Research Output 1966 2020

Probing and suppressing voltage fade of Li-rich Li1.2Ni0.13Co0.13Mn0.54O2 cathode material for lithium-ion battery

Zou, W., Xia, F. J., Song, J. P., Wu, L., Chen, L. D., Chen, H., Liu, Y., Dong, W. D., Wu, S. J., Hu, Z. Y., Liu, J., Wang, H. E., Chen, L. H., Li, Y., Peng, D. L. & Su, B. L., 20 Sep 2019, In : Electrochimica Acta. 318, p. 875-882 8 p.

Research output: Contribution to journalArticle

Cathodes
Electric potential
Cations
Positive ions
Lithium-ion batteries
Open Access
Boron Compounds
Boron compounds
Boron
Acidity
Lewis Acids

QCM sensing of multivalent interactions between lectins and well-defined glycosylated nanoplatforms

Abellán-Flos, M., Timmer, B. J. J., Altun, S., Aastrup, T., Vincent, S. P. & Ramström, O., 15 Aug 2019, In : Biosensors and Bioelectronics. 139, 111328.

Research output: Contribution to journalArticle

Quartz Crystal Microbalance Techniques
Nanostructures
Quartz crystal microbalances
Lectins
Fullerenes
Photocatalysis
radiative recombination
charge carriers
Nanostructures
Nanocomposites
1 Downloads (Pure)

Regio‐and Diastereoselective Functionalization of 3‐Amino‐hexahydrooxazoninones

Schurgers, B., Wouters, J., De Blieck, A., Van Lommen, G., Menet, C. & Verniest, G., 10 Jan 2019, In : European Journal of Organic Chemistry. 2019, 1, p. 36-40 5 p.

Research output: Contribution to journalArticle

Open Access
File
Lactams
epoxidation
metathesis
nucleophiles
closing
Open Access
Gems
Pentoses
Hexoses
pentose
hexoses

Resilience to Conformational Fluctuations Controls Energetic Disorder in Conjugated Polymer Materials: Insights from Atomistic Simulations

Lemaur, V., Cornil, J., Lazzaroni, R., Sirringhaus, H., Beljonne, D. & Olivier, Y., 10 Sep 2019, In : Chemistry of Materials. 31, 17, p. 6889-6899 11 p.

Research output: Contribution to journalArticle

Conjugated polymers
Polymers
Torsional stress
Transport properties
Electronic structure
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., 3 Jul 2019, In : Crystal Growth & Design. 19, 7, p. 3652-3659 8 p.

Research output: Contribution to journalArticle

Open Access
structural analysis
Structural analysis
Salts
salts
Naproxen
3 Downloads (Pure)
Open Access
File
Radiation counters
Conformations
counters
Salts
Clofazimine
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 journalArticle

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 journalArticle

Esters
Irradiation
Lead compounds
Derivatives
Isomers

Synthesis of hydrophobic and hydrophilic TiO2 nanofluids for transformable surface wettability and photoactive coating

Hu, J., Zhao, T., Geng, W., Lu, Y., Zhao, X. F., Li, Y. Z., Tang, Y. Q., Liu, J. W., Wang, L. Y., Janiak, C., Yang, X. Y. & Su, B. L., 2019, In : Chemical Communications. 55, 63, p. 9275-9278 4 p.

Research output: Contribution to journalArticle

Fluidity
Wetting
Chlorides
Ion exchange
Thermodynamic stability
1 Downloads (Pure)

Targeting the serine pathway: a promising approach against tuberculosis?

Haufroid, M. & Wouters, J., 1 Jun 2019, In : Pharmaceuticals. 12, 2, 66.

Research output: Contribution to journalArticle

Open Access
File
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 Jul 2019, In : Applied Organometallic Chemistry. 33, 7, 12 p., e4848.

Research output: Contribution to journalArticle

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., 18 Mar 2019, In : Angewandte Chemie International Edition. 58, 12, p. 4046-4050 5 p.

Research output: Contribution to journalArticle

Ketones
Bromides
Acylation
Electronegativity
Kinetics

Theoretical Assessment of the Second-Order Nonlinear Optical Responses of Lindqvist-Type Organoimido Polyoxometalates

Rtibi, E., Abderrabba, M., Ayadi, S. & Champagne, B., 19 Aug 2019, In : Inorganic Chemistry. 58, 16, p. 11210-11219 10 p.

Research output: Contribution to journalArticle

Bearings (structural)
Ligands
ligands
Electrons
Density functional theory
Neoplasms
Proteins
Neoplasm Metastasis
Cardiovascular System
Epigenomics
8 Downloads (Pure)

Tuning conformation, assembly, and charge transport properties of conjugated polymers by printing flow

Park, K. S., Kwok, J. J., Dilmurat, R., Qu, G., Kafle, P., Luo, X., Jung, S. H., Olivier, Y., Lee, J. K., Mei, J., Beljonne, D. & Diao, Y., 9 Aug 2019, In : Science Advances. 5, 8, p. eaaw7757 eaaw7757.

Research output: Contribution to journalArticle

Open Access
File
printing
assembly
transport properties
tuning
polymers

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 journalArticle

rhodamine B
Zinc Oxide
Carbon nitride
Zinc oxide
Microspheres

Use of pyrophosphate and boric acid additives in the copper-zinc alloy electrodeposition and chemical dealloying

Vivegnis, S., Krid, M., Delhalle, J., Mekhalif, Z. & Renner, F., 1 Sep 2019, In : Journal of Electroanalytical Chemistry. 848, p. 113310 8 p., 113310.

