Chemistry Department &ndash; Research Output

2019

3D Graphene-based macro-mesoporous frameworks as enzymatic electrodes

Shen, L., Ying, J., Ren, L., Yao, Y., Lu, Y., Dong, Y., Tian, G., Yang, X. Y. & Su, B. L., 1 Jul 2019, In : Journal of Physics and Chemistry of Solids. 130, p. 1-5 5 p.

Research output: Contribution to journal › Article

Graphite

Graphene

Macros

graphene

Electrodes

Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative

PIELAK, K., Bondu, F., Sanguinet, L., Rodriguez, V., Castet, F. & Champagne, B., 1 Jan 2019, In : Dyes and pigments. 160, p. 641-646 6 p.

Research output: Contribution to journal › Article

Optical properties

Derivatives

Rayleigh scattering

Excited states

Charge transfer

Acid-responsive H ₂ -releasing Fe nanoparticles for safe and effective cancer therapy

Kou, Z., Zhao, P., Wang, Z., Jin, Z., Chen, L., Su, B. L. & He, Q., 1 Jan 2019, In : Journal Of Materials Chemistry B. 7, 17, p. 2759-2765 7 p.

Research output: Contribution to journal › Article

Carboxymethylcellulose Sodium

Hydrogen

Tumors

Nanoparticles

Cellulose

All-polymer solar cells based on photostable bis(perylene diimide) acceptor polymers

Lenaerts, R., Cardeynaels, T., Sudakov, I., Kesters, J., Verstappen, P., Manca, J., Champagne, B., Lutsen, L., Vanderzande, D., Vandewal, K., Goovaerts, E. & Maes, W., 1 Jul 2019, In : Solar Energy Materials and Solar Cells. 196, p. 178-184 7 p.

Research output: Contribution to journal › Article

Perylene

Polymers

Thiophenes

Electrons

Thiophene

Anti-alcohol abuse drug disulfiram inhibits human PHGDH via disruption of its active tetrameric form through a specific cysteine oxidation

Spillier, Q., Vertommen, D., Ravez, S., Marteau, R., Thémans, Q., Corbet, C., Feron, O., Wouters, J. & Frédérick, R., 1 Dec 2019, In : Scientific Reports. 9, 1, 4737.

Research output: Contribution to journal › Article

Open Access

Phosphoglycerate Dehydrogenase

Disulfiram

Alcoholism

Cysteine

Pharmaceutical Preparations

A Simple and Efficient Mechanochemical Route for the Synthesis of Salophen Ligands and of the Corresponding Zn, Ni, and Pd Complexes

Fusaro, L., Carletta, A., Dubois, J., Tumanov, N., Aprile, C., Wouters, J., Dalla Cort, A. & Leoni, L., 2019, In : Molecules. 24, 12, p. 2314 11 p.

Research output: Contribution to journal › Article

Open Access

File

X-Ray Diffraction

routes

Ligands

solid state

ligands

A tailored polymeric cationic tag–anionic Pd(ii) complex as a catalyst for the low-leaching Heck–Mizoroki coupling in flow and in biomass-derived GVL

Mahmoudi, H., Valentini, F., Ferlin, F., Bivona, L. A., Anastasiou, I., Fusaro, L., Aprile, C., Marrocchi, A. & Vaccaro, L., 2019, In : Green Chemistry. 21, 2, p. 355-360 6 p.

Research output: Contribution to journal › Article

Polystyrenes

palladium

Palladium

Binding sites

Leaching

2 Downloads (Pure)

Carbon paste modified with Bi decorated multi-walled carbon nanotubes and CTAB as a sensitive voltammetric sensor for the detection of Caffeic acid

Erady, V., Mascarenhas, R. J., Satpati, A. K., Bhakta, A. K., Mekhalif, Z., Delhalle, J. & Dhason, A., 1 May 2019, In : Microchemical Journal. 146, p. 73-82 10 p.

Research output: Contribution to journal › Article

Carbon Nanotubes

Ointments

Carbon

Sensors

Voltammetry

Cascade electronic band structured zinc oxide/bismuth vanadate/three-dimensional ordered macroporous titanium dioxide ternary nanocomposites for enhanced visible light photocatalysis

Zhao, H., Zalfani, M., Li, C. F., Liu, J., Hu, Z. Y., Mahdouani, M., Bourguiga, R., Li, Y. & Su, B. L., 15 Mar 2019, In : Journal of Colloid and Interface Science. 539, p. 585-597 13 p.

