This paper explores the strong potential of chemical mining of wastewater for markers of community-wide intake of wide-ranging harmful chemicals belonging to several usage groups: industrial chemicals, personal care products, pesticides, illicit drugs, lifestyle chemicals and prescription pharmaceuticals as a proxy for multi-chemical community-wide exposure. An estimation of chemical intake in five contrasting town/cities based in the Avon River catchment in the South-West UK was undertaken. High-resolution spatiotemporal pharmaceutical prescription databases were used for system calibration, both in terms of biomarker selection and its correction factor, as well as for the overall system performance evaluation, both spatially and temporality. Only metabolism data accounting for phase two metabolism provided correct estimates of pharma intake. Using parent compounds as XCRs (xenobiotic compounds residue) was found to overestimate exposure due to an inclusion of directly disposed (unused) drugs. Spatiotemporal trends in XC intake were observed as a result of occupational exposure (higher bisphenol A (BPA) intake during weekday), and lifestyle choices (higher cocaine and pyrethroid pesticides intake during weekend). WBE is not intended to estimate individual exposure to chemicals. It can however provide estimates at a community level, and as a result, it has the potential to be developed into an early warning system, a powerful tool for large scale screening studies identifying communities at risk and in need of high resolution individual testing at a localised scale.
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http://dx.doi.org/10.1016/j.envint.2020.106331 | DOI Listing |
Sci Rep
December 2024
Key Laboratory of Computing Power Network and Information Security, Shandong Computer Science Center (National Supercomputing Center in Jinan), Ministry of Education, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250013, Shandong, P. R. China.
Crystal structure similarity is useful for the chemical analysis of nowadays big materials databases and data mining new materials. Here we propose to use two-dimensional Wasserstein distance (earth mover's distance) to measure the compositional similarity between different compounds, based on the periodic table representation of compositions. To demonstrate the effectiveness of our approach, 1586 Cu-S based compounds are taken from the inorganic crystal structure database (ICSD) to form a validation dataset.
View Article and Find Full Text PDFBMC Musculoskelet Disord
December 2024
Occupational Cancer Research Centre, Ontario Health, 525 University Avenue, 5th floor, Toronto, Ontario, M5G 2L3, Canada.
Background: Carpal tunnel syndrome (CTS) is a prevalent cumulative strain injury associated with occupational risk factors such as vibration, repetitive and forceful wrist movements, and awkward wrist postures. This study aimed to identify Ontario workers at elevated risk for CTS and to explore sex differences in CTS risk among workers.
Methods: The Occupational Disease Surveillance System (ODSS) links accepted lost time compensation claims to health administrative databases.
BMC Genomics
December 2024
Institut Teknologi Bandung, School of Life Sciences and Technology, Bandung, West Java, Indonesia.
Background: The marine environment boasts distinctive physical, chemical, and biological characteristics. While numerous studies have delved into the microbial ecology and biological potential of the marine environment, exploration of genetically encoded, deep-sea sourced secondary metabolites remains scarce. This study endeavors to investigate marine bioproducts derived from deep-sea water samples at a depth of 1,000 m in the Java Trench, Indonesia, utilizing both culture-dependent and whole-genome sequencing methods.
View Article and Find Full Text PDFJ Environ Manage
December 2024
Department of Orthopedics, Lanzhou University Second Hospital, Lanzhou University, Lanzhou, Gansu, 730030, PR China; The Second Clinical School, Lanzhou University, Lanzhou, Gansu, 730030, PR China; Orthopaedics Key Laboratory of Gansu Province, Lanzhou, Gansu, 730030, PR China. Electronic address:
Polyethylene terephthalate microplastics (PET-MPs) have emerged as a significant environmental concern due to their persistence and potential health hazards. Their role in degenerative diseases, particularly intervertebral disc degeneration (IVDD), remains poorly understood, highlighting the need for systematic evaluation of their molecular toxicity. In this study, network toxicology and molecular docking approaches were applied to investigate the toxicological mechanisms of PET-MPs-induced IVDD.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States.
Discovery of cancer immunogenic chemotherapeutics represents an emerging, highly promising direction for cancer treatment that uses a chemical drug to achieve the efficacy of both chemotherapy and immunotherapy. Herein, we report a high-throughput screening platform and the subsequent discovery of a new class of cancer immunogenic chemotherapeutic leads. Our platform integrates informatics-based activity metabolomics for the rapid identification of microbial natural products with both novel structures and potent activities.
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