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1,3,5-Trimethyl-1,3,5-triazacyclohexane (Metach) readily complexes uranium triiodide to form (Metach)UI. The complex is soluble in THF and arenes and can function as a source of UI to form organometallic U(III) complexes. When dissolved in pyridine (py), (Metach)UI forms (Metach)UI(py). A related complex with the larger 1,4,7-trimethyl-1,4,7-triazacyclononane (Metacn) ligand, namely (Metacn)UI(THF), was synthesized for comparison. Since X-ray quality crystals of (Metach)UI can be synthesized in high yield even with small-scale reactions, the system is ideal for extension to transuranium elements. Accordingly, the neptunium and plutonium complexes (Metach)NpI and (Metach)PuI were synthesized in an analogous manner from NpI(THF) and PuI(THF), respectively.
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http://dx.doi.org/10.1021/acs.inorgchem.2c03306 | DOI Listing |
Inorg Chem
December 2024
State Key Laboratory for Mineral Deposits Research, School of Earth Sciences and Engineering, Nanjing University, Nanjing, Jiangsu 210023, China.
In this study, we employed classical molecular dynamics (CMD) and first-principles molecular dynamics (FPMD) simulations to investigate the speciation of uranyl in carbonate-rich hydrothermal solutions. The association constants (log) of uranyl carbonate complexes were derived from the potential of mean forces (PMFs) obtained from CMD simulations, and the acid constants (ps) of uranyl aqua ions were calculated using the FPMD-based vertical energy gap method. The results showed that uranyl ions could form stable mono- and bi-carbonate complexes at elevated temperatures and that uranyl aqua ions strongly hydrolyzed in neutral solutions at temperatures exceeding 473 K.
View Article and Find Full Text PDFACS Omega
December 2024
School of Earth and Environment, Anhui University of Science and Technology, Huainan 232001, P. R. China.
A strategically designed ternary nanohybrid (TNS-PDA/CNT), consisting of titanate nanosheet (TNS) and polydopamine-modified multiwalled carbon nanotube (PDA/CNT composite), was synthesized by the facile hydrothermal method and wet impregnation method for removal of U(VI) from aqueous solution and were characterized by transmission electron microscopy (TEM), scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDS), X-ray diffraction (XRD), Fourier transform infrared (FT-IR), thermogravimetric analysis (TGA), Raman spectroscopy, Brunauer-Emmett-Teller (BET), and X-ray photoelectron spectroscopy (XPS). TNSs were introduced into the PDA/CNT composite, which effectively averted the agglomeration of the CNT and further exposed more adsorption sites. PDA thin layer exposing more active sites was conducive to enhance adsorption capacity and kinetic.
View Article and Find Full Text PDFMedicine (Baltimore)
December 2024
Xiangya School of Medicine, Central South University, Changsha, China.
This study investigated the potential association between uranium exposure and mortality from cerebrovascular diseases, with a focus on the mediating effects of lipid indicators. Employing recommended sampling weights to account for National Health and Nutrition Examination Survey' complex survey design, this analysis drew from data collected between 2005 and 2016. The study examined the impact of uranium on mortality from cerebrovascular diseases using various statistical approaches, including Cox regression to assess linear relationships within metal mixtures.
View Article and Find Full Text PDFInorg Chem
December 2024
Texas Tech University, Department of Chemistry and Biochemistry, Lubbock, Texas, United States, 79401.
Uranium is most stable when it is exposed to oxygen or water in its +6 oxidation state as the uranyl (UO) ion. This ion is subsequently particularly stable and very resistant to functionalization due to the inverse trans effect. Uranyl oxo ligands are typically not considered good hydrogen bond acceptors due to their weak Lewis basicity; however, the ligands bound in the equatorial plane greatly affect the strength of the oxo ligands' hydrogen bonding.
View Article and Find Full Text PDFEnviron Sci Technol
December 2024
Center for Geomicrobiology and Biogeochemistry Research, State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences, Beijing 100083, China.
Widespread Fe-bearing clay minerals are potential materials capable of reducing and immobilizing U(VI). However, the kinetics of this process and the impact of environmental factors remain unclear. Herein, we investigated U(VI) reduction by chemically reduced nontronite (rNAu-2) in the presence of EDTA and bicarbonate.
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