A decomposition study of the EPR spectrum of irradiated sucrose

Vanhaelewyn, Gauthier; Sadło, Jarosław; Callens, Freddy; Mondelaers, W.; Frenne, D. De; Matthys, Paul

doi:10.1016/s0969-8043(00)00075-0

Cited by 62 publications

(53 citation statements)

References 8 publications

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“…The latter spectra are only obtained after keeping the irradiated crystal for several hours at RT. An initial characterization of the metastable stage immediately after RT irradiation [51], in which EPR and FF-ENDOR were combined with statistical EPR spectrum decomposition based on Maximum Likelihood Common Factor Analysis (MLCFA [6,114]), revealed that i) the final stable radicals (see Section 6.4.5) are already present immediately after irradiation at RT or 273 K.…”

Section: Immediately After Rt Irradiationmentioning

confidence: 99%

“…Using ENDOR at RT, Sagstuen et al were able to characterize two distinct radical types [5]. MLCFA decomposition of RT X-band powder EPR spectra in a dose series, on the other hand, revealed three dominant contributions with distinct dose responses [6]. ENDOR studies at low temperature (55 K [6] and 110 K [55]) of crystals irradiated at RT allowed to distinguish, indeed, three types of radicals, labeled T1-T3, all exhibiting one large and two small proton HF couplings.…”

Section: Final Stable Stagementioning

confidence: 99%

“…The structure of radiation-induced radicals in solid state sucrose has been studied with electron magnetic resonance (EMR) techniques since the early 1960's [1][2][3][4][5][6][7]. However, only some five years ago the identity of three radicals, dominating the room temperature (RT) stable electron paramagnetic resonance (EPR) spectrum, was convincingly established [8,9].…”

Section: Introduction and Motivation Of The Studymentioning

confidence: 99%

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Radiation Chemistry of Solid-State Carbohydrates Using EMR

Vrielinck

Cooman

Callens

et al. 2014

Applications of EPR in Radiation Research

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We review our research of the past decade towards identification of radiation-induced radicals in solid state sugars and sugar phosphates. Detailed models of the radical structures are obtained by combining EPR and ENDOR experiments with DFT calculations of g and proton HF tensors, with agreement in their anisotropy serving as most important criterion. Symmetry-related and Schonland ambiguities, which may hamper such identification, are reviewed. Thermally induced transformations of initial radiation damage into more stable radicals can also be monitored in the EPR (and ENDOR) experiments and in principle provide information on stable radical formation mechanisms. Thermal annealing experiments reveal, however, that radical recombination and/or diamagnetic radiation damage is also quite important. Analysis strategies are illustrated with research on sucrose. Results on dipotassium glucose-1-phosphate and trehalose dihydrate, fructose and sorbose are also briefly discussed. Our study demonstrates that radiation damage is strongly regio-selective and that certain general principles govern the stable radical formation.

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Section: Immediately After Rt Irradiationmentioning

confidence: 99%

Section: Final Stable Stagementioning

confidence: 99%

Section: Introduction and Motivation Of The Studymentioning

confidence: 99%

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Radiation Chemistry of Solid-State Carbohydrates Using EMR

Vrielinck

Cooman

Callens

et al. 2014

Applications of EPR in Radiation Research

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“…Studies on the fundamental and practical aspects of sucrose radicals have been made by various research groups [2][3][4][5][6][7][8][9][10]. EPR investigations of irradiated monosaccharides showed multi-radical productions [2][3][4][5].…”

Section: Introductionmentioning

confidence: 99%

“…Multi-radical productions were also experimentally proved by Nakagawa and co-workers [6]. The detailed structures of fructose radicals were further investigated by DFT (density functional theory) [3]. An original EPR investigation of sucrose irradiated with heavy ions showed that the radical yields (sucrose radicals) correlated with the logarithmic LET (linear energy transfer) [7][8][9][10][11].…”

Section: Introductionmentioning

confidence: 99%

Sucrose radical-production cross-section regarding heavy-ion irradiation

Nakagawa

Ikota²,

Anzai³

2008

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Abstract:We investigated the sucrose radical-production cross section induced by heavyion irradiation. L-alanine was also used in order to compare radical yield and cross section.The stable free radicals after irradiation were analyzed by EPR (electron paramagnetic resonance). The radical yield obtained by the irradiated samples had a logarithmic correlation with the LET (linear energy transfer). Quantitative EPR analyses showed that radical productions for sucrose and L-alanine vary both by different particle irradiation and the LET under the same absorbed dose. Furthermore, the cross sections of radical productions for samples were calculated. Both cross sections for C ions irradiation under

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DFT‐EPR study of radiation‐induced radicals in α‐D‐glucose

Pauwels¹,

Speybroeck²,

Vanhaelewyn³

et al. 2004

Int J of Quantum Chemistry

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ABSTRACT:The structures of two radiation-induced radicals in solid-state ␣-dglucose have been identified by means of single-molecule density function theory (DFT) calculations. Using the original crystalline structure as input, several radical models were created and their geometries optimized. Subsequently, electron paramagnetic resonance (EPR) parameters were calculated. During these calculations, the global orientation of the radical structure was kept fixed with respect to the crystal axes reference frame. This was essential to allow for an easy analysis of the hyperfine tensor principal directions, besides the isotropic and anisotropic coupling constants. By comparing these calculated EPR parameters with their experimentally determined counterparts, a plausible identification of two carbon-centered glucose radicals was possible.

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A decomposition study of the EPR spectrum of irradiated sucrose

Cited by 62 publications

References 8 publications

Radiation Chemistry of Solid-State Carbohydrates Using EMR

Radiation Chemistry of Solid-State Carbohydrates Using EMR

Sucrose radical-production cross-section regarding heavy-ion irradiation

DFT‐EPR study of radiation‐induced radicals in α‐D‐glucose

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