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Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics.

Magnetic resonance in chemistry : MRC

Van Mierloo S, Liégeois V, Kudrjasova J, Botek E, Lutsen L, Champagne B, Vanderzande D, Adriaensens P, Maes W.
PMID: 22508501
Magn Reson Chem. 2012 May;50(5):379-87. doi: 10.1002/mrc.3812. Epub 2012 Apr 16.

Four 2,5-bis(5-aryl-3-hexylthiophen-2-yl)thiazolo[5,4-d]thiazole derivatives have been synthesized and thoroughly characterized. The extended aromatic core of the molecules was designed to enhance the charge transport characteristics, and solubilizing hexyl side chains were introduced on the thiophene subunits to enable possible integration...

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Van Mierloo S, Liégeois V, Kudrjasova J, et al. Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics. Magn Reson Chem. 2012;50(5):379-87doi: 10.1002/mrc.3812.
Van Mierloo, S., Liégeois, V., Kudrjasova, J., Botek, E., Lutsen, L., Champagne, B., Vanderzande, D., Adriaensens, P., & Maes, W. (2012). Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics. Magnetic resonance in chemistry : MRC, 50(5), 379-87. https://doi.org/10.1002/mrc.3812
Van Mierloo, S, et al. "Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics." Magnetic resonance in chemistry : MRC vol. 50,5 (2012): 379-87. doi: https://doi.org/10.1002/mrc.3812
Van Mierloo S, Liégeois V, Kudrjasova J, Botek E, Lutsen L, Champagne B, Vanderzande D, Adriaensens P, Maes W. Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics. Magn Reson Chem. 2012 May;50(5):379-87. doi: 10.1002/mrc.3812. Epub 2012 Apr 16. PMID: 22508501.
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The ring current model of the pentaprismane molecule.

Journal of computational chemistry

Pelloni S, Carion R, Liégeois V, Lazzeretti P.
PMID: 21370237
J Comput Chem. 2011 Jun;32(8):1599-611. doi: 10.1002/jcc.21739. Epub 2011 Mar 01.

Three-dimensional models of the quantum-mechanical current density J(B) , induced in the electron cloud of the C(10)H(10) pentaprismane molecule by a magnetic field B applied along the C(5) (a C(2)) symmetry axis, orthogonal to the pentagonal (a rectangular) face,...

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Pelloni S, Carion R, Liégeois V, et al. The ring current model of the pentaprismane molecule. J Comput Chem. 2011;32(8):1599-611doi: 10.1002/jcc.21739.
Pelloni, S., Carion, R., Liégeois, V., & Lazzeretti, P. (2011). The ring current model of the pentaprismane molecule. Journal of computational chemistry, 32(8), 1599-611. https://doi.org/10.1002/jcc.21739
Pelloni, Stefano, et al. "The ring current model of the pentaprismane molecule." Journal of computational chemistry vol. 32,8 (2011): 1599-611. doi: https://doi.org/10.1002/jcc.21739
Pelloni S, Carion R, Liégeois V, Lazzeretti P. The ring current model of the pentaprismane molecule. J Comput Chem. 2011 Jun;32(8):1599-611. doi: 10.1002/jcc.21739. Epub 2011 Mar 01. PMID: 21370237.
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Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study.

The journal of physical chemistry. A

Louant O, Champagne B, Liégeois V.
PMID: 29241012
J Phys Chem A. 2018 Feb 01;122(4):972-984. doi: 10.1021/acs.jpca.7b10881. Epub 2018 Jan 18.

Energy minima on the potential energy surfaces of the ground and excited states have been characterized for three photoactive molecules that undergo excited-state intramolecular proton transfer: 3-hydroxychromone, N-salicylideneaniline, and 2-(2-hydroxyphenyl)benzothiazole. Both the CC2 method and the TDDFT methodology with...

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Louant O, Champagne B, Liégeois V. Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study. J Phys Chem A. 2018;122(4):972-984doi: 10.1021/acs.jpca.7b10881.
Louant, O., Champagne, B., & Liégeois, V. (2018). Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study. The journal of physical chemistry. A, 122(4), 972-984. https://doi.org/10.1021/acs.jpca.7b10881
Louant, Orian, et al. "Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study." The journal of physical chemistry. A vol. 122,4 (2018): 972-984. doi: https://doi.org/10.1021/acs.jpca.7b10881
Louant O, Champagne B, Liégeois V. Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study. J Phys Chem A. 2018 Feb 01;122(4):972-984. doi: 10.1021/acs.jpca.7b10881. Epub 2018 Jan 18. PMID: 29241012.
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Detection and genetic diversity of Mopeia virus in Mastomys natalensis from different habitats in the Limpopo National Park, Mozambique.

Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases

Mapaco L, Crespin L, Rodrigues D, Gouy de Bellocq J, Bryja J, Bourgarel M, Missé D, Caron A, Fafetine J, Cappelle J, Liégeois F.
PMID: 34999003
Infect Genet Evol. 2022 Jan 05;98:105204. doi: 10.1016/j.meegid.2022.105204. Epub 2022 Jan 05.

Mammarenaviruses have been a growing concern for public health in Africa since the 1970s when Lassa virus cases in humans were first described in west Africa. In southern Africa, a single outbreak of Lujo virus was reported to date...

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Mapaco L, Crespin L, Rodrigues D, et al. Detection and genetic diversity of Mopeia virus in Mastomys natalensis from different habitats in the Limpopo National Park, Mozambique. Infect Genet Evol. 2022;98:105204doi: 10.1016/j.meegid.2022.105204.
Mapaco, L., Crespin, L., Rodrigues, D., Gouy de Bellocq, J., Bryja, J., Bourgarel, M., Missé, D., Caron, A., Fafetine, J., Cappelle, J., & Liégeois, F. (2022). Detection and genetic diversity of Mopeia virus in Mastomys natalensis from different habitats in the Limpopo National Park, Mozambique. Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases, 98105204. https://doi.org/10.1016/j.meegid.2022.105204
Mapaco, Lourenço, et al. "Detection and genetic diversity of Mopeia virus in Mastomys natalensis from different habitats in the Limpopo National Park, Mozambique." Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases vol. 98 (2022): 105204. doi: https://doi.org/10.1016/j.meegid.2022.105204
Mapaco L, Crespin L, Rodrigues D, Gouy de Bellocq J, Bryja J, Bourgarel M, Missé D, Caron A, Fafetine J, Cappelle J, Liégeois F. Detection and genetic diversity of Mopeia virus in Mastomys natalensis from different habitats in the Limpopo National Park, Mozambique. Infect Genet Evol. 2022 Jan 05;98:105204. doi: 10.1016/j.meegid.2022.105204. Epub 2022 Jan 05. PMID: 34999003.
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When makes you unique: Temporality of the human brain fingerprint.

Science advances

Van De Ville D, Farouj Y, Preti MG, Liégeois R, Amico E.
PMID: 34652937
Sci Adv. 2021 Oct 15;7(42):eabj0751. doi: 10.1126/sciadv.abj0751. Epub 2021 Oct 15.

[Figure: see text].

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Van De Ville D, Farouj Y, Preti MG, et al. When makes you unique: Temporality of the human brain fingerprint. Sci Adv. 2021;7(42):eabj0751doi: 10.1126/sciadv.abj0751.
Van De Ville, D., Farouj, Y., Preti, M. G., Liégeois, R., & Amico, E. (2021). When makes you unique: Temporality of the human brain fingerprint. Science advances, 7(42), eabj0751. https://doi.org/10.1126/sciadv.abj0751
Van De Ville, Dimitri, et al. "When makes you unique: Temporality of the human brain fingerprint." Science advances vol. 7,42 (2021): eabj0751. doi: https://doi.org/10.1126/sciadv.abj0751
Van De Ville D, Farouj Y, Preti MG, Liégeois R, Amico E. When makes you unique: Temporality of the human brain fingerprint. Sci Adv. 2021 Oct 15;7(42):eabj0751. doi: 10.1126/sciadv.abj0751. Epub 2021 Oct 15. PMID: 34652937; PMCID: PMC8519575.
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Effects of JL13, a pyridobenzoxazepine compound, in dopaminergic and glutamatergic models of antipsychotic activity.

Behavioural pharmacology

Andrade YCP, Ropke J, Viana TG, Fanelli C, Minaldi E, Batista LA, Issy AC, Del Bel EA, Rodrigues LCM, Liégeois JF, Moreira FA.
PMID: 33399294
Behav Pharmacol. 2021 Feb 01;32(1):2-8. doi: 10.1097/FBP.0000000000000595.

