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Research Output 1992 2019

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2019

A coloring tool for spiropyrans: Solid state metal-organic complexation: Versus salification

Seiler, V. K., Robeyns, K., Tumanov, N., Cinčić, D., Wouters, J., Champagne, B. & Leyssens, T., 1 Jan 2019, In : CrystEngComm. 21, 33, p. 4925-4933 9 p.

Research output: Contribution to journalArticle

Coloring
Complexation
Metals
solid state
metals

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 journalArticle

Open Access
Phosphoglycerate Dehydrogenase
Disulfiram
Alcoholism
Cysteine
Pharmaceutical Preparations
1 Downloads (Pure)
Open Access
File
X-Ray Diffraction
routes
Ligands
solid state
ligands
Serine
Enzymes
Phosphoserine
Molecular Dynamics Simulation
Glycine
Open Access
Carbolines
Intravenous Injections
Solubility
multiple docking adapters
solubility
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., 2019, In : European Journal of Organic Chemistry. 2019, 1, p. 36-40

Research output: Contribution to journalArticle

Open Access
File

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 journalArticle

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

Targeting the serine pathway : a promising approach against tuberculosis?

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

Research output: Contribution to journalArticle

Open Access
Serine
Tuberculosis
Pharmaceutical Preparations
Betahistine
Enzymes
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 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
9 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
2 Downloads (Pure)
Open Access
File
Density functional theory
switches
Switches
density functional theory
solid state

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
Naproxen
polymorphism
grinding
Polymorphism
Proline
5 Downloads (Pure)
Open Access
File
Bearings (structural)
Enantiomers
Substitution reactions
Carbon

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

Morphine, a potential inhibitor of myeloperoxidase activity

Nyssen, P., Mouithys-Mickalad, A., Minguet, G., Sauvage, E., Wouters, J., Franck, T. & Hoebeke, M., 1 Oct 2018, In : Biochimica et Biophysica Acta - General Subjects. 1862, 10, p. 2236-2244 9 p.

Research output: Contribution to journalArticle

Morphine
Peroxidase
Antioxidants
Enzymes
Opioid Analgesics

Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals

Tumanova, N., Tumanov, N., Robeyns, K., Fischer, F., Fusaro, L., Morelle, F., Ban, V., Hautier, G., Filinchuk, Y., Wouters, J., Leyssens, T. & Emmerling, F., 4 Jan 2018, In : Crystal Growth & Design. 18, 2, p. 954-961 8 p.

Research output: Contribution to journalArticle

Flurbiprofen
Chirality
polymorphism
Ball milling
grinding

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

Photochromism
photochromism
Halogens
halogens
Photoisomerization

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

Scaffolds (biology)
Chromophores
Scaffolds
Peptides
Antennas
Tetraphenylborate
Photochromism
photochromism
Anions
boxes

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
steroids
Ethylene Glycol
Estranes
glycols
Condensation
2017

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

norharman
Harmine
Protein Transport
Neoplasms
Protein Unfolding
Open Access
Bond length
functionals
Density functional theory
switches
Switches

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
Polymorphism
structural analysis
Structural analysis
Hydrogen bonds
Oxazines

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

Freezing
Pharmaceutical Preparations
Alzheimer Disease
Hot Temperature
X-Rays

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

Ethanol
Acids
Esters
Functional groups
Dissolution

Copper-Catalyzed Alkenylation of Cyanamides

Nitelet, A., Wouters, J., Dewez, D. F. & Evano, G., 1 Dec 2017, In : Organic Letters. 19, 23, p. 6276-6279 4 p.

Research output: Contribution to journalArticle

Alkenylation
Cyanamide
cyanamides
cross coupling
Copper

Data in support of a harmine-derived beta-carboline in vitro effects in cancer cells through protein synthesis

Carvalho, A., Chu, J., Meinguet, C., Kiss, R., Vandenbussche, G., Masereel, B., Wouters, J., Kornienko, A., Pelletier, J. & Mathieu, V., 1 Jun 2017, In : Data in Brief. 12, p. 546-551 6 p.

Research output: Contribution to journalArticle

norharman
Harmine
Cytostatic Agents
Protein Biosynthesis
Cell Line

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

Encapsulation
Containers
Gases
Complexation
Greenhouse gases

Halogen-Bond Effects on the Thermo- and Photochromic Behaviour of Anil-Based Molecular Co-crystals

Carletta, A., Spinelli, F., d'Agostino, S., Ventura, B., Chierotti, M. R., Gobetto, R., Wouters, J. & Grepioni, F., 2017, In : Chemistry - A European Journal. 23, 22, p. 5317-5329 13 p.

Research output: Contribution to journalArticle

Halogens
Crystals
Photochromism
Imines
Crystalline materials

Inhibition studies of DNA methyltransferases by maleimide derivatives of RG108 as non-nucleoside inhibitors

Rondelet, G., Fleury, L., Faux, C., Masson, V., Dubois, J., Arimondo, P. B., Willems, L. & Wouters, J., 1 Sep 2017, In : Future Medicinal Chemistry. 9, 13, p. 1465-1481 17 p.

