Hannelore Goossens

Publications

A1 publications

Published

2018

[A1 Publication] Formation of Fluorinated Amido Esters through Unexpected C3-C4 Bond Fission in 4-Trifluoromethyl-3-oxo-β-lactams

Authors

Thi H. D.; Goossens H.; Hertsen D.; Otte V.; Van Nguyen T.; Van Speybroeck V.; D'Hooghe M.

Chemistry - An Asian Journal 2018. 13(4): 421 - 431.

http://dx.doi.org/10.1002/asia.201701636

2017

[A1 Publication] Reactivity of 3-oxo-β-lactams with respect to primary amines - an experimental and computational approach

Authors

Piens N.; Goossens H.; Hertsen D.; Deketelaere S.; Crul L.; Demeurisse L.; De Moor J.; Van den Broeck E.; Mollet K.; Van Hecke K.; Van Speybroeck V.; D'Hooghe M.

Chemistry-A European Journal 2017. 23(71): 18002 - 18009.

http://dx.doi.org/10.1002/chem.201703852

[A1 Publication] Design of a thermally controlled sequence of triazolinedione-based click and transclick reactions

Authors

Houck H. A.; De Bruycker K.; Billiet S.; Dhanis B.; Goossens H.; Catak S.; Van Speybroeck V.; Winne J. M.; Du Prez F.

Chemical Science 2017. 8(4): 3098 - 3108.

http://dx.doi.org/10.1039/c7sc00119c

2016

[A1 Publication] Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: A computational approach

Authors

Furuncuoğlu T.; Kura B.; Catak S.; Goossens H.; Van Speybroeck V.; Waroquier M.; Aviyente V.

European Polymer Journal 2016. 83: 67 - 76.

http://dx.doi.org/10.1016/j.eurpolymj.2016.08.010

2015

[A1 Publication] Beyond the diketopiperazine family with alternatively bridged brevianamide F analogues

Authors

Wauters I.; Goossens H.; Delbeke E.; Muylaert K.; Roman B. I.; Van Hecke K.; Van Speybroeck V.; Stevens C. V.

Chemistry-A European Journal 2015. 80(16): 8046 - 8054. IF: 4.3 66/178 [Q2]

http://dx.doi.org/10.1021/acs.joc.5b01161

[A1 Publication] Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1

Authors

Goossens H.; Heugebaert T. S. A.; Dereli B.; Van Overtveldt M.; Karahan O.; Doğan I.; Waroquier M.; Van Speybroeck V.; Aviyente V.; Catak S.; Stevens C. V.

European Journal of Organic Chemistry 2015. 2015(6): 1211 - 1217. IF: 3.068 17/59 [Q2]

http://dx.doi.org/10.1002/ejoc.201403457

[A1 Publication] On the Possibility of [1,5] Sigmatropic Shifts in Bicyclo[4.2.0]octa-2,4-dienes

Authors

Goossens H.; Winne J. M.; Wouters S.; Hermosilla L.; De Clercq P. J.; Waroquier M.; Van Speybroeck V.; Catak S.

Journal of Organic Chemistry 2015. 80(5): 2609 - 2620.

http://dx.doi.org/10.1021/jo5027639

[A1 Publication] Accelerated living cationic ring-opening polymerization of a methyl ester functionalized 2-oxazoline monomer

Authors

Bouten P. J. M.; Hertsen D.; Vergaelen M.; Monnery B.; Boerman M. A.; Goossens H.; Catak S.; van Hest J. C. M.; Van Speybroeck V.; Hoogenboom R.

Polymer Chemistry 2015. 6(4): 514 - 518.

http://dx.doi.org/10.1039/C4PY01373E

2014

[A1 Publication] Triazolinediones enabling ultrafast and reversible click chemistry for facile design of healable and reshapable polymers

Authors

Billiet S.; De Bruycker K.; Driessen F.; Goossens H.; Van Speybroeck V.; Winne J.; Du Prez F.

Nature Chemistry 2014. 6(9): 815 - 821. IF: 25.325 3/157 [Q1]

http://dx.doi.org/10.1038/nchem.2023

[A1 Publication] Nucleophile-Dependent Regio- and Stereoselective Ring Opening of 1-Azoniabicyclo-[3.1.0]hexane Tosylate

Authors

Ji M.-K.; Hertsen D.; Yoon D.-H.; Eum H.; Goossens H.; Waroquier M.; Van Speybroeck V.; D'Hooghe M.; De Kimpe N.; Ha H.-J.

Chemistry - An Asian Journal 2014. 9(4): 1060 - 1067. IF: 4.587 26/157 [Q1]

http://dx.doi.org/10.1002/asia.201301551

2013

[A1 Publication] Cationic ring-opening polymerization of 2-propyl-2-oxazolines: Understanding structural effects on polymerization behavior based on molecular modeling

Authors

Goossens H.; Catak S.; Glassner M.; De La Rosa V.; Monnery B.; De Proft F.; Van Speybroeck V.; Hoogenboom R.

