10,598 research outputs found
Ar-40-Ar-39 plateau ages of biotite and amphibole from tonalite of Huangling granitoids and their cooling curve.
Postnatal exposure of 2,2’,3,3’,4,6’- hexachlorobiphenyl and 2,2’,3,4’,5’,6-hexachlorobiphenyl on sperm function and hormone levels in adult rats.
Effects of acute postnatal exposure to 3,3’,4,4’-tetrachlorobiphenyl on sperm function and hormone levels in adult rats.
Hepatic enzyme induction and acute endocrine effects of 2,2’,3,3’,4,6’-hexachlorobiphenyl and 2,2’,3,4’,5’,6-hexachlorobiphenyl in prepubertal female rats.
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Influence of diluent alkyl substitution on the extraction of Am(III) and Eu(III) by a 6,6’-bis(1,2,4-triazin-3-yl)-2,2’-bipyridine ligand dissolved in alkylated cyclohexanone Diluents
Several alkylated cyclohexanones were investigated as potential diluents for the selective extraction of Am(III) from Eu(III) from nitric acid solutions by the CyMe4-BTBP ligand. No significant extraction of either of the metal ions was observed for these diluents themselves. In the extractions from 1 M HNO3, 3-methylcyclohexanone and 4-methylcyclohexanone gave comparable results to cyclohexanone whereas in the extractions from 4 M HNO3, 2-methylcyclohexanone, 3-methylcyclohexanone and 4-methylcyclohexanone all gave superior results. For the monomethylated diluents, DAm and SFAm/Eu decreased in the order of alkyl substitution 2 > 4 ~ 3. However, alkyl substitution of cyclohexanone significantly slows down the extraction kinetics compared to cyclohexanone, and the position of alkyl substitution was found to play an important role in the solvents properties. 3-Methylcyclohexanone was identified as the most promising of the diluent
Solvation effect on photophysical properties and ESIPT behaviours for 2-benzooxazol-2-yl-6-thiophen-2-yl-phenol fluorophore: a theoretical study
Inspired by its potential applications of organic luminescence and fluorescence probe materials for 2-(2′-hydroxyphenyl)benzazoles (HBX) derivatives, this study mainly investigates the excited-state behaviours of a novel 2-benzooxazol-2-yl-6-thiophen-2-yl-phenol (BYTYP) fluorophore. Theoretical exploration has been conducted on the solvent-dependent interactions of excited-state intramolecular hydrogen bonding and the process of excited-state intramolecular proton transfer (ESIPT) for BYTYP. By combining optimised geometrical modifications, infrared (IR) vibrational spectra and the core-valence bifurcation (CVB) index, hydrogen bonding strengthening can be confirmed. Predicting the bond energy (EHB), we assert that nonpolar solvents are more conducive to enhancing hydrogen bonding interactions. The ESIPT tendency of BYTYP is further elucidated by charge reorganisation resulting from photoexcitation. By exploring potential energy surfaces (PESs) and identifying transition states (TS), we have uncovered the solvent-polarity-controlled ESIPT behaviours. We hope these insights into excited-state dynamics will facilitate the design and development of novel fluorescent sensors in future.</p
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Multi-Faceted Roles of Lithium Metal in Batteries and Beyond
Electrochemical energy conversion and storage is critical for advancing vehicle electrification and sustainability of essential commodity chemicals. In pursuit of these goals, I delved progressively deeper into the foundational research of batteries and beyond: (1) pioneering novel methodologies to fundamentally understand lithium (Li) metal deposition, (2) regulating electrolyte decomposition to enhance Li metal batteries (LMBs) performance, and (3) expanding the technology’s applicability to make impact beyond batteries.I have revealed the intrinsic morphology of electrodeposited Li metal to be a non-dendritic rhombic dodecahedron, which defies conventional expectations yet aligns with the theoretical prediction. Li deposition is a process in which Li-ions are reduced to metallic form at the electrode, which plays a crucial role for LMBs, because the reversibility of deposition morphology directly determines the cycling performance and safety of the battery. However, the simultaneous formation of a surface corrosion film termed the solid electrolyte interphase (SEI) complicates the deposition process, which underpins our poor understanding of Li metal electrodeposition. I creatively integrated the classical electrochemical method, ultramicroelectrode geometry, and an emerging electron microscopy technique, cryogenic electron microscopy (cryo-EM), to decouple Li deposition from the SEI growth and capture the corresponding nanostructure of Li. This discovery has significant implications for LMBs, as it suggests SEI influence can be effectively mitigated to achieve desired deposition morphologies. Besides enhancing our understanding of Li deposition, this work opens new opportunities to explore how reactive metal deposition fundamentally proceeds without the influence of corrosion film, thereby regulating reversibility of metal deposition to optimize the performance of metal batteries.In addition to deposition morphology, the properties of the SEI also influence the performance of LMBs, as the SEI governs the transportation of Li-ion during cycling. Since the SEI formation results from electrolyte decomposition influenced by electric fields, I systematically examined effects of both electrolyte decomposition and electric fields on SEI formation, progressing from the bulk electrolyte to the electrode surface. I worked with colleagues to quantify reactions driving SEI formation and to determine the decomposition rates of individual electrolyte components, which guided our efforts to design and regulate their decomposition. Furthermore, I emphasized the importance of electric field to further fine-tune the formation of favorable SEI to improve battery performance. Looking beyond applications of Li metal in batteries, I worked with collaborators to leverage the wealth of battery knowledge and established strategies to investigate fundamental aspects of Li metal as electrocatalyst in electrifying ammonia synthesis to help decarbonize the traditional chemical industry. We revealed key driver behind surface phenomena is the rupture of the SEI, enabling nitrogen and electrolyte to penetrate and react with Li metal to make ammonia. The insights from this work expanded our perspective of how Li metal electrodeposition can decarbonize chemical synthesis and inform our future efforts in designing better LMBs as well
Access to Isoquinolin-2(1<i>H</i>)‑yl-acetamides and Isoindolin-2-yl-acetamides from a Common MCR Precursor
We achieved a divergent synthesis of isoquinolin-2(1H)-yl-acetamides (16 examples, up to 90% yields) and regioselective
isoindolin-2-yl-acetamides (14 examples, up to 93% yields) in moderate
to good yields by reacting various substituted ethanones or terminal
alkynes with Ugi-4CR intermediates via an ammonia-Ugi-4CR/Copper(I)-catalyzed
annulation sequence reaction. The same intermediate thus gives 2D
distant but 3D closely related scaffolds, which can be of high interest
in exploiting chemistry space on a receptor. The scopes and limitations
of these efficient sequence reactions are described, as well as gram-scale
synthesis
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