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List of works by Johan Wouters

"Magic" surface clustering of borazines driven by repulsive intermolecular forces

scientific article published on 04 June 2013

(2RS,5SR,6SR)-methyl 4-{cis-2-[3-fluoro-5-(4-methoxy-3,4,5,6-tetrahydro-2H-pyran-4-yl)phenoxymethyl]-6-hydroxy-3-phenylmorpholino}benzenesulfinate

scientific article published on 21 January 2006

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

scientific article published on 28 September 2018

1-Benzhydryl-3-phenylurea and 1-benzhydryl-3-phenylthiourea derivatives: new templates among the CB1 cannabinoid receptor inverse agonists

scientific article published in November 2005

2,5-Diamide-Substituted Five-Membered Heterocycles: Challenging Molecular Synthons

2,6-Dihydroxyanthraquinone: an isomer of the well known alizarin dye

3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties

scientific article

4-Methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazino]thiazole and its reduction product, 4-methyl-2-[N-(3,4-methylenedioxybenzylidene)hydrazono]-4,5-dihydrothiazole.

scientific article published on 16 January 2002

4-Nitro-N-phthalyl-l-tryptophan.

scientific article published on 23 July 2011

5-Substituted pyrimidine 1,5-anhydrohexitols: Conformational analysis and interaction with viral thymidine kinase

scientific article published on 01 June 1999

A MBP-FAAH fusion protein as a tool to produce human and rat fatty acid amide hydrolase: expression and pharmacological comparison.

scientific article published on 4 May 2007

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

scientific article

A biomimetic heteroditopic receptor for zwitterions in protic media

scientific article published on 13 November 2014

A crystallographic investigation of phosphoantigen binding to isopentenyl pyrophosphate/dimethylallyl pyrophosphate isomerase.

scientific article published in January 2005

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

scientific article

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

scientific article

A reversible monoamine oxidase A inhibitor, befloxatone: structural approach of its mechanism of action.

scientific article

A review on the monoacylglycerol lipase: at the interface between fat and endocannabinoid signalling.

scientific article published on January 2010

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

scientific article

A theoretical investigation of the hydrated glycine cation energetics and structures

Ab initio investigation of the hydration of deprotonated amino acids

scientific article published on 31 December 2008

Acid-base modulation of a versatile heteroditopic calix[6]arene based receptor

scientific article published on 04 August 2011

Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice

scientific article published on 15 September 2021

Advantages of cocrystallization in the field of solid-state pharmaceutical chemistry: L-Proline and MnCl(2).

scientific article published on 4 May 2010

An allosteric heteroditopic receptor for neutral guests and contact ion pairs with a remarkable selectivity for ammonium fluoride salts

scientific article published on 19 August 2010

Analysis of conserved active site residues in monoamine oxidase A and B and their three-dimensional molecular modeling

scientific article

Antagonism of the TXA2 receptor by seratrodast: a structural approach

scientific article published on 01 October 1999

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

scientific article published on 18 March 2019

Binding mode of new (thio)hydantoin inhibitors of fatty acid amide hydrolase: comparison with two original compounds, OL-92 and JP104

scientific article published on 17 July 2006

Bis-(1,2,3,4-tetrahydroisoquinolinium): a chiral scaffold for developing high-affinity ligands for SK channels

scientific article published on 01 April 2014

Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca(2+)-activated K(+) channel blockers

scientific article published on 29 March 2008

Bis-tetrahydroisoquinoline derivatives: structure analysis of the three stereoisomers of 1,1'-(propane-1,3-diyl)-bis-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline).

scientific article published on 25 March 2010

Catalytic mechanism of Escherichia coli isopentenyl diphosphate isomerase involves Cys-67, Glu-116, and Tyr-104 as suggested by crystal structures of complexes with transition state analogues and irreversible inhibitors

scientific article

Chemical modifications of the N-methyl-laudanosine scaffold point to new directions for SK channels exploration.