ACS Macro Letters 2013. 2(8): 651 - 654.

http://dx.doi.org/10.1021/mz400293y

[A1 Publication] Synthesis of 2-Hydroxy-1,4-oxazin-3-ones through Ring Transformation of 3-Hydroxy-4-(1,2-dihydroxyethyl)--lactams and a Study of Their Reactivity

Authors

Mollet K.; Goossens H.; Piens N.; Catak S.; Waroquier M.; Van Speybroeck V.; D'Hooghe M.; De Kimpe N.

Chemistry-A European Journal 2013. 19(10): 3383 - 3396. IF: 3.7 95/239 [Q2]

http://dx.doi.org/10.1002/chem.201203314

2012

[A1 Publication] Solvent-controlled selective transformation of 2-Bromomethyl-2-methylaziridines to functionalized aziridines and azetidines

Authors

Stankovic S.; Goossens H.; Catak S.; Tezcan M.; Waroquier M.; Van Speybroeck V.; D'Hooghe M.; De Kimpe N.

Journal of Organic Chemistry 2012. 77(7): 3181 - 3190.

http://dx.doi.org/10.1021/jo202637a

2011

[A1 Publication] Reactivity of Activated versus Nonactivated 2-(Bromomethyl)aziridines with respect to Sodium Methoxide: a Combined Computational and Experimental Study

Authors

Goossens H.; Vervisch K.; Catak S.; Stankovic S.; D'Hooghe M.; De Proft F.; Geerlings P.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

Journal of Organic Chemistry 2011. 76(21): 8698 - 8709.

http://dx.doi.org/10.1021/jo201255z

[A1 Publication] Synthesis of 3-Methoxyazetidines via an Aziridine to Azetidine Rearrangement and Theoretical Rationalization of the Reaction Mechanism

Authors

Stankovic S.; Catak S.; D'Hooghe M.; Goossens H.; Abbaspour Tehrani K.; Bogaert P.; Waroquier M.; Van Speybroeck V.; De Kimpe N.

Journal of Organic Chemistry 2011. 76(7): 2157 - 2167.

http://dx.doi.org/10.1021/jo102555r

Other publications

Books [B1/B2/B3]

Book chapter

[Book chapter] Reactivity of Aziridinium Salts in Different Solvents Unraveled by a Combined Theoretical and Experimental Approach

Goossens H.; Hertsen D.; Mollet K.; Catak S.; D'Hooghe M.; De Proft F.; Geerlings P.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

In Structure, Bonding and Reactivity of Heterocyclic Compounds, Springer, 2014. 1 - 34. ISBN/ISSN: 978-3-642-45148-5

Dissertations [MSc and PhD]

PhD thesis

2017

[PhD Thesis] Unraveling Reaction Mechanisms of Chemical Reactions in Solvents Using Advanced Molecular Modeling Tools

Authors

Goossens H.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. Saron Catak

PhD, 19/05/2017.

Master thesis

2010

[MSc Thesis] Inzicht in de vorming van 3-methoxy-3-methylazetidinen: Rationalisering van het reactiemechanisme via kwantummechanische berekeningen

Authors

Goossens H.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. ir.

De Kimpe N.

Master of Science in Bioscience Engineering: Chemistry and Bioprocess Technology, 2010.

Talks

2016

[Talk] The CROP reaction of 2-oxazolines in silico

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.; Catak S.

Macro 2016, Istanbul, TR, 17/07/2016 - 21/07/2016

2014

[Talk] Thermal Equilibration of Endiandric Acids and the [1,5] Sigmatropic Shift in Bicyclo[4.2.0]octa-2,4-dienes

Authors

Goossens H.; Winne J.; Wouters S.; De Clercq P. J.; Waroquier M.; Van Speybroeck V.; Catak S.

MOLCHEM2014, Istanbul, TR, 19/12/2014

[Talk] Triazolinediones enabling click and transclick reactions

Authors

Goossens H.; Billiet S.; De Bruycker K.; Driessen F.; Winne J. M.; Du Prez F.; Van Speybroeck V.

WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems, Concepción, CL, 05/10/2014 - 10/10/2014

[Talk] Triazolinediones enable ultrafast and reversible click chemistry for the design of dynamic polymer systems

Authors

Billiet S.; Goossens H.

IAP P 07/05 annual scientific meeting, Louvain-la-Neuve, BE, 19/09/2014

[Talk] Click/transclick reactions in combination with CRP: 'TAD's the spirit'

Authors

Du Prez F.; Billiet S.; De Bruycker K.; Driessen F.; Goossens H.; Van Speybroeck V.; Winne J.

248th National Meeting of the American-Chemical-Society (ACS 2014), San Francisco, US, 10/08/2014 - 14/08/2014

[Talk] Cationic ring-opening polymerization of 2-propyl-2-oxazolines: understanding structural effects on polymerization behavior based on molecular modeling

Authors

Glassner M.; Goossens H.; Catak S.; De La Rosa V.; Monnery B.; De Proft F.; Van Speybroeck V.; Hoogenboom R.