Research output: Contribution to journal › Article

Zinc Oxide

Photocatalysis

Zinc oxide

Bismuth

Titanium dioxide

Copper-zinc alloy electrodeposition mediated by triethanolamine as a complexing additive and chemical dealloying

Vivegnis, S., Delhalle, J., Mekhalif, Z. & Renner, F., 3 Jul 2019, In : Electrochimica Acta. 319, p. 400 409 p.

Research output: Contribution to journal › Article

Open Access

Triethanolamine

Zinc alloys

Copper alloys

Electrodeposition

Copper

Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase

Haufroid, M., Mirgaux, M., Leherte, L. & Wouters, J., 2019, In : Acta Crystallographica Section D: Biological Crystallography. 75, p. 592-604

Research output: Contribution to journal › Article

Serine

Enzymes

Phosphoserine

Molecular Dynamics Simulation

Glycine

Design and Catalytic Applications of 1D tubular nanostructures: Improving Efficiency in Glycerol Conversion

Bivona, L., Vivian, A., Fusaro, L., Fiorilli, S. & Aprile, C., 15 Jun 2019, In : Applied Catalysis B Environmental. 247, p. 182-190 9 p.

Research output: Contribution to journal › Article

Glycerol

Nanotubes

Nanostructures

Silicon Dioxide

silica

Design and synthesis of a new soluble natural β-carboline derivative for preclinical study by intravenous injection

Marx, S., Bodart, L., Tumanov, N. & Wouters, J., 25 Mar 2019, In : International Journal of Molecular Sciences. 20, 6, 14 p., 1491.

Research output: Contribution to journal › Article

Open Access

Carbolines

Intravenous Injections

Solubility

multiple docking adapters

solubility

Fabrication of Large Area Crack-Free 2D and 3D WO ₃ Inverse Opal Films by “Dynamic Hard Template Infiltration Strategy”

Li, H., Li, S., Robichaud, J., Su, B. L. & Djaoued, Y., 22 Mar 2019, In : ChemistrySelect. 4, 11, p. 3266-3273 8 p.

Research output: Contribution to journal › Article

Infiltration

Cracks

Fabrication

Electrochromic devices

Composite films

Fingerprint of Aromaticity and Molecular Topology on the Photophysical Properties of Octaphyrins

Woller, T., Geerlings, P., Proft, F. D., Champagne, B. & Alonso, M., 28 Mar 2019, In : Journal of Physical Chemistry C. 123, 12, p. 7318-7335 18 p.

Research output: Contribution to journal › Article

topology

Porphyrins

Topology

conjugation

porphyrins

Fluoride binding by an anionic receptor: tuning the acidity of amide NH groups for basic anion hydrogen bonding and recognition

Caltagirone, C., Montis, R., Lippolis, V., Bencini, A., Conti, L., Giorgi, C., Horton, P., Coles, S., Mapp, L. K., Gale, P. A. & Fusaro, L., 1 Jan 2019, In : Chem. commun.. 55, 19, p. 2745-2748 4 p.

Research output: Contribution to journal › Article

Fluorides

Amides

Acidity

Anions

Hydrogen bonds

HgII-Mediated TlI-to-TlIII Oxidation in Dynamic PbII/Tl Porphyrin Complexes

Le Gac, S., Ndoyom, V., Fusaro, L., Dorcet, V. & Boitrel, B., 14 Jan 2019, In : Chemistry: A European Journal. 25, 3, p. 845-853 9 p.

Research output: Contribution to journal › Article

Porphyrins

Metal ions

Thallium

Oxidation

Salts

Interaction of POPC, DPPC, and POPE with the μ opioid receptor: A coarse-grained molecular dynamics study

Angladon, M-A., Fossépré, M., Leherte, L. & Vercauteren, D., 2019, In : PLoS ONE. 19 p., e0213646.

Research output: Contribution to journal › Article

molecular dynamics

narcotics

Opioid Receptors

Molecular Dynamics Simulation

Molecular dynamics

Macrocellular Titanosilicate Monoliths as Highly Efficient Structured Olefin Epoxidation Catalysts

Smeets, V., van den Biggelaar, L., Barakat, T., Gaigneaux, E. M. & Debecker, D. P., 20 Mar 2019, In : ChemCatChem. 11, 6, p. 1593-1597 5 p.

Research output: Contribution to journal › Article

epoxidation

Epoxidation

Alkenes

Emulsions

alkenes

MOF-derived nitrogen-doped core-shell hierarchical porous carbon confining selenium for advanced lithium-selenium batteries

Song, J. P., Wu, L., Dong, W. D., Li, C., Chen, L. H., Dai, X., Li, C., Chen, H., Zou, W., Yu, W. B., Hu, Z. Y., Liu, J., Wang, H. E., Li, Y. & Su, B. L., 14 Apr 2019, In : Nanoscale. 11, 14, p. 6970-6981 12 p.

