Dr. Hendrik De Cooman
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FWO postdoc (WE05-WE04) |
A1 publications
Submitted / In revision / In press
Structural specificity of alkoxy radical formation in crystalline carbohydrates, , Physical Chemistry Chemical Physics (PCCP), Submitted, 2013, IF:3.573, 5/32 [Q1]
Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum, , Journal of Physical Chemistry A, In revision, 2013, IF:2.946, 8/32 [Q2]
2013
Room Temperature Radiation Products in Trehalose Single Crystals: EMR and DFT analysis, , Radiation Research, 179 (3), 313-322, 2013, IF: 2.578, 21/86 [Q1]
2012
Radiation Products at 77 K in Trehalose Single Crystals: EMR and DFT Analysis, , Journal of Physical Chemistry A, 116 (13), 3377-3387, 2012, IF: 2.946 , 8/32 [Q2]
2011
Identification of primary free radicals in trehalose dihydrate single crystals X-irradiated at 10 K, , 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, , 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, , 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, , 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 , , 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, , 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, , Journal of Physical Chemistry A, 113 (28), 7994-8000, 2009, IF: 2.899
2008
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, , 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, , 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, , 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, , 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, , 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, , Journal of Physical Chemistry B, 112 (25), 7618-7630, 2008, IF: 4.189, [Q1]
2007
EPR and ENDOR analysis of Fe3+ impurity centers in fluoroelpasolite lattices, , Physical Chemistry Chemical Physics (PCCP), 9 (39), 5320-5329, 2007
A2 publications
P1 publications
2010
DFT and TDDFT studies of deprotonation from oxygen in rhamnose cations, , 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, , 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), , 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, , 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), , 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, , 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, , 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), , 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, , 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, , 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, , E-MRS 2005 Spring Meeting, Strasbourg, France, Tue, 31/05/2005 to Fri, 03/06/2005
2010
Direct-Effect Radiation Chemistry of Solid-State Carbohydrates Using EMR and DFT, , 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?, , 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, , 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, , 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, , 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, , 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, , 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, , 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, , 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, , 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, , 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, , 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, , Supervisor(s): Prof. Dr. Freddy Callens, Prof. Dr. Michel Waroquier, 27/05/2009