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

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
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

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
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

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, Wed, 23/06/2010 to Sat, 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), Tue, 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, Sat, 15/05/2010 to Wed, 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, Sun, 06/09/2009 to Fri, 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, Thu, 11/06/2009 to Thu, 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, Sun, 19/04/2009 to Thu, 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, Fri, 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, Mon, 01/09/2008 to Thu, 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, Sun, 24/08/2008 to Fri, 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, Thu, 07/06/2007 to Thu, 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, Tue, 31/05/2005 to Fri, 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, Sat, 15/05/2010 to Wed, 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, Tue, 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, Sun, 06/09/2009 to Fri, 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, Mon, 31/08/2009 to Fri, 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, Fri, 28/08/2009 to Wed, 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, Sun, 06/07/2008 to Fri, 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, Fri, 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, Fri, 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, Tue, 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, Sun, 25/03/2007 to Thu, 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, Sun, 02/04/2006 to Wed, 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, Thu, 29/09/2005 to Sun, 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