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The concentrations of heavy metals in soft sediments of the Manavgat and Lara regions in Antalya, Türkiye were investigated to assess contamination levels and their potential sources, followed by multivariate statistical analysis and generation of spatial distribution maps. Results showed low contamination levels for As, Zn, and Cu, moderate contamination for Pb, Ni, and Mn, and very high accumulation for Co and Cr. Geoaccumulation index (Igeo) and contamination factor (CF) analyses revealed moderate enrichment for Mn and low enrichment for As, indicating no human-induced contamination in Cu, Pb, Zn, Mn, and As, while Ni, Co, and Cr originated mainly from agriculture. The maximum modified degree of contamination (mCd) value was at an extreme high level, with an average mCd of 4.12 indicating high contamination. Maximum pollution load index (PLI) value was 3.13, indicating high-grade pollution and an average value of 1.7 indicating moderate pollution.
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http://dx.doi.org/10.1016/j.marpolbul.2023.115155 | DOI Listing |
J Chem Inf Model
September 2025
Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, 41 Dinh Tien Hoang, District 1, Ho Chi Minh City 700000, Vietnam.
Molecular property prediction has become essential in accelerating advancements in drug discovery and materials science. Graph Neural Networks have recently demonstrated remarkable success in molecular representation learning; however, their broader adoption is impeded by two significant challenges: (1) data scarcity and constrained model generalization due to the expensive and time-consuming task of acquiring labeled data and (2) inadequate initial node and edge features that fail to incorporate comprehensive chemical domain knowledge, notably orbital information. To address these limitations, we introduce a Knowledge-Guided Graph (KGG) framework employing self-supervised learning to pretrain models using orbital-level features in order to mitigate reliance on extensive labeled data sets.
View Article and Find Full Text PDFAnal Chim Acta
November 2025
State Key Laboratory of Materials-oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing, 211816, PR China; Zhangjiagang Institute of Nanjing Tech University, Suzhou, 215600, PR China. Electronic address:
Background: Zinc (Zn) and cadmium (Cd) ions are ubiquitous in industrial and daily life. Despite their critical impact on food safety and human health, current probes face significant limitations in simultaneously detecting both ions in complex food matrices.
Results: Herein, we successfully developed a pyrene-based FRET ratiometric fluorescent probe QP for the highly selective detection of Zn and Cd.
Anal Chim Acta
November 2025
Chemical and Veterinary Investigations Office Stuttgart, Schaflandstraße 3/2, 70736, Fellbach, Germany.
Background: Previous studies involving cleanup via conventional solid-phase extraction (SPE) materials to overcome matrix effects for the polar organophosphonate and -phosphinate pesticides glyphosate, glufosinate, ethephon, fosetyl, and their various metabolites often showed limitations due to the existence of various matrix compounds in plant commodities with similar polarity. To overcome existing drawbacks, we utilized the unique selectivity provided by metal oxides as SPE materials. These were exploited in a novel automated online SPE-LC-MS/MS method which allowed analyte-specific trapping in the presence of excessive amounts of matrix compounds as typically contained in extracts of the Quick Polar Pesticides (QuPPe) method.
View Article and Find Full Text PDFAnal Chim Acta
November 2025
School of Materials Science and Engineering, School of Chemistry and Chemical Engineering, University of Jinan, Jinan, China. Electronic address:
Background: Bisulfite (HSO) plays crucial roles in food safety and physiological health. In the food industry, sulfur dioxide (SO) and its derivative bisulfite (HSO) are extensively employed as preservatives and bleaching agents. Nonetheless, overconsumption of bisulfite can present health hazards like asthma and potentially cancer.
View Article and Find Full Text PDFAnal Chim Acta
November 2025
State Key Laboratory of Loess Science, Shaanxi Key Laboratory of AMS Technology and Application, Xi'an AMS Center, Institute of Earth Environment, Chinese Academy of Sciences, Xi'an, 710061, China. Electronic address:
Pu and Sr are highly important radionuclides in the environment, which can accumulate in the human body through the food chain and cause radiation exposure. With the continuous discharge of treated nuclear contamination water from the Fukushima Daiichi nuclear power plant, it is crucial to investigate and monitor the levels of Pu and Sr in seafood. However, it is still a challenge to determine Pu and Sr in seafood at environmental levels, owing to their extremely low concentrations, labor-intensive and time-consuming pre-treatment for large-sized samples.
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