Chemistry Department

  • 5000

    Belgium

Research Output

2018

Playing with Isomerism: Cocrystallization of Isomeric N-Salicylideneaminopyridines with Perfluorinated Compounds as Halogen Bond Donors and Its Impact on Photochromism

Carletta, A., Zbačnik, M., Van Gysel, M., Vitković, M., Tumanov, N., Stilinović, V., Wouters, J. & Cinčić, D., 7 Nov 2018, In : Crystal Growth and Design. 18, 11, p. 6833–6842 10 p.

Research output: Contribution to journalArticle

Porous and responsive hydrogels for cell therapy

Wang, L., Neumann, M., Fu, T., Li, W., Cheng, X. & Su, B. L., 1 Nov 2018, In : Current Opinion in Colloid and Interface Science. 38, p. 135-157 23 p.

Research output: Contribution to journalReview article

Properties of Omp2a-Based Supported Lipid Bilayers: Comparison with Polymeric Bioinspired Membranes

Puiggalí-Jou, A., Pawlowski, J., del Valle, L. J., Michaux, C., Perpète, E., Sek, S. & Alemán, C., 31 Aug 2018, In : ACS Omega. 3, 8, p. 9003-9019 17 p.

Research output: Contribution to journalArticle

Open Access
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Open Access
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Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties: From Small to Extended π-Conjugated Molecules

Champagne, B., Beaujean, P., De Wergifosse, M., Hidalgo Cardenuto, M., Liégeois, V. & Castet, F., 2018, Frontiers of Quantum Chemistry. Wojcik, M., Nakatsuji, H., Kirtman, B. & Ozaki, Y. (eds.). Singapore: Springer, p. 117-138 21 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter (peer-reviewed)

Second-order nonlinear optical properties of Stenhouse photoswitches: Insights from density functional theory

Tonnelé, C., Champagne, B., Muccioli, L. & Castet, F., 1 Jan 2018, In : Physical Chemistry Chemical Physics. 20, 43, p. 27658-27667 10 p.

Research output: Contribution to journalArticle

Selenium clusters in Zn-glutamate MOF derived nitrogen-doped hierarchically radial-structured microporous carbon for advanced rechargeable Na-Se batteries

Dong, W., Chen, H., Xia, F., Yu, W., Song, J., Wu, S., Deng, Z., Hu, Z. Y., Hasan, T., Li, Y., Wang, H., Chen, L. & Su, B. L., 1 Jan 2018, In : Journal of Materials Chemistry A. 6, 45, p. 22790-22797 8 p.

Research output: Contribution to journalArticle

Synthesis and Characterisation of Fe-MW Carbon Nanotubes – Nanocrystalline NaY Zeolite

Belkhiri, S., Bhakta, A. K., Khimeche, K., Mekhalif, Z. & Delhalle, J., 12 Apr 2018, Synthesis and Characterisation of Fe-MW Carbon Nanotubes – Nanocrystalline NaY Zeolite. Budapest, Hungary: World Congress on Recent Advances in Nanotechnology (RAN'18), 10.11159/icnnfc18.142

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Open Access
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Synthesis of exo-glycals and their biochemical applications

Frédéric, C. J. M. & Vincent, S. P., 8 Nov 2018, In : Tetrahedron. 74, 45, p. 6512-6519 8 p.

Research output: Contribution to journalArticle

Templated Chromophore Assembly on Peptide Scaffolds: A Structural Evolution

Rocard, L., Wragg, D., Jobbins, S. A., Luciani, L., Wouters, J., Leoni, S. & Bonifazi, D., 26 Oct 2018, In : Chemistry - A European Journal. 24, 60, p. 16136-16148 13 p.

Research output: Contribution to journalArticle

The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQxff Low Bandgap Polymers

Pirotte, G., Kesters, J., Cardeynaels, T., Verstappen, P., Lutsen, L., Champagne, B., Vanderzande, D. & Maes, W., 1 Jul 2018, In : Macromol Rapid Communications. 39, 14, 1800086.

Research output: Contribution to journalArticle

Thermomechanical Response of a Representative Porin for Biomimetics

Lopes Rodrigues, M., Puiggalí-Jou, A., Marti-Balleste, D., del Valle, L. J., Michaux, C., Perpète, E. & Alemán, C., 31 Jul 2018, In : ACS Omega. 3, 7, p. 7856-7867 12 p.

Research output: Contribution to journalArticle

Open Access
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The Use of Switchable Polarity Solvents for the Synthesis of 16‐Arylidene Steroids via Claisen–Schmidt Condensation

Ispán, D., Szánti-Pintér, E., Papp, M., Wouters, J., Tumanov, N., Balázs Zsirka, B., Gömöry, Á., Kollár, L. & Skoda-Földes, R., 29 Jun 2018, In : European Journal of Organic Chemistry. 2018, 24, p. 3236-3244 9 p.

