Dr. Hendrik De Cooman

A1 publications

2014

Solved? The reductive radiation chemistry of alanine , E. Pauwels, H. De Cooman, M. Waroquier, E. Hole, E. Sagstuen , Physial Chemistry Chemical Physics , 16(6), 2475-2482 , 2014 , IF: 3.829 , 6/34 [Q1]

2013

Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum , H. De Cooman, J. Keysabyl, J. Kusakovskij, A. Van Yperen-De Deyne, M. Waroquier, F. Callens, H. Vrielinck , Journal of Physical Chemistry B , 117 (24), 7169–7178 , 2013 , IF: 3.607 , 34/134 [Q2]
Room Temperature Radiation Products in Trehalose Single Crystals: EMR and DFT analysis , H. De Cooman, M. Tarpan, H. Vrielinck, M. Waroquier, F. Callens , Radiation Research , 179 (3), 313-322 , 2013 , IF: 2.698 , 19/83 [Q1]
Structural specificity of alkoxy radical formation in crystalline carbohydrates , S.G. Aalbergsjø, E. Pauwels, H. De Cooman, E.O. Hole, E. Sagstuen , Physical Chemistry Chemical Physics (PCCP) , 15(24), 9615-9619 , 2013 , IF: 3.829 , 6/34 [Q1]

2012

Radiation Products at 77 K in Trehalose Single Crystals: EMR and DFT Analysis , M. Tarpan, H. De Cooman, E. Hole, M. Waroquier, F. Callens , Journal of Physical Chemistry A , 116 (13), 3377-3387 , 2012 , IF: 2.771 , 10/34 [Q2]

2011

Identification of primary free radicals in trehalose dihydrate single crystals X-irradiated at 10 K , M.A. Tarpan, H. De Cooman, E. Sagstuen, M. Waroquier, F. Callens , Physical Chemistry Chemical Physics (PCCP) , 13, 11294-11302 , 2011 , IF: 3.573 , 5/32 [Q1]

2010

Oxidation and Reduction Products of X Irradiation at 10 K in Sucrose Single Crystals: Radical Identification by EPR, ENDOR, and DFT , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , Journal of Physical Chemistry B , 114 (1), 666–674 , 2010 , IF: 3.603 , 32/127 [Q2]
On the identity of the radiation-induced stable alanine radical , E. Pauwels, H. De Cooman, M. Waroquier, E.O. Hole, E. Sagstuen , Physical Chemistry Chemical Physics (PCCP) , 12, 8733-8736 , 2010 , IF: 3.454 , 5/33 [Q1]
Dosimetric characteristics of different types of saccharides: An EPR and UV spectrometric study , Y. Karakirova, N.D. Yordanov, H. De Cooman, H. Vrielinck, F. Callens , Radiation Physics and Chemistry , 79 (5), 654-659 , 2010 , IF: 1.132 , 94/127 [Q3]

2009

Early-Stage Evolution of the EPR Spectrum of Crystalline Sucrose at Room Temperature after High-Dose X Irradiation , H. Vrielinck, H. De Cooman, Y. Karakirova, N.D. Yordanov, F. Callens , Radiation Research , 172 (2), 226-233 , 2009 , IF: 2.948
ENDOR and HYSCORE analysis and DFT-assisted identification of the third major stable radical in sucrose single crystals X-irradiated at room temperature , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, S. Van Doorslaer, F. Callens, M. Waroquier , Physical Chemistry Chemical Physics (PCCP) , 11 (7), 1105-1114 , 2009 , IF: 4.116
Determination of the g Tensors for the Dominant Stable Radicals in X-Irradiated β-d-Fructose Single Crystals , M.A. Tarpan, H. Vrielinck, H. De Cooman, F. Callens , Journal of Physical Chemistry A , 113 (28), 7994-8000 , 2009 , IF: 2.899

