Chemistry Department

2015

Frequency dispersion of the first hyperpolarizabilities of reference molecules for nonlinear optics

de Wergifosse, M., Castet, F. & Champagne, B., 21 May 2015, In : The journal of chemical physics. 142, 19, 194102.

Research output: Contribution to journal › Article

Nonlinear optics

Carbon Tetrachloride

carbon tetrachloride

nonlinear optics

Molecules

Fucofullerenes as tight ligands of RSL and LecB, two bacterial lectins

Buffet, K., Gillon, E., Holler, M., Nierengarten, J. F., Imberty, A. & Vincent, S., 21 Jun 2015, In : Organic and Biomolecular Chemistry. 13, 23, p. 6482-6492 11 p.

Research output: Contribution to journal › Article

Fucose

Lectins

Bearings (structural)

Ligands

ligands

Galactofuranose biosynthesis: Discovery, mechanisms and therapeutic relevance

Eppe, G., Bkassiny, S. E. & Vincent, S. P., 2015, In : RSC Drug Discovery. 2015-January, 43, p. 209-241 33 p.

Research output: Contribution to journal › Article

55 Downloads (Pure)

Glycan-foraging systems reveal the adaptation of Capnocytophaga canimorsus to the dog mouth

Renzi, F., Manfredi, P., Dol, M., Fu, J., Vincent, S. & Cornelis, G. R., 2015, In : mBio. 6, 2, e02507-14.

Research output: Contribution to journal › Article

Open Access

File

Capnocytophaga

Polysaccharides

Mouth

Peptidoglycan

Dogs

Helical molecular redox actuators with pancake bonds?

Beaujean, P. & Kertesz, M., 1 Dec 2015, In : Theoretical Chemistry Accounts. 134, 12, p. 1-10 10 p., 147.

Research output: Contribution to journal › Article

Charge transfer

Actuators

actuators

charge transfer

actuation

Hierarchically nanostructured porous group V_b metal oxides from alkoxide precursors and their role in the catalytic remediation of VOCs

Rooke, J. C., Barakat, T., Brunet, J., Li, Y., Finol, M. F., Lamonier, J. F., Giraudon, J. M., Cousin, R., Siffert, S. & Su, B. L., 1 Jan 2015, In : Applied Catalysis B: Environmental. 162, p. 300-309 10 p.

Research output: Contribution to journal › Article

Remediation

Volatile organic compounds

Oxides

volatile organic compound

remediation

Hierarchically Structured Porous Materials

Sun, M. H., Chen, L. H. & Su, B. L., 14 Sep 2015, Characterization and Properties of Sol-Gel Materials. Wiley-Blackwell, Vol. 2-3. p. 987-1030 44 p.

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

Porous materials

Metals

Functional materials

Hydrothermal synthesis

Photocatalysts

2 Downloads (Pure)

Hierarchically structured porous TiO₂ spheres constructed by interconnected nanorods as high performance anodes for lithium ion batteries

Cai, Y., Wang, H. E., Jin, J., Huang, S. Z., Yu, Y., Li, Y., Feng, S. P. & Su, B. L., 1 Dec 2015, In : Chemical Engineering Journal. 281, p. 844-851 8 p.

Research output: Contribution to journal › Article

lithium

Nanorods

Anodes

Lithium

ion

Hierarchical mesoporous urchin-like Mn₃O₄/carbon microspheres with highly enhanced lithium battery performance by in-situ carbonization of new lamellar manganese alkoxide (Mn-DEG)

Huang, S. Z., Cai, Y., Jin, J., Liu, J., Li, Y., Yu, Y., Wang, H. E., Chen, L. H. & Su, B. L., 1 Mar 2015, In : Nano Energy. 12, p. 833-844 12 p.

Research output: Contribution to journal › Article

Lithium batteries

Carbonization

Manganese

Microspheres

Nitrogen

Hierarchical nanosheet-constructed yolk-shell TiO₂ porous microspheres for lithium batteries with high capacity, superior rate and long cycle capability

Jin, J., Huang, S. Z., Li, Y., Tian, H., Wang, H. E., Yu, Y., Chen, L. H., Hasan, T. & Su, B. L., 14 Aug 2015, In : Nanoscale. 7, 30, p. 12979-12989 11 p.

Research output: Contribution to journal › Article

Lithium batteries

Nanosheets

Microspheres

Nanocrystallites

Electrolytes

185 Downloads (Pure)

Hierarchical Nanotube-Constructed Porous TiO₂-B Spheres for High Performance Lithium Ion Batteries

Cai, Y., Wang, H. E., Huang, S. Z., Jin, J., Wang, C., Yu, Y., Li, Y. & Su, B. L., 14 Jul 2015, In : Scientific Reports. 5, 11557.