Research output: Contribution to journal › Article

Selenium

Lithium

Nitrogen

Carbon

Metals

Molecular cloning and 3D model of a fatty-acid elongase in a carnivorous freshwater teleost, the European perch (Perca fluviatilis)

Tinti, E., Geay, F., Lopes Rodrigues, M., Kestemont, P., Perpète, E. & Michaux, C., 1 Jun 2019, In : 3 Biotech. 9, 6, 14 p., 242.

Research output: Contribution to journal › Article

Perca fluviatilis

highly unsaturated fatty acids

molecular cloning

endoplasmic reticulum

fatty acids

Molybdenum disulfide quantum dots directing zinc indium sulfide heterostructures for enhanced visible light hydrogen production

Liu, Y., Li, C. F., Li, X. Y., Yu, W. B., Dong, W. D., Zhao, H., Hu, Z. Y., Deng, Z., Wang, C., Wu, S. J., Chen, H., Liu, J., Wang, Z., Chen, L. H., Li, Y. & Su, B. L., 1 Sep 2019, In : Journal of Colloid and Interface Science. 551, p. 111-118 8 p.

Research output: Contribution to journal › Article

Open Access

Indium sulfide

Hydrogen production

Semiconductor quantum dots

Molybdenum

Heterojunctions

Nitrogen-doped graphene in-situ modifying MnO nanoparticles for highly improved lithium storage

Huang, H. W., Fan, S. S., Dong, W., Zou, W., Yan, M., Deng, Z., Zheng, X., Liu, J., Wang, H. E., Chen, L., Li, Y. & Su, B. L., 15 Apr 2019, In : Applied Surface Science. 473, p. 893-901 9 p.

Research output: Contribution to journal › Article

Graphite

Lithium

Graphene

graphene

Nitrogen

Polymer-Supported Bis-1,2,4-triazolium Ionic Tag Framework for an Efficient Pd(0) Catalytic System in Biomass Derived γ-Valerolactone

Valentini, F., Mahmoudi, H., Bivona, L. A., Piermatti, O., Bagherzadeh, M., Fusaro, L., Aprile, C., Marrocchi, A. & Vaccaro, L., 1 Apr 2019, In : ACS Sustainable Chemistry and Engineering. 7, 7, p. 6939-6946 8 p.

Research output: Contribution to journal › Article

palladium

Palladium

Polymers

Biomass

polymer

Potentialization of anticancer agents by identification of new chemosensitizers active under hypoxia

Marx, S., Van Gysel, M., Breuer, A., Dal Maso, T., Michiels, C., Wouters, J. & Le Calve, B., 2019, In : Biochemical Pharmacology. 162, p. 224-236 13 p.

Research output: Contribution to journal › Article

Probing alkylsilane molecular structure on amorphous silica surfaces by sum frequency generation vibrational spectroscopy: First-principles calculations

Tetsassi Feugmo, C. G., Liégeois, V., Caudano, Y., Cecchet, F. & Champagne, B., 21 Feb 2019, In : The journal of chemical physics. 150, 7, p. 074703 074703.

Research output: Contribution to journal › Article

Radiative and non radiative recombinations study in the novel nanocomposites BiVO ₄ /3DOM-TiO ₂ , ZnO/3DOM-TiO ₂ and BiVO ₄ /3DOM-ZnO: Application to the photocatalysis

Mahdouani, M., Zalfani, M., Bourguiga, R. & Su, B. L., 1 Apr 2019, In : Physica E: Low-Dimensional Systems and Nanostructures. 108, p. 269-280 12 p.

Research output: Contribution to journal › Article

Photocatalysis

radiative recombination

charge carriers

Nanostructures

Nanocomposites

Regio‐and Diastereoselective Functionalization of 3‐Amino‐hexahydrooxazoninones

Schurgers, B., Wouters, J., De Blieck, A., Van Lommen, G., Menet, C. & Verniest, G., 2019, In : European Journal of Organic Chemistry. 2019, 1, p. 36-40

Research output: Contribution to journal › Article

Open Access

File

SBA-15/POSS-Imidazolium Hybrid as Catalytic Nanoreactor: the role of the Support in the Stabilization of Palladium Species for C−C Cross Coupling Reactions.

Calabrese, C., Campisciano, V., Siragusa, F., Liotta, L. F., Aprile, C., Gruttadauria, M. & Giacalone, F., 1 Jan 2019, In : Advanced Synthesis and Catalysis.