scientific article published on 6 November 2014

Chemoresistance to Valproate Treatment of Bovine Leukemia Virus-Infected Sheep; Identification of Improved HDAC Inhibitors

scientific article

Cobalt(II) Complexes of Nitrile-Functionalized Ionic Liquids

scientific article from 2010

Combining API in a dual-drug ternary cocrystal approach

scientific article published on 08 October 2020

Combining piracetam and lithium salts: ionic co-crystals and co-drugs?

article

Conformation and tautomerism of methoxy-substituted 4-phenyl-4-thiazoline-2-thiones: a combined crystallographic and ab initio investigation

scientific article

Conformation-controlled networking of H-bonded assemblies on surfaces

scientific article published in 2009

Copper-Catalyzed Alkenylation of Cyanamides.

scientific article published on 14 November 2017

Copper-catalysed domino silylative aldol reaction leading to stereocontrolled chiral quaternary carbons

scientific article published on 01 September 2010

Corrigendum to “Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca2+-activated K+ channel blockers” [Bioorg. Med. Chem. Lett. 19 18 (2008) 3440]

scholarly article by Amaury Graulich et al published January 2010 in Bioorganic & Medicinal Chemistry Letters

Crystal structure of BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, in complex with Enterobacter cloacae 908R beta-lactamase: evidence for a stereoselective mechanism from docking studies

scientific article published on 01 March 2005

Crystal structure of Enterobacter cloacae 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue

scientific article

Crystal structure of a cold-adapted class C beta-lactamase

scientific article

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

scientific article published on 04 June 2019

Crystal structures of two alanylpiperidine analogues

scientific article published in 2021

Crystallization behavior of milk fat obtained from linseed-fed cows

scientific article published on 01 February 2010

Crystallographic analysis of family 11 endo-beta-1,4-xylanase Xyl1 from Streptomyces sp. S38

scientific article

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

scientific article

Design and Synthesis of a New Soluble Natural β-Carboline Derivative for Preclinical Study by Intravenous Injection ⬇️

scientific article published on 25 March 2019

Design, synthesis and evaluation of graftable thrombin inhibitors for the preparation of blood-compatible polymer materials.

scientific article

Design, synthesis, and anticonvulsant activity of 1-(pyrid-3-ylsulfonamido)-2-nitroethylenes

scientific article published on 01 August 1998

Determination of Kinetics and the Crystal Structure of a Novel Type 2 Isopentenyl Diphosphate: Dimethylallyl Diphosphate Isomerase from Streptococcus pneumoniae

scientific article

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

scientific article published on 2 July 2018

Discovery and preliminary SARs of keto-indoles as novel indoleamine 2,3-dioxygenase (IDO) inhibitors ⬇️

scientific article published on February 26, 2011

Disulfiram is an inhibitor of human purified monoacylglycerol lipase, the enzyme regulating 2-arachidonoylglycerol signaling

scientific article published on 01 July 2007

Electronic transitions of neutral and anionic quinolinone HIV-1 integrase inhibitor: Joint theory/experiment investigation

article

Electrostatically-driven assembly of MWCNTs with a europium complex

scholarly article by Laura Maggini et al published 2011 in Chemical Communications

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

scientific article published on 01 June 2017

Exploration of the binding mode of indanesulfonamides as selective inhibitors of human carbonic anhydrase type VII by targeting Lys 91.

scientific article published on September 2007

Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB(1) cannabinoid receptor ligands and potential antagonists: synthesis, lipophilicity, affinity, and molecular modeling.

scientific article

Expression, purification, crystallization and preliminary X-ray analysis of the native class C beta-lactamase from Enterobacter cloacae 908R and two mutants

scientific article published on 01 January 2001

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

scientific article

How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study

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

scientific article published on 14 July 2015

Human DNA (cytosine-5)-methyltransferases: a functional and structural perspective for epigenetic cancer therapy.

scientific article

Identification, cloning, and expression of the Scytalidium acidophilum XYL1 gene encoding for an acidophilic xylanase

scientific article published on 01 January 2006

Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: structure-activity relationship and pharmacological evaluation

scientific article

Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX

scientific article published on 01 May 2006

Indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors.

scientific article published on 16 December 2010

Indoleamine 2,3-dioxygenase inhibitory activity of derivatives of marine alkaloid tsitsikammamine A.