Research output: Contribution to journalArticle

Open Access

Tungsten–modified HMS catalysts for high selective oxidation of styrene with aqueous hydrogen peroxide

Parvulescu, V., Ciobanu, M., Petcu, G., Anghel, E. M. & Su, B. L., 1 Jan 2018, In : Revue Roumaine de Chimie . 63, 9, p. 847-853 7 p.

Research output: Contribution to journalArticle

Two-Step Nanoscale Approach for Well-Defined Complex Alkanethiol Films on Au Surfaces

Neupane, S., Losada-Perez, P., Vivegnis, S., Mekhalif, Z., Delhalle, J., Bashir, A. & Renner, F., 9 Jan 2018, In : Langmuir. 34, 1, p. 66-72 7 p.

Research output: Contribution to journalArticle

Understanding structure and dynamics of small peptides and proteins through the lens of network science

Fossepre, M., Leherte, L., Laaksonen, A. & Vercauteren, D., 2018, Methods and Principles in Medicinal Chemistry series : Biomolecular Simulations in Structure-based Drug Discovery. Gervasio, F. L., Spiwok, V., Mannhold, R., Buschmann, H. & Holenz, J. (eds.). Wiley-VCH

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Π-Π-Π stacking for capturing-releasing Au clusters in meso-structured system

Geng, W., Hu, J., Hu, Z. Y., Wang, L., Zhao, T., Yang, X. Y., Qiu, Z. M. & Su, B. L., 16 Nov 2018, In : Chemical Physics Letters. 712, p. 134-138 5 p.

Research output: Contribution to journalArticle

2017

[6]-[9]Metacyclophanes: Synthesis, Crystal Structures, and NMR and UV Spectroscopy

Shuvalov, V. Y., Eltsov, I. V., Tumanov, N. A., Boldyreva, E. V., Nefedov, A. A. & Sagitullina, G. P., 2 Oct 2017, In : European Journal of Organic Chemistry. 2017, 36, p. 5410-5416 7 p.

Research output: Contribution to journalArticle

3D-printed jars for ball-milling experiments monitored in situ by X-ray powder diffraction

Tumanov, N., Ban, V., Poulain, A. & Filinchuk, Y., 14 Jun 2017, In : Journal of Applied Crystallography. 50, p. 994-999 6 p.

Research output: Contribution to journalArticle

Open Access

A harmine-derived beta-carboline displays anti-cancer effects in vitro by targeting protein synthesis

Carvalho, A., Chu, J., Meinguet, C., Kiss, R., Vandenbussche, G., Masereel, B., Wouters, J., Kornienko, A., Pelletier, J. & Mathieu, V., 15 Jun 2017, In : European Journal of Pharmacology. 805, p. 25-35 11 p.

Research output: Contribution to journalArticle

Anchoring ultrafine metallic and oxidized Pt nanoclusters on yolk-shell TiO2 for unprecedentedly high photocatalytic hydrogen production

Jin, J., Wang, C., Ren, X. N., Huang, S. Z., Wu, M., Chen, L. H., Hasan, T., Wang, B. J., Li, Y. & Su, B. L., 1 Aug 2017, In : Nano Energy. 38, p. 118-126 9 p.

Research output: Contribution to journalArticle

A polystyrene/WO3 opal composite monolayer film as a building block for the fabrication of 3D WO3 inverse opal films

Li, H., Wang, J. F., Vienneau, G., Zhu, G. B., Wang, X. G., Robichaud, J., Su, B. L. & Djaoued, Y., 2017, In : RSC Advances. 7, 73, p. 46406-46413 8 p.

Research output: Contribution to journalArticle

Open Access
Open Access

A structural analysis of spiropyran and spirooxazine compounds and their polymorphs

Seiler, V. K., Tumanov, N., Robeyns, K., Wouters, J., Champagne, B. & Leyssens, T., 13 Mar 2017, In : Crystals. 7, 3, 84.

Research output: Contribution to journalArticle

Open Access

A Study of Fasoracetam's Solid State Forms: A Potential Anti-Alzheimer Pharmaceutical

Harmsen, B., Robeyns, K., Wouters, J. & Leyssens, T., 1 May 2017, In : Journal of Pharmaceutical Sciences. 106, 5, p. 1317-1321 5 p.

Research output: Contribution to journalArticle

A theoretical study on quasi-one-dimensional open-shell singlet ladder oligomers: multi-radical nature, aromaticity and second hyperpolarizability

Fukuda, K., Fujiyoshi, J. Y., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y., Champagne, B. & Nakano, M., 1 May 2017, In : Organic Chemistry Frontiers. 4, 5, p. 779-789 11 p.

Research output: Contribution to journalArticle

Bio-inspired Murray materials for mass transfer and activity

Zheng, X., Shen, G., Wang, C., Li, Y., Dunphy, D., Hasan, T., Brinker, C. J. & Su, B. L., 6 Apr 2017, In : Nature Communications. 8, 14921.

