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1.
Int J Mol Sci ; 23(2)2022 Jan 14.
Article in English | MEDLINE | ID: mdl-35055062

ABSTRACT

Theoretical evaluations indicate the radiation weighting factor for thermal neutrons differs from the current International Commission on Radiological Protection (ICRP) recommended value of 2.5, which has radiation protection implications for high-energy radiotherapy, inside spacecraft, on the lunar or Martian surface, and in nuclear reactor workplaces. We examined the relative biological effectiveness (RBE) of DNA damage generated by thermal neutrons compared to gamma radiation. Whole blood was irradiated by 64 meV thermal neutrons from the National Research Universal reactor. DNA damage and erroneous DNA double-strand break repair was evaluated by dicentric chromosome assay (DCA) and cytokinesis-block micronucleus (CBMN) assay with low doses ranging 6-85 mGy. Linear dose responses were observed. Significant DNA aberration clustering was found indicative of high ionizing density radiation. When the dose contribution of both the 14N(n,p)14C and 1H(n,γ)2H capture reactions were considered, the DCA and the CBMN assays generated similar maximum RBE values of 11.3 ± 1.6 and 9.0 ± 1.1, respectively. Consequently, thermal neutron RBE is approximately four times higher than the current ICRP radiation weighting factor value of 2.5. This lends support to bimodal peaks in the quality factor for RBE neutron energy response, underlining the importance of radiological protection against thermal neutron exposures.


Subject(s)
Models, Theoretical , Neutrons , Relative Biological Effectiveness , Chromosome Aberrations/radiation effects , DNA Damage/radiation effects , Dose-Response Relationship, Radiation , Humans , Lymphocytes/metabolism , Lymphocytes/radiation effects , Micronucleus Tests/methods
2.
Inorg Chem ; 57(22): 14144-14151, 2018 Nov 19.
Article in English | MEDLINE | ID: mdl-30394733

ABSTRACT

Transition metal compounds with complex crystal structures tend to demonstrate interesting magnetic coupling resulting in unusual magnetic properties. In this work, the structural and magnetic characterization of a single crystal of the Ni-Mn-Si based G-phase compound, Mn6Ni16Si7, grown by the Czochralski method, is reported. In this structure, isolated octahedral Mn6 clusters form an fcc lattice. As each octahedron consists of eight edge-sharing equilateral triangles, the possibility for geometric frustration exists. Magnetization and specific heat measurements showed two magnetic phase transitions at 197 and 50 K, respectively. At 100 K neutron diffraction on powder samples shows a magnetic structure with k = (001) in which only four of the six Mn spins per cluster order along ⟨100⟩ directions giving a two-dimensional magnetic structure consistent with intracluster frustration. Below the 50 K phase transition, the Mn spin-cants away from ⟨100⟩ directions, and a weak moment develops on the two remaining Mn octahedral sites.

3.
Inorg Chem ; 55(24): 12897-12903, 2016 Dec 19.
Article in English | MEDLINE | ID: mdl-27989196

ABSTRACT

The crystal structure of KRuO4 is refined at both 280 and 3.5 K from neutron powder data, and magnetic properties are reported for the first time. The scheelite structure, I41/a, is confirmed at both temperatures. Atomic positions of greater accuracy than the original 1954 X-ray study are reported. The rare Ru7+ ion resides in a site of distorted tetrahedral symmetry with nominal electronic configuration 4d1(e1). Curie-Weiss parameters are near free ion values for the effective moment and θ = -77 K, indicating dominant antiferromagnetic (AF) correlations. A broad susceptibility maximum occurs near 34 K, but long-range AF order sets in only below 22.4 K as determined by magnetization and heat capacity data. The entropy loss below 50 K is only 44% of the expected R ln 2, indicating the presence of short-range spin correlations over a wide temperature range. The Ru sublattice consists of centered, corner-sharing tetrahedra which can lead to geometric frustration if both the nearest-neighbor, J1, and the next-nearest-neighbor, J2, exchange constants are AF and of similar magnitude. A spin dimer analysis finds J1/J2 ≈ 25, indicating weak frustration, and a (dz2)1 ground state. A single, weak magnetic reflection was indexed as (110). The absence of the (002) magnetic reflection places the Ru moments parallel to the c axis. The Ru7+ moment is estimated to be 0.57(7) µB, reduced from an expected value near 1 µB. A recent computational study of isostructural, isoelectronic KOsO4 predicts a surprisingly large orbital moment due to spin-orbit coupling (SOC). However, the free ion SOC constant for Ru7+ is only ∼30% that of Os7+, so it is unclear that this effect can be implicated in the low ordered moment for KRuO4. The origin of the short-range spin correlations is also not understood.

4.
Nano Lett ; 16(4): 2692-7, 2016 Apr 13.
Article in English | MEDLINE | ID: mdl-26966938

ABSTRACT

Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon-coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.


Subject(s)
Calcium/chemistry , Iron/chemistry , Lithium Compounds/chemistry , Nanoparticles/chemistry , Phosphates/chemistry , Nanoparticles/ultrastructure , Surface Properties
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