scientific article published on 22 November 2012

Influence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1

scientific article published on 19 November 2020

Inhibition Studies on Enzymes Involved in Isoprenoid Biosynthesis: Focus on Two Potential Drug Targets: DXR and IDI-2 Enzymes.

scientific article published on July 2011

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

scientific article

Investigation of bound and unbound phosphoserine phosphatase conformations through Elastic Network Models and Molecular Dynamics simulations

scientific article published on 25 May 2020

Investigation of mechanism-based thrombin inhibitors: Implications of a highly conserved water molecule for the binding of coumarins within the S pocket.

scientific article published on 18 January 2006

Isopentenyl diphosphate isomerase. Mechanism-based inhibition by diene analogues of isopentenyl diphosphate and dimethylallyl diphosphate

scientific article published on December 2005

Isosterism among analogues of torasemide: conformational, electronic and lipophilic properties

scientific article published on 01 October 2000

Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors

scientific article published on 06 December 2008

Lys13 plays a crucial role in the functional adaptation of the thermophilic triose-phosphate isomerase from Bacillus stearothermophilus to high temperatures

scientific article published on 2 July 1999

Mechanism-based thrombin inhibitors: design, synthesis, and molecular docking of a new selective 2-oxo-2H-1-benzopyran derivative

scientific article published on 20 June 2007

Mechanistic insight into the Staudinger reaction catalyzed by N-heterocyclic carbenes

scientific article published on 10 June 2013

Microhydration of protonated glycine: an ab initio family tree

scientific article published in February 2008

Modeling of human monoamine oxidase A: from low resolution threading models to accurate comparative models based on crystal structures.

scientific article published on January 2004

Modeling the microhydration of protonated alanine

scientific article published on 23 July 2008

Molecular lipophilicity potential by CLIP, a reliable tool for the description of the 3D distribution of lipophilicity: application to 3-phenyloxazolidin-2-one, a prototype series of reversible MAOA inhibitors

scientific article published on 01 June 1998

Monoclinic form of isopentenyl diphosphate isomerase: a case of polymorphism in biomolecular crystals

scientific article

Morphine, a potential inhibitor of myeloperoxidase activity

scientific article published on 10 July 2018

N-acylated sulfonamide congeners of fosmidomycin lack any inhibitory activity against DXR

scientific article published on 12 February 2015

Novel trisubstituted harmine derivatives with original in vitro anticancer activity

scientific article

Overexpression, physicochemical characterization, and modeling of a hyperthermophilic pyrococcus furiosus type 2 IPP isomerase.

scientific article published in June 2008

Overexpression, purification, crystallization and crystallographic analysis of CopK of Cupriavidus metallidurans.

scientific article published on 31 August 2005

Overproduced Brucella abortus PdhS-mCherry forms soluble aggregates in Escherichia coli, partially associating with mobile foci of IbpA-YFP.

scientific article

Palladium-nanoparticle-catalyzed 1,7-palladium migration involving C-H activation, followed by intramolecular amination: regioselective synthesis of N1-arylbenzotriazoles and an evaluation of their inhibitory activity toward indoleamine 2,3-dioxygen

scientific article published on 24 June 2014

Pharmaceutical salts and cocrystals involving amino acids: a brief structural overview of the state-of-art.

scientific article published on 18 January 2014

Phenyl 2,3,4-tri-O-benzyl-1-thio-α-d-mannopyran-oside monohydrate

scientific article

Polymorphism of N-stearoylethanolamine: differential scanning calorimetric, vibrational spectroscopic (FTIR), and crystallographic studies.

scientific article published in October 2002

Polymorphism, fluorescence, and optoelectronic properties of a borazine derivative

scientific article

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

scientific article published on 07 January 2019

Preference of Cd(II) and Zn(II) for the two metal sites in Bacillus cereus beta-lactamase II: A perturbed angular correlation of gamma-rays spectroscopic study

scientific article published on 01 December 1999

Preliminary X-ray crystallographic analysis of tRNA pseudouridine 55 synthase from the thermophilic eubacterium Thermotoga maritima.