Research output: Contribution to journal › Article

Open Access

File

Nanotubes

Lithium

Polymorphism

Specific surface area

Life cycle

Highly efficient, long life, reusable and robust photosynthetic hybrid core-shell beads for the sustainable production of high value compounds

Desmet, J., Meunier, C., Danloy, E., Duprez, M. E., Lox, F., Thomas, D., Hantson, A. L., Crine, M., Toye, D., Rooke, J. & Su, B. L., 5 Jun 2015, In : Journal of Colloid and Interface Science. 448, p. 79-87 9 p.

Research output: Contribution to journal › Article

Alginate

Silicon Dioxide

Silica

Biological fuel cells

Silicic Acid

24 Downloads (Pure)

Highly porous TiO₂ hollow microspheres constructed by radially oriented nanorods chains for high capacity, high rate and long cycle capability lithium battery

Jin, J., Huang, S. Z., Shu, J., Wang, H. E., Li, Y., Yu, Y., Chen, L. H., Wang, B. J. & Su, B. L., 1 Sep 2015, In : Nano Energy. 16, p. 339-349 11 p.

Research output: Contribution to journal › Article

Lithium batteries

Nanorods

Microspheres

Anodes

2-Propanol

High surface area zincosilicates as efficient catalysts for the synthesis of ethyl lactate: an in-depth structural investigation

Collard, X., Louette, P., Fiorilli, S. & Aprile, C., 2015, In : Physical Chemistry Chemical Physics. 17, 40, p. 26756-26765 10 p.

Research output: Contribution to journal › Article

lactates

X ray photoelectron spectroscopy

catalysts

Catalysts

synthesis

Hollow Cu₂O microspheres with two active {111} and {110} facets for highly selective adsorption and photodegradation of anionic dye

Chen, D. S., Yu, W. B., Deng, Z., Liu, J., Jin, J., Li, Y., Wu, M., Chen, L. H. & Su, B. L., 2015, In : RSC Advances. 5, 68, p. 55520-55526 7 p.

Research output: Contribution to journal › Article

Photodegradation

Microspheres

Coloring Agents

Dyes

Adsorption

4 Downloads (Pure)

How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling

Carletta, A., Tilborg, A., Moineaux, L., De Ruyck, J., Basile, L., Salerno, L., Romeo, G., Wouters, J. & Guccione, S., 1 Aug 2015, In : Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 71, p. 447-454 8 p.

Research output: Contribution to journal › Article

Heme Oxygenase-1

Molecular modeling

imidazoles

inhibitors

Conformations

Imidazolium-based silica microreactors for the efficient conversion of carbon dioxide

Buaki-Sogo, M., Garcia, H. & Aprile, C., 1 Feb 2015, In : Catalysis Science and Technology. 5, 2, p. 1222-1230 9 p.

Research output: Contribution to journal › Article

Carbon Dioxide

Silicon Dioxide

Carbon dioxide

Silica

Carbonates

Induced transformation of amorphous silica to cristobalite on bacterial surfaces

Xue, S. H., Xie, H., Ping, H., Li, Q. C., Su, B. L. & Fu, Z. Y., 10 Aug 2015, In : RSC Advances. 5, 88, p. 71844-71848 5 p.

Research output: Contribution to journal › Article

Silicon Dioxide

Silica

Bacteria

Phase transitions

Surface charge

Inelastic electron tunneling of C₆₀ on gold surfaces from first-principles calculations

Ségerie, A., Liégeois, V. & Champagne, B., Jan 2015, In : Journal of Physical Chemistry C. 119, 1, p. 803-818 16 p.

Research output: Contribution to journal › Article

Electron tunneling

electron tunneling

Gold

gold

Electrodes

6 Downloads (Pure)

Insights into the structure–activity relationships of chiral 1,2-diaminophenylalkane platinum(II) anticancer derivatives

Berger, G., Fusaro, L., Luhmer, M., Czapla-Masztafiak, J., Lipiec, E., Szlachetko, J., Kayser, Y., Fernandes, D. A., Sá, J., Dufrasne, F. & Bombard, S., 2015, In : JBIC Journal of Biological Inorganic Chemistry. p. 1-13 13 p.

Research output: Contribution to journal › Article

Interfacing proteins with graphitic nano materials: From spontaneous attraction to tailored assemblies

De Leo, F., Magistrato, A. & Bonifazi, D., 7 Oct 2015, In : Chemical Society Reviews. 44, 19, p. 6916-6953 38 p.