2008

Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, F. Callens, M. Waroquier , Journal of Physical Chemistry A , 112 (24), 7298-7307 , 2008
Radiation-induced defects in sucrose single crystals, revisited: A combined electron magnetic resonance and density functional theory study , H. De Cooman, E. Pauwels, H. Vrielinck, A. Dimitrova, N.D. Yordanov, E. Sagstuen, M. Waroquier, F. Callens , Spectrochimica Acta Part A (Mol. & biomol.) , 69 (5), 1372-1383 , 2008
Schonland ambiguity in the electron nuclear double resonance analysis of hyperfine interactions: Principles and practice , H. Vrielinck, H. De Cooman, M.A. Tarpan, E. Sagstuen, M. Waroquier, F. Callens , Journal of Magnetic Resonance , 195 (2), 196-205 , 2008
Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms , E. Pauwels, H. De Cooman, G. Vanhaelewyn, E. Sagstuen, F. Callens, M. Waroquier , Journal of Physical Chemistry B , 112 (47), 15054-15063 , 2008
Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: vibrational analysis and comparison with EPR experiments , E. Pauwels, T. Verstraelen, H. De Cooman, V. Van Speybroeck, M. Waroquier , Journal of Physical Chemistry B , 112 (25), 7618-7630 , 2008 , IF: 4.189 , [Q1]
Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K , H. De Cooman, G. Vanhaelewyn, E. Pauwels, E. Sagstuen, M. Waroquier , Journal of Physical Chemistry B , 112 (47), 15045-15053 , 2008

2007

EPR and ENDOR analysis of Fe3+ impurity centers in fluoroelpasolite lattices , F. Loncke, H. De Cooman, N.M. Khaidukov, H. Vrielinck, E. Goovaerts, P. Matthys, F. Callens , Physical Chemistry Chemical Physics (PCCP) , 9 (39), 5320-5329 , 2007

A2 publications

P1 publications

Invited talks

Talks

2010

DFT and TDDFT studies of deprotonation from oxygen in rhamnose cations , S.G. Aalbergsjø, H. De Cooman, E. Sagstuen, E. Pauwels , Quantum Chemistry beyond the Arctic Circle , Sommarøy-Tromsø, Norway , wo, 23/06/2010 tot za, 26/06/2010
Electron magnetic resonance study of primary free radicals in trehalose single crystals , M.A. Tarpan, H. De Cooman, E. Sagstuen, F. Callens , 18th Meeting of the Benelux EPR Society , Brussels (Belgium) , di, 01/06/2010
Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT (invited talk) , H. De Cooman, M.A. Tarpan, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , The 11th International Workshop on Radiation Damage to DNA , Atlanta, Georgia, USA , za, 15/05/2010 tot wo, 19/05/2010

2009

Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study , H. De Cooman, H. Vrielinck, E. Pauwels, E. Sagstuen, M. Waroquier, F. Callens , 7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15 , Antwerp, Belgium , zo, 06/09/2009 tot vr, 11/09/2009
Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results (Invited talk) , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , 11th International Workshop on Electron Magnetic Resonance Of Disordered Systems (EMARDIS) , Sofia-Boyana, Bulgaria , do, 11/06/2009 tot do, 18/06/2009
ENDOR in field-frequency space: orientation, species and quantum state selection , H. Vrielinck, F. Loncke, M.A. Tarpan, H. De Cooman, D. Zverev, F. Callens , 42nd Annual Meeting of the Electron Spin Resonance group of the Royal Society of Chemistry , Norwich, UK , zo, 19/04/2009 tot do, 23/04/2009

2008

Identifying radiation-induced radicals and their formation mechanisms in sugars and sugar derivatives using DFT methods , H. De Cooman, E. Pauwels, H. Vrielinck, F. Callens, M. Waroquier , Symposium DFT in Chile and Flanders , VUB, Brussels , vr, 28/11/2008
Radicals in Sucrose Single Crystals Induced by X-rays at Different Temperatures: a Combined EPR and DFT Study (1st prize Young Investigator Award, ERR 2008) , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , ERR 2008 congres (The 36th annual meeting of the European Radiation Research) , Tours, France , ma, 01/09/2008 tot do, 04/09/2008
Field-frequency ENDOR spectroscopy of paramagnetic defects in insulating materials , H. Vrielinck, F. Loncke, H. De Cooman, M.A. Tarpan, D. Zverev, P. Matthys, F. Callens , 16th International Conference on Defects in Insulating Materials (ICDIM) 2008 , Aracaju, Brazil , zo, 24/08/2008 tot vr, 29/08/2008

2007

Tentative Models for Radiation-Induced Defects in Sucrose Single Crystals at Room Temperature: a Combined EMR and DFT study , H. De Cooman, A. Dimitrova, E. Pauwels, H. Vrielinck, E. Sagstuen, N.D. Yordanov, M. Waroquier, F. Callens , 10th International Workshop on Electron Magnetic Resonance Of Disordered Systems , Sofia, Bulgaria , do, 07/06/2007 tot do, 14/06/2007

