A benzopyrane-fused [28]hexaphyrin, 2, was prepared by simple heating of [26]hexaphyrin 1 in acetic acid. Fused [28]hexaphyrin 2 features a molecular twist, a distinct diatropic ring current, a large HOMA value, a large negative NICS value, and a large two-photon absorption (TPA) cross section even at room temperature, all of which support the Möbius aromaticity of 2. To the best of our knowledge, 2 is the first macrocycle that acquires distinct Möbius aromaticity without any assistance from metal coordination, temperature control, or protonation.
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http://dx.doi.org/10.1021/ja902836x | DOI Listing |
Environ Pollut
January 2025
The James Hutton Institute, Craigiebuckler, Aberdeen AB15 8QH, UK; Hubei Key Laboratory of Mineral Resources Processing and Environment, School of Resources and Environmental Engineering, Wuhan University of Technology, Wuhan 430070, China. Electronic address:
This work is the first comprehensive survey of the Yangtze River, covering its origin to the estuary mouth. It focuses on the geographical and industrial factors influencing the distribution of polycyclic aromatic hydrocarbons (PAHs) in sediments, along with their contamination levels, sources, and ecological risks. The total concentrations of PAHs ranged from 2.
View Article and Find Full Text PDFJ Food Prot
January 2025
Universitat Rovira i Virgili Laboratory of Toxicology and Environmental Health, School of Medicine, 43201, Reus, Catalonia, Spain. Electronic address:
Polychlorinated diphenyl ethers (PCDEs) are a class of chlorinated aromatic compounds with structural similarities to polychlorinated biphenyls (PCBs) and polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs). Due to their physicochemical properties, PCDEs are highly resistant to degradation and tend to accumulate in soils, sediments, and aquatic organisms, making them capable of entering and persisting in the food chain. As with other persistent organic pollutants (POPs), diet represents the primary route of human exposure to PCDEs.
View Article and Find Full Text PDFJ Biol Chem
January 2025
Department of Chemistry, The University of Texas at San Antonio, Texas 78249, United States. Electronic address:
MarE, a heme-dependent enzyme, catalyzes a unique 2-oxindole-forming monooxygenation reaction from tryptophan metabolites. To elucidate its enzyme-substrate interaction mode, we present the first X-ray crystal structures of MarE in complex with its prime substrate, (2S,3S)-β-methyl-L-tryptophan and cyanide at 1.89 Å resolution as well as a truncated yet catalytically active version in complex with the substrate at 2.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
MOE Key Laboratory of Pollution Processes and Environmental Criteria, College of Environmental Science and Engineering, Nankai University, Tianjin 300350, China.
The occurrence and distribution of synthetic phenolic antioxidants (SPAs) originating from mulch film in farmland soils, along with their transformation characteristics and pathways, remain largely unknown. This study is the first to investigate nineteen SPAs and four transformation products (TPs) in farmland soils across China. In film-mulching soils, concentrations of SPAs (median, range: 83.
View Article and Find Full Text PDFNat Commun
January 2025
School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Shanghai, China.
Hydrogen-transfer is the primary process responsible for elevating the degree of unsaturation of intermediates in zeolite-catalyzed methanol-to-hydrocarbon reactions, with olefins serving as the typical receptor and alkanes being produced as the by-product. Intriguingly, the introduction of CO was shown to suppress the selectivity of alkanes and enhance the production of aromatics, yet microscopic understanding of this phenomenon remains elusive. Here, based on ab initio molecular dynamics simulations and free energy sampling methods, we discover a non-olefin-induced hydrogen-transfer reaction in the presence of CO, with ketene/acetyl emerging as a more suitable hydrogen-transfer receptor than olefins.
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