scientific article published on 19 December 2002

Preparation and characterization of a new harmine-based antiproliferative compound in complex with cyclodextrin: Increasing solubility while maintaining biological activity.

scientific article published on 14 June 2015

Probing the Diastereoselectivity of Staudinger Reactions Catalyzed by N-Heterocyclic Carbenes

scientific article published on 12 June 2015

Protecting role of cosolvents in protein denaturation by SDS: a structural study

scientific article

Purification, cloning, and three-dimensional structure prediction of Micrococcus luteus FAD-containing tyramine oxidase.

scientific article

Pyrazolo[4,3-c]isoquinolines as potential inhibitors of NF-kappaB activation

scientific article published on 21 January 2010

Qingheiite-(Fe2+), Na2Fe2+MgAl(PO4)3, a new phosphate mineral from the Sebastião Cristino pegmatite, Minas Gerais, Brazil

scientific article published in 2010

Refined structure of Pyrococcus furiosus ornithine carbamoyltransferase at 1.87 A

scientific article

Reinvestigation of the Branimycin Stereochemistry at Position 17-C

scientific article published on 05 February 2016

Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase

scientific article

Secondary structure of monoamine oxidase by FTIR spectroscopy

scientific article published on 01 March 1995

Selective Recognition of Phosphatidylcholine Lipids by a Biomimetic Calix[6]tube Receptor

scientific article published on 14 August 2015

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

scientific article published on 18 October 2017

Selective recognition of small hydrogen bond acceptors by a calix[6]arene-based molecular container

scientific article

Sequential acid/base-catalyzed polycyclization of tryptamine derivatives. A rapid access to Büchi's ketone

scientific article published on 01 November 2005

Short, asymmetric synthesis of epi-morphine ACNO analogues

scientific article published on 03 October 2006

Solid-state-trapped reactive ammonium carbamate self-derivative salts of prolinamide.

scientific article published on 12 August 2013

Stepwise hydration of protonated proline

scientific article published on 6 June 2008

Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers.

scientific article published on 21 May 2017

Structural analysis of Brucella abortus RicA substitutions that do not impair interaction with human Rab2 GTPase

scientific article

Structural and energy insights on solid-state complexes with trimethoprim: a combined theoretical and experimental investigation.

scientific article published on 14 July 2015

Structural approach of the mechanism of inhibition of alpha-chymotrypsin by coumarins.

scientific article published in April 2002

Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B

scientific article

Structural insights into human 5-lipoxygenase inhibition: combined ligand-based and target-based approach

scientific article published in January 2006

Structural role for Tyr-104 in Escherichia coli isopentenyl-diphosphate isomerase: site-directed mutagenesis, enzymology, and protein crystallography

scientific article published on 15 April 2006

Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations

scholarly article by Anaëlle Tilborg et al published 17 November 2011 in Acta Crystallographica Section B: Structural Science

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

scientific article published on 19 July 2019

Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics.

scientific article published on 27 October 2005

Structure-based drug design targeting biosynthesis of isoprenoids: a crystallographic state of the art of the involved enzymes.

scientific article published on April 2008

Substituted 2-thioxoimidazolidin-4-ones and imidazolidine-2,4-diones as fatty acid amide hydrolase inhibitors templates

scientific article published in January 2006

Substituted 5,5'-diphenyl-2-thioxoimidazolidin-4-one as CB1 cannabinoid receptor ligands: synthesis and pharmacological evaluation

scientific article published in April 2005

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

scientific article published on 22 February 2016

Supramolecular assistance for the selective demethylation of calixarene-based receptors.

scientific article published on 28 April 2015

Synthesis and activity of 1,3,5-triphenylimidazolidine-2,4-diones and 1,3,5-triphenyl-2-thioxoimidazolidin-4-ones: characterization of new CB1 cannabinoid receptor inverse agonists/antagonists

scientific article published in February 2006

Synthesis and bioactivity of β-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase

scientific article

Synthesis and biological evaluation of a new family of anti-benzylanilinosulfonamides as CA IX inhibitors

scientific article

Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors

scientific article published on 25 November 2010

Synthesis and inhibition study of monoamine oxidase, indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by 3,8-substituted 5H-indeno[1,2-c]pyridazin-5-one derivatives

scientific article published on 08 October 2011

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

scientific article published on 11 May 2017

Synthesis of 4- and 5-arylthiazolinethiones as inhibitors of indoleamine 2,3-dioxygenase.