Research output: Contribution to journalArticle

Zinc alloys
Boric acid
Copper alloys
Electrodeposition
Copper
Hair Dyes
Ointments
Carbon
Dyes
Electrochemical sensors
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 journalArticle

Open Access
Anti-Infective Agents
Cytotoxicity
Cells
Peptidoglycan
Structure-Activity Relationship

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 journalArticle

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 journalArticle

Zeolites
Mass transfer
Catalytic cracking
Crystallization
Benzene

Alternative Solid Forms: Co-crystals

Wouters, J., Braga, D., Grepioni, F., Aerts, L. & Quéré, L., 2018, Polymorphism in the Pharmaceutical Industry : Solid Forms and Drug Development. Hilfiker, R. & von Raumer, M. (eds.). Wiley, 32 p.

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

Crystals
Crystal engineering
Pharmaceutical Preparations
Complexation
Drug products

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 journalArticle

isomorphism
Alkanes
Paraffins
alkanes
epilepsy

Applications of Leveling Methods to Properties of Small Molecules and Protein Systems

Leherte, L., 2018, Innovations in Computational Chemistry: Theoretical and Quantum Chemistry at the Dawn of the 21st Century. Carbó-Dorca, R. & Chakraborty, T. (eds.). p. 197-248 51 p.

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

Multiresolution analysis
Molecules
Crystallography
Ubiquitin
Charge density
4 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., 1 Jan 2018, In : Molecules. 23, 6, p. 1333 28 p., 1333.

Research output: Contribution to journalArticle

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 journalArticle

Density functional theory
Protons
switches
Switches
Nuclear magnetic resonance
17 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 journalArticle

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 journalArticle

Polysulfides
Heterojunctions
Ferroelectric materials
Polarization
Kinetics
Methyl Chloride
Carbon Tetrachloride
Methylene Chloride
Depolarization
carbon tetrachloride
Open Access
acetals
Lewis Acids
Acetals
aldehydes
Aldehydes
13 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 journalArticle

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 journalArticle

Open Access
Kaolin
kaolin
fixation
dye
Coloring Agents

Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

Pielak, K., Tonnelé, C., Sanguinet, L., Cariati, E., Righetto, S., Muccioli, L., Castet, F. & Champagne, B., 15 Nov 2018, In : Journal of Physical Chemistry C. 122, 45, p. 26160-26168 9 p.

Research output: Contribution to journalArticle

Harmonic generation
harmonic generations
switches
Switches
Trifluoroacetic Acid
6 Downloads (Pure)
Open Access
File
Density functional theory
switches
Switches
density functional theory
solid state
Aluminum chloride
Ionic Liquids
Ammonium Chloride
Aluminum
Ionic liquids

Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Nagami, T., Fujiyoshi, J. Y., Tonami, T., Watanabe, K. I., Yamane, M., Okada, K., Kishi, R., Nakano, M., Champagne, B. & Liégeois, V., 12 Sep 2018, In : Chemistry - A European Journal. 24, 51, p. 13457-13466 10 p.

Research output: Contribution to journalArticle

Aromatic polymers
Induced currents
Spatial distribution
Electronic density of states
Benzene

Experimental and theoretical study of hydrogen desorption process from Mn(BH4)2

Pankin, I. A., Guda, A. A., Tumanov, N. A., Filinchuk, Y., Lomachenko, K. A., Bugaev, A. L., Guda, S. A., Shapovalov, V. V., Lamberti, C. & Soldatov, A. V., 25 Feb 2018, In : Journal of alloys and Compounds. 735, p. 277-284 8 p.

Research output: Contribution to journalArticle

Borohydrides
X ray absorption spectroscopy
Manganese
X ray powder diffraction
Hydrogen
2 Downloads (Pure)

Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals

Tumanova, N., Tumanov, N., Fischer, F., Morelle, F., Ban, V., Robeyns, K., Filinchuk, Y., Wouters, J., Emmerling, F. & Leyssens, T., 1 Jan 2018, In : CrystEngComm. 20, 45, p. 7308-7321 14 p.

Research output: Contribution to journalArticle

Open Access
File
Naproxen
polymorphism
grinding
Polymorphism
Proline

Halogen-bonded cocrystals of N -salicylidene Schiff bases and iodoperfluorinated benzenes: Hydroxyl oxygen as a halogen bond acceptor

Carletta, A., Zbačnik, M., Vitković, M., Tumanov, N., Stilinović, V., Wouters, J. & Cinčić, D., 1 Jan 2018, In : CrystEngComm. 20, 36, p. 5332-5339 8 p.

Research output: Contribution to journalArticle

Halogens
Schiff Bases
Benzene
Hydroxyl Radical
halogens
4 Downloads (Pure)

Influence of Protein-Solvent Interactions on the Molecular Dynamics of Reduced Point Charge Models of Proteins - COMP5

Leherte, L. & Vercauteren, D., 2018, Abstracts of the 255th Annual Meeting and Exposition of the American Chemical Society. ACS

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

Open Access
File
Molecular dynamics
Water
Proteins
Atoms
Amino Acids