Research output: Contribution to journal › Article

Open Access

Nanostructured materials

Proteins

Fullerenes

Medical nanotechnology

Biochemistry

70 Downloads (Pure)

Iron nanoparticles decorated multi-wall carbon nanotubes modified carbon paste electrode as an electrochemical sensor for the simultaneous determination of uric acid in the presence of ascorbic acid, dopamine and l-tyrosine

Bhakta, A. K., Mascarenhas, R. J., D'Souza, O. J., Satpati, A. K., Detriche, S., Mekhalif, Z. & Delhalle, J., 17 Aug 2015, In : Materials science and engineering C. 57, p. 328-337 10 p.

Research output: Contribution to journal › Article

Open Access

File

uric acid

dopamine

Electrochemical sensors

Carbon Nanotubes

ascorbic acid

261 Downloads (Pure)

Les difficultés rencontrées dans l’apprentissage du concept de concentration en chimie: Construction d’un outil didactique permettant de mettre en évidence les erreurs d’élèves lors de l’utilisation du concept de concentration chimique

Willame, B. & Snauwaert, P., 8 Dec 2015, In : Spirale : revue de recherche en éducation . 55, p. 177-205 28 p.

Research output: Contribution to journal › Article

Open Access

File

10 Downloads (Pure)

Les prix Nobel de Chimie 2014: du microscope optique au nanoscope

Fripiat, J. G., Sep 2015, In : Revue des Questions scientifiques,. 186, 4, p. 519-528

Research output: Contribution to journal › Article

Open Access

File

14 Downloads (Pure)

Light harvesting in photonic crystals revisited: why do slow photons at the blue edge enhance absorption?

Deparis, O., Mouchet, S. & Su, B. L., 26 Oct 2015, In : Physical Chemistry Chemical Physics. 17, 45, p. 30525-30532 8 p.

Research output: Contribution to journal › Article

File

Photonic crystals

Photons

photonics

photons

Tuning

L’équation de réaction : une équation à plusieurs inconnues – Étude de productions d’élèves de 16-17 ans en Belgique francophone

Dehon, J. & Snauwaert, P., 2015, In : Recherches en didactique des sciences et des techniques. 12, p. 209 235 p.

Research output: Contribution to journal › Article

Magnetically-Active Carbon Nanotubes at Work

Stopin, A., Pineux, F., Marega, R. & Bonifazi, D., 1 Jun 2015, In : Chemistry: A European Journal. 21, 26, p. 9288-9301 14 p.

Research output: Contribution to journal › Article

Carbon Nanotubes

Carbon nanotubes

Nanoparticles

Magnetic fluids

Magnetic resonance

Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products

Colaco, M. O., Dubois, J. & Wouters, J., 28 Mar 2015, In : CrystEngComm. 17, 12, p. 2523-2528 6 p.

Research output: Contribution to journal › Article

Phthalimides

phthalimides

Crystal structure

solid state

crystal structure

Mesoporous metal oxide/silica composites with photocatalytic activity and magnetic response

Collard, X., Comes, A. & Aprile, C., 1 Mar 2015, In : Catalysis Today. 241, PA, p. 33-39 7 p.

Research output: Contribution to journal › Article

Silicon Dioxide

Oxides

rhodamine B

Metals

Silica

Modeling of structural, energetic, and dynamic properties of few-atom silver clusters embedded in polynucleotide strands by using molecular dynamics

Staelens, N., Leherte, L., Champagne, B. & Vercauteren, D. P., 2 Feb 2015, In : ChemPhysChem. 16, 2, p. 360-369 10 p.

Research output: Contribution to journal › Article

polynucleotides

Polynucleotides

Silver

strands

dynamic characteristics

N-acyl-dithieno[3,2-b2',3'-d]pyrrole-based low bandgap copolymers affording improved open-circuit voltages and efficiencies in polymer solar cells

Kesters, J., Verstappen, P., Vanormelingen, W., Drijkoningen, J., Vangerven, T., Devisscher, D., Marin, L., Champagne, B., Manca, J., Lutsen, L., Vanderzande, D. & Maes, W., 2015, In : Solar Energy Materials and Solar Cells. 136, p. 70-77 8 p.

Research output: Contribution to journal › Article

Pyrroles

Open circuit voltage

Energy gap

Copolymers

Acylation

Nitinol modified by in situ generated diazonium from its nitro precursor for the SI-ATRP of 2-hydroxyethyl methacrylate

Jacques, A., Barthélémy, B., Delhalle, J. & Mekhalif, Z., 2015, In : Journal of Electrochemical Society. 162, 10, p. G94-F102 9 p.

Research output: Contribution to journal › Article

Atom transfer radical polymerization

polymerization

corrosion resistance

Corrosion resistance

atoms

Novel 3DOM BiVO₄/TiO₂ nanocomposites for highly enhanced photocatalytic activity

Zalfani, M., Van Der Schueren, B., Hu, Z. Y., Rooke, J. C., Bourguiga, R., Wu, M., Li, Y., Van Tendeloo, G. & Su, B. L., 8 Sep 2015, In : Journal of Materials Chemistry A. 3, 42, p. 21244-21256 13 p.

