Understanding the dosimetric powder EPR spectrum of sucrose by identification of the stable radiation-induced radicals.

Sucrose, the main component of table sugar, present in nearly every household and quite radiation sensitive, is considered as an interesting emergency dosemeter. Another application of radiation-induced radicals in sugars is the detection of irradiation in sugar-containing foodstuffs. The complexity of electron paramagnetic resonance (EPR) spectra of radicals in these materials, as a result of many hyperfine interactions and the multi-compositeness of the spectra of individual sugars, complicate dose assessment and the improvement of protocols for control and identification of irradiated sugar-containing foodstuffs using EPR.

Room temperature Q-band electron magnetic resonance study of radicals in X-ray-irradiated l-threonine single crystals.

In the past, decennia radiation-induced radicals were successfully identified by electron magnetic resonance (EMR) in several solid-state amino acids and sugars. The authors present a room temperature (RT) EMR study of the stable radicals produced by X-ray-irradiation in the amino acid l-threonine (CH₃CH(OH)CH(NH₃ (+))COO(-)). Its chemical structure is similar to that of the well-known dosimetric material l-alanine (CH₃CH(NH₃(+))COO(-)), and radiation defects in l-threonine may straightforwardly be compared with the extensively studied l-alanine radicals.

Synthesis, characterization and sorption properties of NH2-MIL-47.

An amino functionalized vanadium-containing Metal Organic Framework, NH(2)-MIL-47, has been synthesized by a hydrothermal reaction in an autoclave. Alternatively, a synthesis route via microwave enhanced irradiation has been optimized to accelerate the synthesis. The NH(2)-MIL-47 exhibits the same topology as MIL-47, in which the V center is octahedrally coordinated.

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.

Electron magnetic resonance analysis of radiation-induced defects in dipotassium glucose-1-phosphate dihydrate single crystals in situ X-irradiated and measured at 77 K shows that at least seven different carbon-centered radical species are trapped. Four of these (R1-R4) can be fully or partly characterized in terms of proton hyperfine coupling tensors. The dominant radical (R2) is identified as a C1-centered species, assumedly formed by a scission of the sugar-phosphate junction and the concerted formation of a carbonyl group at the neighboring C2 carbon.

Radiation-induced radicals in glucose-1-phosphate. II. DFT analysis of structures and possible formation mechanisms.

Four radiation-induced carbon-centered radicals in dipotassium glucose-1-phosphate dihydrate single crystals are examined with DFT methods, consistently relying on a periodic computational scheme. Starting from a set of plausible radical models, EPR hyperfine coupling tensors are calculated for optimized structures and compared with data obtained from EPR/ENDOR measurements, which are described in part I of this work. In this way, an independent structural identification is made of all the radicals that were observed in the experiments (R1-R4) and tentative reaction schemes are proposed.