Research output: Contribution to journal › Article

Nanoreactors

Palladium

Stabilization

Catalysts

Catalyst supports

Structural Analysis of d -Phenylglycinamide Salts Uncovers Potential Pitfalls in Chiral Resolution via Diastereomeric Salt Formation

Tumanova, N., Seiler, V., Tumanov, N., Robeyns, K., Filinchuk, Y., Wouters, J. & Leyssens, T., 21 Jun 2019, In : Crystal Growth & Design.

Research output: Contribution to journal › Article

Open Access

structural analysis

Structural analysis

Salts

salts

Naproxen

Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and on crystal packing

Bodart, L., Tumanov, N. & Wouters, J., 26 May 2019, (Accepted/In press) In : Acta Crystallographica. Section B: Structural Science.

Research output: Contribution to journal › Article

Open Access

File

Radiation counters

Conformations

Clofazimine

Salts

Ions

1 Downloads (Pure)

Synthesis and characterization of maghemite nanocrystals decorated multi-wall carbon nanotubes for methylene blue dye removal

Bhakta, A. K., Kumari, S., Hussain, S., Martis, P., Mascarenhas, R. J., Delhalle, J. & Mekhalif, Z., 2019, In : Journal of Materials Science. 54, 1, p. 200-216 17 p.

Research output: Contribution to journal › Article

Carbon Nanotubes

Methylene Blue

Nanocrystals

Carbon nanotubes

Coloring Agents

Synthesis and switching properties of new derivatives of azoresveratrol

Berthet, J., Agouridas, L., Chen, S., Allouchi, H., Melnyk, P., Champagne, B. & Delbaere, S., 1 Dec 2019, In : Dyes and pigments. 171, 9 p., 107666.

Research output: Contribution to journal › Article

Esters

Irradiation

Lead compounds

Derivatives

Isomers

Targeting the serine pathway : a promising approach against tuberculosis?

Haufroid, M. & Wouters, J., 30 Apr 2019, In : Pharmaceuticals. 12, 2

Research output: Contribution to journal › Article

Open Access

Serine

Tuberculosis

Pharmaceutical Preparations

Betahistine

Enzymes

Templating effect of carbon nanoforms on highly cross-linked imidazolium network: Catalytic activity of the resulting hybrids with Pd nanoparticles

Campisciano, V., Calabrese, C., Liotta, L. F., La Parola, V., Spinella, A., Aprile, C., Gruttadauria, M. & Giacalone, F., 1 Jan 2019, In : Applied Organometallic Chemistry. 12 p., e4848.

Research output: Contribution to journal › Article

Catalyst activity

Carbon

Nanohorns

Nanoparticles

Carbon Nanotubes

The Halogen–Samarium Exchange Reaction: Synthetic Applications and Kinetics

Anthore-Dalion, L., Benischke, A. D., Wei, B., Berionni, G. & Knochel, P., 2019, In : Angewandte Chemie International Edition. 5 p.

Research output: Contribution to journal › Article

Ketones

Bromides

Acylation

Electronegativity

Kinetics

Type II heterojunction in hierarchically porous zinc oxide/graphitic carbon nitride microspheres promoting photocatalytic activity

Wu, S., Zhao, H. J., Li, C. F., Liu, J., Dong, W., Zhao, H., Wang, C., Liu, Y., Hu, Z. Y., Chen, L., Li, Y. & Su, B. L., 7 Mar 2019, In : Journal of Colloid and Interface Science. 538, p. 99-107 9 p.

Research output: Contribution to journal › Article

rhodamine B

Zinc Oxide

Carbon nitride

Zinc oxide

Microspheres

2018

1-(2-Hydroxybenzoyl)-thiosemicarbazides are promising antimicrobial agents targeting D-alanine-D-alanine ligase in bacterio

Ameryckx, A., Thabault, L., Pochet, L., Leimanis, S., Poupaert, J., Wouters, J., Joris, B., Van Bambeke, F. & Frederick, R., 5 Nov 2018, In : European journal of medicinal chemistry / Chimica therapeutica. 159, 5, p. 324-338 15 p.

Research output: Contribution to journal › Article

Open Access

Anti-Infective Agents

Cytotoxicity

Cells

Peptidoglycan

Structure-Activity Relationship

3D structure of a Brucella melitensis porin: molecular modelling in lipid membranes

Lopes Rodrigues, M., Zanuy, D., Carlos, A., Michaux, C. & Perpète, E., 2018, In : Journal of Biomolecular Structure Dynamics. p. 1-13

Research output: Contribution to journal › Article

Acidochromic spiropyran-merocyanine stabilisation in the solid state

Seiler, V. K., Callebaut, K., Robeyns, K., Tumanov, N., Wouters, J., Champagne, B. & Leyssens, T., 1 Jan 2018, In : CrystEngComm. 20, 24, p. 3318-3327 10 p.