Research output: Contribution to journal › Article

Nanocomposites

Nanoparticles

rhodamine B

Photoluminescence spectroscopy

Electrons

8 Downloads (Pure)

Numerical differentiation method to calculate molecular properties at ground and excited states - Application to Julolidinemalononitrile

Louant, O., Champagne, B. & Liégeois, V., 29 Jun 2015, In : Chemical Physics Letters. 634, p. 249-254 6 p.

Research output: Contribution to journal › Article

numerical differentiation

molecular properties

Dipole moment

Excited states

Ground state

On the Modularity of the Intrinsic Flexibility of the μ Opioid Receptor: A Computational study

Fossépré, M., Leherte, L., Laaksonen, A. & Vercauteren, D. P., 2015, In : PLoS ONE. 9, 12, 29 p., e115856.

Research output: Contribution to journal › Article

narcotics

Opioid Receptors

receptors

chemical speciation

G-Protein-Coupled Receptors

Organized intrafibrillar mineralization, directed by a rationally designed multi-functional protein

Ping, H., Xie, H., Su, B. L., Cheng, Y. B., Wang, W., Wang, H., Wang, Y., Zhang, J., Zhang, F. & Fu, Z., 14 Jun 2015, In : Journal of Materials Chemistry C. 3, 22, p. 4496-4502 7 p.

Research output: Contribution to journal › Article

Durapatite

Integrin-Binding Sialoprotein

Hydroxyapatite

Bone

Proteins

24 Downloads (Pure)

Palladium supported on sulfonated polystyrene resins as catalyst for the direct flow synthesis of H2O2

Dolusic, E., Plas, A. & Lanners, S., 10 Dec 2015, p. P15. 1 p.

Research output: Contribution to conference › Poster

Open Access

File

Polystyrenes

Palladium

Resins

Gases

Metals

Pd-Co₃[Co(CN)₆]₂ hybrid nanoparticles: Preparation, characterization, and challenge for the Suzuki-Miyaura coupling of aryl chlorides under mild conditions

Li, R., Li, R., Wang, C., Gao, L. & Chen, Q., 2015, In : Dalton Transactions. 45, 2, p. 539-544 6 p.

Research output: Contribution to journal › Article

Chlorides

Nanoparticles

Reusability

Nanocrystals

Costs

Pigment violet 19-a test case to define a simple method to simulate the vibronic structure of absorption spectra of organic pigments and dyes in solution

Champagne, B., Liégeois, V. & Zutterman, F., 4 Feb 2015, In : Photochemical and Photobiological Sciences. 14, 2, p. 444-456 13 p.

Research output: Contribution to journal › Article

pigments

Pigments

Absorption spectra

Coloring Agents

Excited states

Polyhedral Oligomeric Silsesquioxane Based Catalyst for the Efficient Synthesis of Cyclic Carbonates

Bivona, L. A., Fichera, O., Fusaro, L., Giacalone, F., Buaki-Sogo, M., Gruttadauria, M. & Aprile, C., 21 Jul 2015, In : Catal. Sci. Technol.. 5, 11, p. 5000-5007 8 p.

Research output: Contribution to journal › Article

Carbonates

Nuclear magnetic resonance

Catalysts

Catalyst selectivity

Epoxy Compounds

Polypyrrole-supported membrane proteins for bio-inspired ion channels

Pérez-Madrigal, M. M., Del Valle, L. J., Armelin, E., Michaux, C., Roussel, G., Perpète, E. A. & Alemán, C., 2015, In : ACS Applied Materials and Interfaces. 7, 3, p. 1632-1643 12 p.

Research output: Contribution to journal › Article

Polypyrroles

Ion Channels

Membrane Proteins

Proteins

Membranes

poster presentation : 29Si NMR study of poluhedral oligomeric silsesquioxane based catalysts.

Fusaro, L., 30 Nov 2015.

Research output: Contribution to conference › Poster

PPV Polymerization through the Gulch Route: Diradical Character of Monomers

Nikolic, J. D., Wouters, S., Romanova, J., Shimizu, A., Champagne, B., Junkers, T., Vanderzande, D., Van Neck, D., Waroquier, M., Van Speybroeck, V. & Catak, S., 21 Dec 2015, In : Chemistry: A European Journal. 21, 52, p. 19176-19185 10 p.

Research output: Contribution to journal › Article

Open Access

Monomers

Polymerization

Dimerization

Free radical polymerization

Electronic structure