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The structure of the gas-phase bimolecular complex formed between vinyl chloride and acetylene is determined using a combination of broad-band, chirped-pulse, and narrow-band, Balle-Flygare Fourier transform microwave spectroscopy from 5.8 to 20.7 GHz. Although all previous examples of complexes formed between protic acids and haloethylenes are observed to have similar modes of binding regardless of the specific identity of the acid, HF, HCl, or HCCH, the vinyl chloride-HCCH complex has HCCH located at one end of the vinyl chloride with the secondary interaction occurring with the geminal hydrogen atom as opposed to the "top" binding configuration found for vinyl chloride-HF. Nevertheless, the details of the structure, such as hydrogen bond length (3.01 Å) and amount of deviation from linearity (58.5°), do reflect the strength of the interaction and show clear correlations with the gas-phase acidity. Comparison with analogous complexes allows the determination of the relative importance of electrostatic interactions and steric requirements in leading to the observed structures.
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http://dx.doi.org/10.1021/jp406732g | DOI Listing |
Toxics
July 2025
Battelle Memorial Institute, 505 King Ave, Columbus, OH 43201, USA.
Microplastics (MPs) and nanoplastics (NPs) can affect microbial abundance and activity, likely by damaging cell membrane components. While their effects on anaerobic digestion are known, less is understood about their impact on microbes involved in contaminant bioremediation. Chlorinated volatile organic contaminants (CVOCs) such as tetrachloroethene (PCE) and explosives like hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) are common in the environment, and their bioremediation is a promising cleanup strategy.
View Article and Find Full Text PDFACS Sustain Chem Eng
May 2025
Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, CO 80401, United States.
Lignin-derived aromatic carboxylic acids can be produced from oxidative catalytic processes and are promising building blocks for performance-advantaged bioproducts that leverage their inherent heteroatom functionalities. Here, we synthesize 2-methoxyterephthalate and 2,6-dimethoxyterephthalate derivatives by electrochemical carboxylation of guaiacyl- and syringyl-derived lignin monomers obtained from the oxidative deconstruction of lignin. These methoxylated terephthalates are evaluated as co-monomers in poly(ethylene terephthalate) (PET) and as plasticizers that could replace petrochemically-derived isophthalate and phthalate, respectively.
View Article and Find Full Text PDFJ Chem Phys
August 2025
State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou 350108, People's Republic of China.
In this study, we systematically investigated the performance of eight transition metal atom-loaded triazine-based graphitic carbon nitride (TM@TGCN) for the catalysis of 1,2-dichloroethane (1,2-DCE) dechlorination reaction (DCEDR) by density functional theory calculations. Through the five-step screening method, the suitable catalysts, respectively, applicable to the generation of vinyl chloride (CH2CHCl), ethylene (CH2CH2), and ethane (CH3CH3) were finally determined. The limiting potential of Fe@TGCN for reducing 1,2-DCE to CH3CH3 is lower, at -0.
View Article and Find Full Text PDFAdv Mater
August 2025
State Key Laboratory for Reliability and Intelligence of Electrical Equipment, Engineering Research Center of Ministry of Education for Intelligent Rehabilitation Device and Detection Technology, Hebei Key Laboratory of Smart Sensing and Human-Robot Interaction, School of Mechanical Engineering, Heb
Ionic thermoelectric (i-TE) materials show promise for flexible energy harvesting and self-powered sensing due to their high ionic Seebeck coefficients (S). However, achieving both high thermoelectric performance and mechanical stretchability, especially in n-type systems, remains a critical challenge. Herein, a poly(vinyl alcohol) (PVA)-based n-type i-TE hydrogel is presented that exhibits both large negative S (-38.
View Article and Find Full Text PDFBiochim Biophys Acta Mol Basis Dis
August 2025
Department of Emergency Medicine, National Taiwan University Hospital, Taipei, Taiwan; Department of Emergency Medicine, College of Medicine, National Taiwan University, Taipei, Taiwan. Electronic address:
2-Chloroethanol (2CE), a metabolite of ethylene oxide, vinyl chloride, and 1,2-dichloroethene, induces acute liver injury, but its mechanisms remain poorly defined. In this study, we demonstrate that 2CE disrupts endoplasmic reticulum (ER) homeostasis and activates unfolded protein response (UPR) signaling in both mouse liver and H4IIEC3 hepatoma cells. While in vivo eIF2α-CHOP signaling predominated, all three canonical UPR branches-IRE1α-XBP1s, PERK-eIF2α-CHOP, and ATF6-were activated in vitro.
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