Research output: Contribution to journalArticle

Open Access
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BiVO4/3DOM TiO2 nanocomposites: Effect of BiVO4 as highly efficient visible light sensitizer for highly improved visible light photocatalytic activity in the degradation of dye pollutants

Zalfani, M., Hu, Z. Y., Yu, W. B., Mahdouani, M., Bourguiga, R., Wu, M., Li, Y., Van Tendeloo, G., Djaoued, Y. & Su, B. L., 15 May 2017, In : Applied Catalysis B: Environmental. 205, p. 121-132 12 p.

Research output: Contribution to journalArticle

Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials

Rauhalahti, M., Taubert, S., Sundholm, D. & Liégeois, V., 2017, In : Physical Chemistry Chemical Physics. 19, 10, p. 7124-7131 8 p.

Research output: Contribution to journalArticle

Cocrystallization out of the blue: DL-mandelic acid/ethyl-DL-mandelate cocrystal

Tumanova, N., Payen, R., Springuel, G., Norberg, B., Robeyns, K., Le Duff, C., Wouters, J. & Leyssens, T., 5 Jan 2017, In : Journal of molecular structure. 1127, p. 397-402 6 p.

Research output: Contribution to journalArticle

Correction: Supported C60-IL-PdNPs as extremely active nanocatalysts for C-C cross-coupling reactions (J. Mater. Chem. A (2016) 4 (17193–17206) DOI: 10.1039/C6TA07599A)

Giacalone, F., Campisciano, V., Calabrese, C., La Parola, V., Liotta, L. F., Aprile, C. & Gruttadauria, M., 1 Jan 2017, In : Journal of Materials Chemistry A. 5, 15, 1 p.

Research output: Contribution to journalComment/debate

Open Access

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups

Tetsassi Feugmo, C. G., Liégeois, V. & Champagne, B., 9 Nov 2017, In : Physical Chemistry Chemical Physics. 19, 44, p. 29822 - 29832 11 p.

Research output: Contribution to journalArticle

Decoration of tricarboxylic and monocarboxylic aryl diazonium functionalized multi-wall carbon nanotubes with iron nanoparticles

Bhakta, A. K., Detriche, S., Martis, P., Mascarenhas, R. J., Delhalle, J. & Mekhalif, Z., 26 Apr 2017, In : Journal of Materials Science. 52, 16, p. 9648-9660 13 p.

Research output: Contribution to journalArticle

24 Downloads (Pure)

Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems

Nakano, M., Fukuda, K., Ito, S., Matsui, H., Nagami, T., Takamuku, S., Kitagawa, Y. & Champagne, B., 2017, In : Journal of physical chemistry A. 121, 4, p. 861-873 13 p.

Research output: Contribution to journalArticle

Efficacy of a Novel Contact Pathway Inhibitor, Ir-CPI, on in vitro Clotting Induced by PCI Catheter Segment

Douxfils, J., Gheldof, D., Derochette, S., Tassignon, J., Meinguet, C., Guyaux, M., Dogne, J-M. & Godfroid, E., 2017, p. 1044-1045. 2 p.

Research output: Contribution to conferencePoster

Open Access
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Efficacy of a Novel Contact Pathway Inhibitor, Ir-CPI, on in vitro Clotting Induced by PCI Catheter Segment

Douxfils, J., Gheldof, D., Derochette, S., Tassignon, J., Meinguet, C., Guyaux, M., Dogne, J-M. & Godfroid, E., 2017, Research and practice in thrombosis and haemostasis: Abstracts of the XXVI Congress of the International Society on Thrombosis and Haemostasis, July 8–13, 2017. Vol. 1. p. 1044-1045 2 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Open Access
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Electronic Band Structure of Helical Polyisocyanides

Fripiat, J. G., Champagne, B., Liégeois, V. & Harris, F. E., 19 Oct 2017, In : Journal of physical chemistry A. 121, 41, p. 7993-8002 10 p., DOI: 10.1021/acs.jpca.7b07403.

Research output: Contribution to journalArticle

Emergence of nonlinear optical activity by incorporation of a linker carrying the p-nitroaniline motif in MIL-53 frameworks

Markey, K., Krüger, M., Seidler, T., Reinsch, H., Verbiest, T., De Vos, D., Champagne, B., Stock, N. & Van Der Veen, M. A., 16 Nov 2017, In : Journal of Physical Chemistry C. 121, 45, p. 25509-25519 11 p.

Research output: Contribution to journalArticle

Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers

Lavendomme, R., Ajami, D., Moerkerke, S., Wouters, J., Rissanen, K., Luhmer, M. & Jabin, I., 2017, In : Chemical Communications. 53, 48, p. 6468-6471 4 p.

Research output: Contribution to journalArticle