The pyridobenzoxazepine compound, 5-(4-methylpiperazin-1-yl)-8-chloro-pyrido[2,3-b][1,5]benzoxazepine (JL13), has been developed as a potential antipsychotic drug. We tested the hypothesis that JL13 is efficacious in both dopaminergic and glutamatergic animal models of schizophrenia. We investigated JL13 for its efficacy to prevent cocaine-...

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Andrade YCP, Ropke J, Viana TG, et al. Effects of JL13, a pyridobenzoxazepine compound, in dopaminergic and glutamatergic models of antipsychotic activity. Behav Pharmacol. 2021;32(1):2-8doi: 10.1097/FBP.0000000000000595.
Andrade, Y. C. P., Ropke, J., Viana, T. G., Fanelli, C., Minaldi, E., Batista, L. A., Issy, A. C., Del Bel, E. A., Rodrigues, L. C. M., Liégeois, J. F., & Moreira, F. A. (2021). Effects of JL13, a pyridobenzoxazepine compound, in dopaminergic and glutamatergic models of antipsychotic activity. Behavioural pharmacology, 32(1), 2-8. https://doi.org/10.1097/FBP.0000000000000595
Andrade, Yane C P, et al. "Effects of JL13, a pyridobenzoxazepine compound, in dopaminergic and glutamatergic models of antipsychotic activity." Behavioural pharmacology vol. 32,1 (2021): 2-8. doi: https://doi.org/10.1097/FBP.0000000000000595
Andrade YCP, Ropke J, Viana TG, Fanelli C, Minaldi E, Batista LA, Issy AC, Del Bel EA, Rodrigues LCM, Liégeois JF, Moreira FA. Effects of JL13, a pyridobenzoxazepine compound, in dopaminergic and glutamatergic models of antipsychotic activity. Behav Pharmacol. 2021 Feb 01;32(1):2-8. doi: 10.1097/FBP.0000000000000595. PMID: 33399294.
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Guided graph spectral embedding: Application to the .

Network neuroscience (Cambridge, Mass.)

Petrovic M, Bolton TAW, Preti MG, Liégeois R, Van De Ville D.
PMID: 31410381
Netw Neurosci. 2019 Jul 01;3(3):807-826. doi: 10.1162/netn_a_00084. eCollection 2019.

Graph spectral analysis can yield meaningful embeddings of graphs by providing insight into distributed features not directly accessible in nodal domain. Recent efforts in graph signal processing have proposed new decompositions-for example, based on wavelets and Slepians-that can be...

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Petrovic M, Bolton TAW, Preti MG, et al. Guided graph spectral embedding: Application to the . Netw Neurosci. 2019;3(3):807-826doi: 10.1162/netn_a_00084.
Petrovic, M., Bolton, T. A. W., Preti, M. G., Liégeois, R., & Van De Ville, D. (2019). Guided graph spectral embedding: Application to the . Network neuroscience (Cambridge, Mass.), 3(3), 807-826. https://doi.org/10.1162/netn_a_00084
Petrovic, Miljan, et al. "Guided graph spectral embedding: Application to the ." Network neuroscience (Cambridge, Mass.) vol. 3,3 (2019): 807-826. doi: https://doi.org/10.1162/netn_a_00084
Petrovic M, Bolton TAW, Preti MG, Liégeois R, Van De Ville D. Guided graph spectral embedding: Application to the . Netw Neurosci. 2019 Jul 01;3(3):807-826. doi: 10.1162/netn_a_00084. eCollection 2019. PMID: 31410381; PMCID: PMC6663470.
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Enhancing a CH-π Interaction to Increase the Affinity for 5-HT1A Receptors.

ACS medicinal chemistry letters

Liégeois JF, Lespagnard M, Meneses Salas E, Mangin F, Scuvée-Moreau J, Dilly S.
PMID: 24900840
ACS Med Chem Lett. 2014 Jan 29;5(4):358-62. doi: 10.1021/ml4004843. eCollection 2014 Apr 10.

An electrostatic interaction related to a favorable position of the distal phenyl ring and a phenylalanine residue in the binding pocket would explain the higher 5-HT1A affinity of a 4-phenyl-1,2,3,6-tetrahydropyridine (THP) analogue compared to the corresponding 4-phenylpiperazine analogue. To...