scientific article

Synthesis of Tertiary Enamides by Ag2CO3-Promoted Pd-Catalyzed Alkenylation of Acyclic Secondary Amides

scientific article published on 20 September 2016

Synthesis of novel 13α-18-norandrostane-ferrocene conjugates via homogeneous catalytic methods and their investigation on TRPV1 receptor activation

scientific article published on 28 October 2015

Synthesis of two new alkyne-bearing linkers used for the preparation of siRNA for labeling by click chemistry with fluorine-18

scientific article published on 27 April 2012

Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: New structural insight into the HIV-1 integrase inhibition ⬇️

scientific article published on February 22, 2011

Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin

scientific article published on 07 February 2020

Synthesis, crystal structures and electronic properties of isomers of chloro-pyridinylvinyl-1H-indoles ⬇️

scientific article published on May 3, 2012

Synthesis, evaluation and structure-activity relationship of new 3-carboxamide coumarins as FXIIa inhibitors

scientific article published on 16 January 2016

Synthesis, structural reassignment, and biological activity of type B MAO inhibitors based on the 5H-indeno[1,2-c]pyridazin-5-one core

scientific article (publication date: 15 June 2006)

Synthetic Fosmidomycin analogues with altered chelating moieties do not inhibit 1-deoxy-d-xylulose 5-phosphate Reductoisomerase or Plasmodium falciparum growth in vitro.

scientific article published on 24 February 2014

Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with β-Arylpropyl Analogues of Fosmidomycin

scientific article

Templated Chromophore Assembly on Peptide Scaffolds: A Structural Evolution

scientific article published on 04 October 2018

Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site

scientific article published on 15 December 2021

The 5-HT(1A) agonism potential of substituted piperazine-ethyl-amide derivatives is conserved in the hexyl homologues: molecular modeling and pharmacological evaluation

scientific article

The dicyclohexylamine salt of RG108 (N-phthalyl-L-tryptophan), a potential epigenetic modulator ⬇️

scientific article published on November 13, 2010

The endoxylanases from family 11: computer analysis of protein sequences reveals important structural and phylogenetic relationships

scientific article published in May 2002

The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam.

scientific article

Thiosemicarbazide, a fragment with promising indolamine-2,3-dioxygenase (IDO) inhibition properties

scientific article published on 15 May 2014

Three 5H-indeno[1,2-c]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors.

scientific article published on 11 August 2004

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

scientific article

Towards the understanding of the absorption spectra of NAD(P)H/NAD(P)+ as a common indicator of dehydrogenase enzymatic activity

Tryptophan 2,3-Dioxygenase (TDO) Inhibitors. 3-(2-(Pyridyl)ethenyl)indoles as Potential Anticancer Immunomodulators ⬇️

scientific article published on July 18, 2011

Unprecedented copper(I) bifluoride complexes: synthesis, characterization and reactivity

scientific article published on 14 December 2011

Unraveling the Effects of Co-Crystallization on the UV/Vis Absorption Spectra of an N-Salicylideneaniline Derivative. A Computational RI-CC2 Investigation

scientific article published on 01 October 2020

Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules

scientific article

Versatile access to benzhydryl-phenylureas through an unexpected rearrangement during microwave-enhanced synthesis of hydantoins

scientific article published on 01 October 2003

Walking Down the Chalcogenic Group of the Periodic Table: From Singlet to Triplet Organic Emitters

article

Xylanase XYL1p from Scytalidium acidophilum: site-directed mutagenesis and acidophilic adaptation

scientific article published on 28 July 2009

endo-3,3-Dimethyl-4-oxobicyclo-[3.1.0]hexan-2-yl methane-sulfonate.

scientific article

{4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor

scientific article published on 22 November 2006

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