Research output: Contribution to journal › Article

Inorganic acids

Stabilization

stabilization

solid state

acids

A hierarchical zeolitic Murray material with a mass transfer advantage promotes catalytic efficiency improvement

Peng, Z., Chen, L. H., Sun, M. H., Zhao, H., Wang, Z., Li, Y., Li, L. Y., Zhou, J., Liu, Z. C. & Su, B. L., 1 Nov 2018, In : Inorganic Chemistry Frontiers. 5, 11, p. 2829-2835 7 p.

Research output: Contribution to journal › Article

Zeolites

Mass transfer

Catalytic cracking

Crystallization

Benzene

A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules

Couvrat, N., Sanselme, M., Cartigny, Y., De Smet, F., Rome, S., Aerts, L., Quéré, L., Wouters, J. & Coquerel, G., 5 Sep 2018, In : Crystal Growth and Design. 18, 9, p. 4807-4810 4 p.

Research output: Contribution to journal › Article

isomorphism

Alkanes

Paraffins

alkanes

epilepsy

3 Downloads (Pure)

Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of Porphyrinoids

Woller, T., Geerlings, P., De Proft, F., Champagne, B. & Alonso, M., 2018, In : Molecules. 23, 6, p. 1333 28 p., 1333.

Research output: Contribution to journal › Article

Open Access

File

Absorption spectra

Optical properties

optical properties

Electrons

absorption spectra

Assessing the Structure of Octastate Molecular Switches Using 1H NMR Density Functional Theory Calculations

Hadj Mohamed, S., Quertinmont, J., Delbaere, S., Sanguinet, L. & Champagne, B., 25 Jan 2018, In : The Journal of Physical Chemistry C. 122, 3, p. 1800-1808 9 p.

Research output: Contribution to journal › Article

Density functional theory

Protons

switches

Switches

Nuclear magnetic resonance

12 Downloads (Pure)

Bi-functional heterogeneous catalysts for carbon dioxide conversion: enhanced performances at low temperature

Comès, A., Collard, X., Fusaro, L., Atzori, L., Cutrufello, M. G. & Aprile, C., 16 Jul 2018, In : RSC Advances. 8, 45, p. 25342-25350 9 p.

Research output: Contribution to journal › Article

Open Access

File

Carbon Dioxide

Carbon dioxide

Catalysts

glycidol

Bearings (structural)

Coherent TiO₂/BaTiO₃ heterostructure as a functional reservoir and promoter for polysulfide intermediates

Wang, H. E., Yin, K., Zhao, X., Qin, N., Li, Y., Deng, Z., Zheng, L., Su, B. L. & Lu, Z., 1 Jan 2018, In : Chemical Communications. 54, 86, p. 12250-12253 4 p.

Research output: Contribution to journal › Article

Polysulfides

Heterojunctions

Ferroelectric materials

Polarization

Kinetics

Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules

Beaujean, P. & Champagne, B., 1 Apr 2018, In : Theor. Chem. Acc.. 137, 4, 11 p., 50.

Research output: Contribution to journal › Article

Methyl Chloride

Carbon Tetrachloride

Methylene Chloride

Depolarization

carbon tetrachloride

DFT investigation of the diastereoselectivity of MX2 and MX3 Lewis acid catalyzed Mukaiyama aldol reaction between C,O,O-tris(trimethylsilyl)ketene acetal and aldehydes

Champagne, B., Slim, H. M. & Trabelsi, M., 2018, In : Journal of physical chemistry A. 122, 8, p. 1938-1947 10 p.

Research output: Contribution to journal › Article

Open Access

acetals

Lewis Acids

Acetals

aldehydes

Aldehydes

6 Downloads (Pure)

Direct Access by Mechanochemistry or Sonochemistry to Protonated Merocyanines: Components of a Four‐State Molecular Switch

Colaço, M., Carletta, A., Van Gysel, M., Robeyns, K., Tumanov, N. & Wouters, J., 2 Jul 2018, In : ChemistryOPEN. 7, 7, p. 520-526 7 p.

Research output: Contribution to journal › Article

Open Access

File

Sonochemistry

Switches

Condensation reactions

Crystallography

Iodides

Direct Orange 34 dye fixation by modified kaolin

Chargui, H., Hajjaji, W., Wouters, J., Yans, J. & Jamoussi, F., 1 Jan 2018, In : Clay Minerals. 53, 2, p. 271-287 17 p.

Research output: Contribution to journal › Article

Open Access

Kaolin

kaolin

fixation

dye

Coloring Agents