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Liégeois JF, Lespagnard M, Meneses Salas E, et al. Enhancing a CH-π Interaction to Increase the Affinity for 5-HT1A Receptors. ACS Med Chem Lett. 2014;5(4):358-62doi: 10.1021/ml4004843.
Liégeois, J. F., Lespagnard, M., Meneses Salas, E., Mangin, F., Scuvée-Moreau, J., & Dilly, S. (2014). Enhancing a CH-π Interaction to Increase the Affinity for 5-HT1A Receptors. ACS medicinal chemistry letters, 5(4), 358-62. https://doi.org/10.1021/ml4004843
Liégeois, Jean-François, et al. "Enhancing a CH-π Interaction to Increase the Affinity for 5-HT1A Receptors." ACS medicinal chemistry letters vol. 5,4 (2014): 358-62. doi: https://doi.org/10.1021/ml4004843
Liégeois JF, Lespagnard M, Meneses Salas E, Mangin F, Scuvée-Moreau J, Dilly S. Enhancing a CH-π Interaction to Increase the Affinity for 5-HT1A Receptors. ACS Med Chem Lett. 2014 Jan 29;5(4):358-62. doi: 10.1021/ml4004843. eCollection 2014 Apr 10. PMID: 24900840; PMCID: PMC4027751.
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New dibenzazepine derivatives with disinhibitory and/or antidepressant potential: neurochemical and behavioural study in the open-field and forced swimming tests.

Behavioural pharmacology

Bruhwyler J, Liégeois JF, Lejeune C, Rogister F, Delarge J, Géczy J.
PMID: 11224387
Behav Pharmacol. 1995 Dec;6(8):830-838.

Original bioisosteric analogues of clozapine were evaluated for potential disinhibitory and/or antidepressant effects using the open-field test in the rat and Porsolt's forced swimming test in the mouse. Attempts to relate the behavioural results to the binding affinities for...

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Bruhwyler J, Liégeois JF, Lejeune C, et al. New dibenzazepine derivatives with disinhibitory and/or antidepressant potential: neurochemical and behavioural study in the open-field and forced swimming tests. Behav Pharmacol. 1995;6(8):830-838
Bruhwyler, J., Liégeois, J. F., Lejeune, C., Rogister, F., Delarge, J., & Géczy, J. (1995). New dibenzazepine derivatives with disinhibitory and/or antidepressant potential: neurochemical and behavioural study in the open-field and forced swimming tests. Behavioural pharmacology, 6(8), 830-838.
Bruhwyler, J., et al. "New dibenzazepine derivatives with disinhibitory and/or antidepressant potential: neurochemical and behavioural study in the open-field and forced swimming tests." Behavioural pharmacology vol. 6,8 (1995): 830-838.
Bruhwyler J, Liégeois JF, Lejeune C, Rogister F, Delarge J, Géczy J. New dibenzazepine derivatives with disinhibitory and/or antidepressant potential: neurochemical and behavioural study in the open-field and forced swimming tests. Behav Pharmacol. 1995 Dec;6(8):830-838. PMID: 11224387.
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Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET).

The journal of physical chemistry. A

Adjieufack AI, Liégeois V, Ndassa Mboumbouo I, Ketcha Mbadcam J, Champagne B.
PMID: 30141934
J Phys Chem A. 2018 Sep 20;122(37):7472-7481. doi: 10.1021/acs.jpca.8b06711. Epub 2018 Sep 07.

The reaction mechanism of the [3 + 2] intramolecular cycloaddition of 3,3-dimethyl-2-(prop-2-en-1-yloxy) and (prop-2-en-1-ylsulfanyl) nitrile oxides is analyzed using different DFT functionals with the 6-311++G(d,p) basis set. The activation and the reaction energies for the cis and trans pathways...

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Adjieufack AI, Liégeois V, Ndassa Mboumbouo I, et al. Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET). J Phys Chem A. 2018;122(37):7472-7481doi: 10.1021/acs.jpca.8b06711.
Adjieufack, A. I., Liégeois, V., Ndassa Mboumbouo, I., Ketcha Mbadcam, J., & Champagne, B. (2018). Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET). The journal of physical chemistry. A, 122(37), 7472-7481. https://doi.org/10.1021/acs.jpca.8b06711
Adjieufack, Abel Idrice, et al. "Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)." The journal of physical chemistry. A vol. 122,37 (2018): 7472-7481. doi: https://doi.org/10.1021/acs.jpca.8b06711
Adjieufack AI, Liégeois V, Ndassa Mboumbouo I, Ketcha Mbadcam J, Champagne B. Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET). J Phys Chem A. 2018 Sep 20;122(37):7472-7481. doi: 10.1021/acs.jpca.8b06711. Epub 2018 Sep 07. PMID: 30141934.
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Oyster Care: An Innovative Palliative Approach towards SPMI Patients.

