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Hydrogen sulfide (HS) and other reactive sulfur species are important small molecules with biological significance. In addition to common reactive sulfur species like HS, polysulfides, and persulfides, both carbonyl sulfide (COS) and carbon disulfide (CS) have been postulated to be potential sources of reduced sulfur. To better understand this possible connection, we demonstrate that HS can be converted to COS and CS by reaction with simple organic carbonate and thiocarbonate electrophiles, respectively.
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http://dx.doi.org/10.1021/acs.joc.4c01690 | DOI Listing |
J Mol Graph Model
September 2025
Department of Physics, Patan Multiple Campus, Tribhuvan University, Patandhoka, Lalitpur, 44700, Bagmati, Nepal; Department of Physics, St. Xavier's College, Maitighar, Bagmati, 44600, Kathmandu, Nepal. Electronic address:
The bioactive organosulfur compound diallyl sulfide (DAS), found in garlic and onions, was analyzed using density functional theory (DFT). DAS exhibits antimicrobial and anticancer properties, making it a potential candidate for drug discovery. Geometry optimization revealed bond lengths and angles consistent with electron delocalization.
View Article and Find Full Text PDFWater Res
September 2025
College of Environmental Science and Engineering, Hunan University, Changsha, Hunan 410082, China; Key Laboratory of Environmental Biology and Pollution Control (Hunan University), Ministry of Education, Changsha, Hunan 410082, China. Electronic address:
Microplastics (MPs)-derived dissolved organic matter (MPs-DOM) is emerging as a significant contributor to environmental DOM pools. However, the molecular-scale processes governing its interactions with mineral and their effects on photoreactivity remain poorly understood. This study elucidates the structure-dependent molecular transformations and photochemical reactivity of DOM during its interaction with goethite, revealing distinct mechanisms driving reactive oxygen species (ROS) dynamics.
View Article and Find Full Text PDFOrg Lett
September 2025
College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, China Three Gorges University, Yichang, Hubei 443002, P. R. China.
A novel copper-catalyzed radical cross-coupling reaction for the thioesterification of polyfluoroarenes is developed using KS and aldehydes in water. This protocol employs a readily available KS as a sulfur source, eliminating the need for hazardous thiols and organic solvents. The mild reaction conditions are compatible with a wide range of functional groups, providing access to diverse polyfluoroaryl thioesters.
View Article and Find Full Text PDFTalanta
September 2025
State Key Laboratory of Chemistry for NBC Hazards Protection, 102205, Beijing, China. Electronic address:
Organophosphorus nerve agents (OPNAs), including G-agents, EGA (ethyltabun, phosphonamidic acid, P-cyano-N,N-diethyl-, ethyl ester) and V-agents, VM (O-ethyl S-(2-diethylaminoethyl) phosphonothiolate), are highly toxic chemical warfare agents (CWAs) with severe risks to human health and environmental security. This study proposes a chemometric-driven framework for forensic tracing of their synthetic pathways using high-resolution GC × GC-TOFMS. By integrating advanced statistical analysis, we identified 160 synthesis-associated chemical attribution signatures (CAS) for EGA and 138 process-specific CAS for VM, with 11 overlapping markers, including ethoxyphosphates and diethylaminoethylamine derivatives.
View Article and Find Full Text PDFEnviron Sci Technol
September 2025
MOE Key Laboratory of Pollution Processes and Environmental Criteria/Tianjin Engineering Center of Environmental Diagnosis and Contamination Remediation, College of Environmental Science and Engineering, Nankai University, Tianjin 300350, China.
Sulfidized zero-valent iron (S-ZVI) holds promise in the remediation of chlorinated hydrocarbons. However, S-ZVI is susceptible to corrosion in aquifers with elevated dissolved oxygen (DO) levels. This study demonstrates, for the first time, that a trade-off between the passivation and oxidative corrosion of aged S-ZVI can be achieved in the presence of silicate to promote its dechlorination performance on trichloroethylene.
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