Research output: Contribution to journalArticle

Methyltransferases
DNA
Fluorometry
Mesothelioma
Nucleosides

Selective recognition of quaternary ammonium ions and zwitterions by using a biomimetic bis-calix[6]arene-based receptor

Moerkerke, S., Malytskyi, V., Marcélis, L., Wouters, J. & Jabin, I., 2017, In : Organic and Biomolecular Chemistry. 15, 42, p. 8967-8974 8 p.

Research output: Contribution to journalArticle

Biomimetics
zwitterions
biomimetics
Ammonium Compounds
Bearings (structural)

Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers

Mosca, D., Stopin, A., Wouters, J., Demitri, N. & Bonifazi, D., 2 Nov 2017, In : Chemistry - A European Journal. 23, 61, p. 15348-15354 7 p.

Research output: Contribution to journalArticle

Polycyclic Aromatic Hydrocarbons
Propellers
Polycyclic aromatic hydrocarbons
Conformations
Bearings (structural)

Synthesis of 16α-amino-pregnenolone derivatives via ionic liquid-catalyzed aza-Michael addition and their evaluation as C17,20-lyase inhibitors

Szánti-Pintér, E., Maksó, L., Gömöry, Á., Wouters, J., Edina Herman, B., Szécsi, M., Mikle, G., Kollár, L. & Skoda-Földes, R., 1 Jul 2017, In : Steroids. 123, p. 61-66 6 p.

Research output: Contribution to journalArticle

Ionic Liquids
Pregnenolone
Lyases
Derivatives
Nucleophiles
Indoleamine-Pyrrole 2,3,-Dioxygenase
Chemical modification
Complexation
Heme
Hydrophobic and Hydrophilic Interactions

Toward Fractioning of Isomers through Binding-Induced Acceleration of Azobenzene Switching

Vulcano, R., Pengo, P., Velari, S., Wouters, J., De Vita, A., Tecilla, P. & Bonifazi, D., 20 Dec 2017, In : Journal of the American Chemical Society. 139, 50, p. 18271-18280 10 p.

Research output: Contribution to journalArticle

Azobenzene
Isomerization
Isomers
Hot Temperature
Uracil
Boronic Acids
Acids
Bearings (structural)
Supramolecular chemistry
Crystal engineering
2016

A nano-sized container for specific encapsulation of isolated water molecules

Lavendomme, R., Marcélis, L., Wouters, J., Luhmer, M. & Jabin, I., 1 Jan 2016, In : Chemical Communications. 52, 98, p. 14109-14112 4 p.

Research output: Contribution to journalArticle

Encapsulation
Containers
Molecules
Water
Nuclear magnetic resonance

A selective calix[6]arene-based fluorescent chemosensor for phosphatidylcholine type lipids

Brunetti, E., Moerkerke, S., Wouters, J., Bartik, K. & Jabin, I., 2016, In : Organic and Biomolecular Chemistry. 14, 43, p. 10201-10207 7 p.

Research output: Contribution to journalArticle

Phosphatidylcholines
lipids
Lipids
Phosphatidylethanolamines
Phospholipid Transfer Proteins
Conformations
tautomers
Thiones
crystal structure
Crystal structure

Peculiar Case of Levetiracetam and Etiracetam α-Ketoglutaric Acid Cocrystals: Obtaining a Stable Conglomerate of Etiracetam

George, F., Norberg, B., Robeyns, K., Wouters, J. & Leyssens, T., 7 Sep 2016, In : Crystal Growth and Design. 16, 9, p. 5273-5282 10 p.

Research output: Contribution to journalArticle

etiracetam
Ketoglutaric Acids
Enantiomers
enantiomers
tautomers
Dicarboxylic Acids
dicarboxylic acids
Tuning
tuning
solid state

Reinvestigation of the Branimycin Stereochemistry at Position 17-C

Čikoš, A., Triballeau, N., Hubbard, P. A., Žiher, D., Stouten, P. F. W., Doyon, J. G. P. O., Deschrijver, T., Wouters, J., Lépine, R. H. M. & Saniere, L., 19 Feb 2016, In : Organic Letters. 18, 4, p. 780-783 4 p.

Research output: Contribution to journalArticle

Stereochemistry
stereochemistry
Molecular modeling
X ray crystallography
X Ray Crystallography
25 Downloads (Pure)
Open Access
File
Nucleosomes
DNA Methylation
Histones
Epigenomics
Histone Code

Supramolecular Wiring of Benzo-1,3-chalcogenazoles through Programmed Chalcogen Bonding Interactions

Kremer, A., Fermi, A., Biot, N., Wouters, J. & Bonifazi, D., 11 Apr 2016, In : Chemistry (Weinheim an der Bergstrasse, Germany). 22, 16, p. 5665-5675 11 p.

Research output: Contribution to journalArticle

Chalcogens
Electric wiring
Nitrogen
Cyclization
Surface potential
Factor XIIa
Coumarins
Structure-Activity Relationship
Enzyme Precursors
Blood Coagulation