Frontiers in psychiatry

Decorte I, Verfaillie F, Moureau L, Meynendonckx S, Van Ballaer K, De Geest I, Liégeois A.
PMID: 32581883
Front Psychiatry. 2020 Jun 08;11:509. doi: 10.3389/fpsyt.2020.00509. eCollection 2020.

Oyster Care is the result of the search by caregivers in Flanders, Belgium, to develop quality care for patients with a Severe and Persistent Mental Illness (SPMI). This article offers a conceptual analysis of the Oyster Care model, based...

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Decorte I, Verfaillie F, Moureau L, et al. Oyster Care: An Innovative Palliative Approach towards SPMI Patients. Front Psychiatry. 2020;11:509doi: 10.3389/fpsyt.2020.00509.
Decorte, I., Verfaillie, F., Moureau, L., Meynendonckx, S., Van Ballaer, K., De Geest, I., & Liégeois, A. (2020). Oyster Care: An Innovative Palliative Approach towards SPMI Patients. Frontiers in psychiatry, 11509. https://doi.org/10.3389/fpsyt.2020.00509
Decorte, Ilse, et al. "Oyster Care: An Innovative Palliative Approach towards SPMI Patients." Frontiers in psychiatry vol. 11 (2020): 509. doi: https://doi.org/10.3389/fpsyt.2020.00509
Decorte I, Verfaillie F, Moureau L, Meynendonckx S, Van Ballaer K, De Geest I, Liégeois A. Oyster Care: An Innovative Palliative Approach towards SPMI Patients. Front Psychiatry. 2020 Jun 08;11:509. doi: 10.3389/fpsyt.2020.00509. eCollection 2020. PMID: 32581883; PMCID: PMC7294963.
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Current challenges to viral load testing in the context of emerging genetic diversity of HIV-1.

Expert opinion on medical diagnostics

Rouet F, Liégeois F, Mouinga-Ondémé A, Kania D, Viljoen J, Wambua S, Ngo-Giang-Huong N, Ménan H, Peeters M, Nerrienet E.
PMID: 23484497
Expert Opin Med Diagn. 2011 May;5(3):183-202. doi: 10.1517/17530059.2011.566860. Epub 2011 Mar 29.

INTRODUCTION: One of the major characteristics of HIV-1 is its extreme genetic diversity. A key factor in assessing the sensitivity of a molecular-based assay measuring HIV-1 RNA viral load (VL) in plasma is its ability to detect/quantify all (or...

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Rouet F, Liégeois F, Mouinga-Ondémé A, et al. Current challenges to viral load testing in the context of emerging genetic diversity of HIV-1. Expert Opin Med Diagn. 2011;5(3):183-202doi: 10.1517/17530059.2011.566860.
Rouet, F., Liégeois, F., Mouinga-Ondémé, A., Kania, D., Viljoen, J., Wambua, S., Ngo-Giang-Huong, N., Ménan, H., Peeters, M., & Nerrienet, E. (2011). Current challenges to viral load testing in the context of emerging genetic diversity of HIV-1. Expert opinion on medical diagnostics, 5(3), 183-202. https://doi.org/10.1517/17530059.2011.566860
Rouet, François, et al. "Current challenges to viral load testing in the context of emerging genetic diversity of HIV-1." Expert opinion on medical diagnostics vol. 5,3 (2011): 183-202. doi: https://doi.org/10.1517/17530059.2011.566860
Rouet F, Liégeois F, Mouinga-Ondémé A, Kania D, Viljoen J, Wambua S, Ngo-Giang-Huong N, Ménan H, Peeters M, Nerrienet E. Current challenges to viral load testing in the context of emerging genetic diversity of HIV-1. Expert Opin Med Diagn. 2011 May;5(3):183-202. doi: 10.1517/17530059.2011.566860. Epub 2011 Mar 29. PMID: 23484497.
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