxide, as seen from computer simulations

A. Idrissi , B. Marekha , M. Barj , P. Jedlovszky
Journal of Physical Chemistry B, 2014, 118, pp.8724-8733. ⟨10.1021/jp503352f⟩
Article dans une revue hal-01063507 v1

Free energy of mixing of acetone and methanol: A computer simulation investigation

A. Idrissi , K. Polok , M. Barj , B. Marekha , M. Kiselev et al.
Journal of Physical Chemistry B, 2013, 117, pp.16157-16164. ⟨10.1021/jp405090j⟩
Article dans une revue hal-00940891 v1

Heterogeneous Wide Range pH-sensing Materials Allowing Ratiometric Fluorescence Detection Based on Structurally Rigid Analogs of 2,6-distyrylpyridine

Oleksiy Grygorovych , Sofia Moskalenko , Bogdan Marekha , Andrey Doroshenko
Journal of Fluorescence, 2010, 20 (1), pp.115-124. ⟨10.1007/s10895-009-0529-0⟩
Article dans une revue istex hal-04045620 v1

Change in the excited state dynamics of Archae-Rhodopsin-3 via site specific mutations

Krystyna Herasymenko , Arnaud Marquette , Bogdan Marekha , Masae Konno-Inoue , Keichi Inoue et al.
Advances in Ultrafast Condensed Phase Physics IV, SPIE Photonics Europe, Apr 2024, Strasbourg, France. pp.18, ⟨10.1117/12.3016967⟩
Communication dans un congrès hal-04844303 v1

Ultrafast Excited State Dynamics of The Archae-Rhodopsin 3 And Its Mutants

Krystyna Herasymenko , Bogdan Marekha , Masae Konno-Inoue , Keichi Inoue , Stefan Haacke
International Conference on Photochemistry 2023, Jul 2023, Sapporo (Japon), Japan
Communication dans un congrès hal-04844310 v1

Ultrafast excited state dynamics of archae-rhodopsin 3 and its mutants

Krystyna Herasymenko , Masae Konno-Inoue , Isabelle de Waele , Bogdan Marekha , Michel Sliwa et al.
20th Congress of the European Society for Photobiology, Aug 2023, Lyon, France
Communication dans un congrès hal-04845455 v1

Ultrafast Excited State Dynamics of The Archae-Rhodopsin 3 And Its Mutants

Krystyna Herasymenko , Bogdan Marekha , Masae Konno-Inoue , Keichi Inoue , Stefan Haacke
French, Swiss and German Conference on Photochemistry, Photophysics and Photosciences, May 2023, Mulhouse, France
Communication dans un congrès hal-04844292 v1

Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents

Oleg Kalugin , Anastasiia Riabchunova , Iuliia Voroshylova , Vitaly Chaban , Bogdan Marekha et al.
Modern Problems of Molecular Physics. Springer Proceedings in Physics, May 2016, Kyiv, Ukraine. pp.67-109, ⟨10.1007/978-3-319-61109-9_5⟩
Communication dans un congrès hal-04045618 v1

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

A. Idrissi , B. Marekha , M. Barj , F.A. Miannay , P. Jedlovszky
7th Visgrad Symposium on Structural Systems Biology, Jun 2017, Nové Hrady, Czech Republic
Communication dans un congrès hal-01592060 v1

Probing Structural patterns of ion association and solvation dynamics of imidazolium ionic liquids with acetonitrile, propylene carbonate and gamma-Butyrolactone: A molecular dynamics analysis

V. Koverga , Y. Smortsova , F.A. Miannay , B. Marekha , O. Kalugin et al.
EMLG - JMLG annual meeting 2017, Sep 2017, Vienne, Austria
Communication dans un congrès hal-01592062 v1

Microscopic structure and dynamics in mixtures of imidazolium-based ionic liquids with polar aprotic solvents: Vibration spectroscopy , NMR and molecular modeling

B. Marekha , O.N. Kalugin , A. Idrissi
Molecular Liquids Meet Ionic Liquids from Fundamentals to Applications , Sep 2015, Rostock, Germany
Communication dans un congrès hal-01267291 v1

Translational and rotational dynamics of imidazolium bazed ionic liquids in acetonitrile

O.N. Kalugin , V.A. Koverga , B. Marekha , A. Idrissi , S. Adya
Molecular Liquids Meet Ionic Liquids from Fundamentals to Applications, Sep 2015, Rostock, Germany
Communication dans un congrès hal-01267301 v1

Luteolin-organic solvent interactions: A molecular dynamics simulation analysis

K. Smail , N. Tchouar , B. Marekha , A. Seitsonen , M. Barj et al.
5th Visegrad Symposium Structural Systems Biology, Jun 2015, Szeged, Hungary
Communication dans un congrès hal-01187154 v1

Mixing states of imidazolium-based ionic liquid in dimethyl sulfoxide, methanol, and acetonitrile studied with NMR, Raman, and ATR-IR techniques

T. Takamuku , H. Koke , A. Idrissi , B. Marekha , M. Moreau et al.
EMLG - JMLG annual meeting 2014, Sep 2014, Rome, Italy
Communication dans un congrès hal-01137333 v1

Dynamics, solvation and interionic interactions in mixtures of room temperature ionic liquid and molecular solvent: a multi technique approach

B. Marekha , O. Kalugin , A. Idrissi , M. Bria
33rd International Conference on Solution Chemistry, Jul 2013, Kyoto, Japan
Communication dans un congrès hal-00946533 v1

Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents

O. Kalugin , B. Marekha , I. Voroshylova , V. Chaban , A. Ryabchunova et al.
EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Sep 2013, Lille, France
Communication dans un congrès hal-00946595 v1

Competition between solvation and ionic association in mixtures of ionic liquid and polar molecular solvents

B. Marekha , O. Kalugin , A. Idrissi , M. Bria
EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Sep 2013, Lille, France
Communication dans un congrès hal-00946601 v1

Editorial of special issue ELMG/JMLG 2013

A. Idrissi , B. Marekha , M.A. Ricci
EMLG - JMLG annual meeting 2013 - Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation, Sep 2013, Lille, France. 205, pp.1, 2015, ⟨10.1016/j.molliq.2015.03.049⟩
Proceedings/Recueil des communications hal-01168622 v1