248th National Meeting of the American-Chemical-Society (ACS 2014), San Francisco, US, 10/08/2014 - 14/08/2014

[Talk] Towards better drug delivery systems: Theoretical calculations on the cationic ring-opening polymerization of poly(2-oxazoline)s

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.

12th Chemistry Conference for Young Scientists (ChemCys 2014), Blankenberge, BE, 27/02/2014 - 28/02/2014

[Talk] Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity

Authors

Piens N.; Mollet K.; Goossens H.; Catak S.; Waroquier M.; Törnroos K.; Van Speybroeck V.; De Kimpe N.; D'Hooghe M.

12th Chemistry Conference for Young Scientists (ChemCys 2014), Blankenberge, BE, 27/02/2014 - 28/02/2014

2013

[Talk] Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity

Authors

Piens N.; Mollet K.; Goossens H.; Catak S.; Waroquier M.; Törnroos K.; Van Speybroeck V.; De Kimpe N.; D'Hooghe M.

17th Sigma-Aldrich Organic Synthesis Meeting, Blankenberge, BE, 05/12/2013 - 06/12/2013

2012

[Talk] Chemistry: Theory meets Experiment

Authors

Goossens H.

13th FEA PhD Symposium, Ghent, BE, 05/12/2012

Posters

2016

[Poster] The cationic ring opening of 2-oxazolines: a theoretical rationalisation

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Catak S.; Van Speybroeck V.

Chemical Research in Flanders Symposium, Blankenberge, BE, 24/10/2016 - 26/10/2016

2014

[Poster] Theoretical Rationalization of the Propagation Rate Order of 2-Methyl-2-oxazoline and a Methyl Ester Functionalized 2-Oxazoline in Cationic Ring-opening Polymerizations

Authors

Hertsen D.; Catak S.; Goossens H.; Bouten P. J. M.; Monnery B.; Van Speybroeck V.; Hoogenboom R.

Chemical Physics Congress-IX, Cesme, TR, 14/10/2010 - 16/10/2010

[Poster] Theoretical Rationalization of the Cationic Ring-opening Polymerization of a Methyl Ester Functionalized 2-Oxazoline Monomer

Authors

Hertsen D.; Goossens H.; Catak S.; Bouten P. J. M.; Vergaelen M.; Monnery B.; van Hest J. C. M.; Hoogenboom R.; Van Speybroeck V.

Annual IAP Meeting (P7/05), Louvain-la-Neuve, BE, 19/09/2014

2013

[Poster] Triazolinediones for Irreversible and Reversible Linking in polymers: Theoretical Rationalization

Authors

Goossens H.; Billiet S.; De Bruycker K.; Driessen F.; Winne J.; Du Prez F.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Towards Better Drug Delivery Systems: Theoretical Calculations on the Cationic Ring-opening Polymerization of Poly(2-oxazoline)s

Authors

Hertsen D.; Goossens H.; Hoogenboom R.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Computational Rationalization of the Ring Transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams

Authors

Goossens H.; Catak S.; Mollet K.; Piens N.; D'Hooghe M.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

44th IUPAC World Chemistry Congress, Istanbul, TR, 11/08/2013 - 16/08/2013

[Poster] DFT calculations on Aziridines within the supermolecule approach

Authors

Goossens H.; Catak S.; Stankovic S.; D'Hooghe M.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

Molsim 2013, Amsterdam, NL, 07/01/2013 - 18/01/2013

2012

[Poster] DFT calculations on Aziridines within the supermolecule approach

Authors

Goossens H.; Catak S.; Stankovic S.; D'Hooghe M.; De Kimpe N.; Waroquier M.; Van Speybroeck V.

Theory and Applications of Comoutational Chemistry (TACC-2012), Pavia, IT, 02/09/2012

[Poster] Selective Transformation of 2-Halomethyl-2-Methylaziridines to Functionalized Aziridines and Azetidines

Authors

Stankovic S.; D'Hooghe M.; Catak S.; Goossens H.; Waroquier M.; Van Speybroeck V.; Abbaspour Tehrani K.; De Kimpe N.

13th Belgian Organic Synthesis Symposium (BOSS XIII), Leuven, BE, 15/07/2012 - 20/07/2012

2011

[Poster] Selective Transformation of 2-Bromomethyl-2-Methylaziridines to Functionalized Aziridines and Azetidines

Authors

Stankovic S.; D'Hooghe M.; Catak S.; Goossens H.; Waroquier M.; Van Speybroeck V.; Abbaspour Tehrani K.; De Kimpe N.

15th Sigma-Aldrich Organic Synthesis Meeting (2011), Spa, BE, 01/12/2011 - 02/12/2011

[Poster] Reactivity of Three-membered Heterocyclic Rings with respect to Sodium Methoxide

Authors

Goossens H.; Catak S.; De Proft F.; Geerlings P.; Waroquier M.; Van Speybroeck V.

14th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2011), Athens, GR, 29/08/2011 - 02/09/2011