2005

Probing interactions between rare-earth ions in a Cs2NaY1-xErxF6 concentration series, a model system for wide-bandgap solids , H. Vrielinck, I. Izeddin, T. Gregorkiewicz, H. De Cooman, F. Loncke, F. Callens, J. Lauwaert, P. Clauws , E-MRS 2005 Spring Meeting , Strasbourg, France , di, 31/05/2005 tot vr, 03/06/2005

Posters

2010

Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT , H. De Cooman, M.A. Tarpan, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , The 11th International Workshop on Radiation Damage to DNA , Atlanta, Georgia, USA , za, 15/05/2010 tot wo, 19/05/2010
Which role do excited states play in radiation damage to organic solid-state compounds? , H. De Cooman, S.G. Aalbergsjø, E. Pauwels, E. Sagstuen, E.O. Hole, F. Callens, M. Waroquier , Quantum Chemistry in Belgium 9th edition , Louvain-la-Neuve, Belgium , di, 26/01/2010

2009

Electron Magnetic Resonance study of the Structure and Thermal Stability of Radiation-Induced Free Radicals in Trehalose Single Crystals , M.A. Tarpan, G. Scheir, H. De Cooman, H. Vrielinck, F. Callens , 7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15 , Antwerp, Belgium , zo, 06/09/2009 tot vr, 11/09/2009
Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, F. Callens, M. Waroquier , 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09) , Lyon, France , ma, 31/08/2009 tot vr, 04/09/2009
Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals , M.A. Tarpan, H. De Cooman, H. Vrielinck, E. Pauwels, M. Waroquier, E. Sagstuen, F. Callens , European conference on the spectroscopy of biological molecules , Palermo, Italy , vr, 28/08/2009 tot wo, 02/09/2009

2008

Radicals induced in sucrose single crystals by X-irradiation: unravelling radical formation mechanisms using EMR experiments and DFT calculations , H. De Cooman, E. Pauwels, H. Vrielinck, E. Sagstuen, M. Waroquier, F. Callens , Radiation Chemistry Conference , Waterville Valley, NH, US , zo, 06/07/2008 tot vr, 11/07/2008
Schonland ambiguity in the determination of A tensors from angular dependence of ENDOR spectra: application to the stable T1 radical in sucrose single crystals , H. De Cooman, H. Vrielinck, E. Pauwels, M. Waroquier, S. Van Doorslaer, F. Callens , Benelux EPR 2008 , Leuven (Heverlee), Belgium , vr, 16/05/2008
Temperature study of a glycine radical in the solid state adopting a DFT periodic approach , E. Pauwels, T. Verstraelen, H. De Cooman, V. Van Speybroeck, M. Waroquier , QCB8 , Hasselt, Belgium , vr, 08/02/2008

2007

How do X-rays damage sugars on the molecular level ? A model study for radiation damage to the DNA sugar units , H. De Cooman, E. Pauwels, H. Vrielinck, M. Waroquier, F. Callens , Doctoral Symposium , Ghent Univeristy, Faculty of Engineering, Ghent, Belgium , di, 24/04/2007
Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single Crystals , M.A. Tarpan, H. De Cooman, H. Vrielinck, E. Pauwels, F. Callens, M. Waroquier , Electron Magnetic Resonance Study of Stable Radicals in X-Irradiated Beta-D-Fructose Single Crystals , Oxford, UK , zo, 25/03/2007 tot do, 29/03/2007

2006

ENDOR Analysis of Fe3+ Impurity Centres in Fluoroelpasolite Lattices , F. Loncke, H. Vrielinck, H. De Cooman, N.M. Khaidukov, F. Callens , 39th Annual International Meeting of the ESR Group of the Royal Society of Chemistry: Advanced Techniques and Applications of EPR , Edinburgh, Schotland , zo, 02/04/2006 tot wo, 05/04/2006

2005

Spectroscopic Study of Interactions Between Rare Earth Ions in Er-Doped Cs2NaYF6 , H. Vrielinck, I. Izeddin, F. Loncke, H. De Cooman, F. Callens, T. Gregorkiewicz , 2nd Aspect Workshop on Advanced Spectroscopy , Kazimierz Dolny, Poland , do, 29/09/2005 tot zo, 02/10/2005

Dissertations

(D1) , A combined EMR and DFT study of radiation-induced effects in surcose and glucose 1-phosphate , H. De Cooman , Supervisor(s): Prof. Dr. Freddy Callens, Prof. Dr. Michel Waroquier , 27/05/2009