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The half-lives of chemical substances in river water are important for assessing environmental persistence and estimating chemical concentrations through exposure modeling. Reports on the half-lives of readily biodegradable substances are limited, and regulatory guidelines provide default values for these substances in the absence of actual data. However, few studies have assessed the effect of experimentally derived half-lives on exposure estimates compared to default values. In this study, we investigated the half-lives of 12 readily biodegradable substances, including surfactants and tertiary amines, and evaluated the impact of the experimentally derived values on the accuracy of model estimation. Most experimentally derived half-lives were less than 24 h, which is considerably shorter than the default values of 120 and 360 h commonly used in regulatory assessments. When half-lives exceeded 60 h, biodegradability in surface water had a limited effect on concentration estimates in The National Institute of Advanced Industrial Science and Technology - Standardized Hydrology-based AssessmeNt tool for chemical Exposure Load model, whereas half-lives below 24 h led to decreased concentration estimates. When concentration estimates using experimentally derived and default values were compared with environmental monitoring data, the experimentally derived half-lives improved the accuracy of the model estimations. These findings suggest that the experimentally derived half-lives of readily biodegradable substances considerably affect exposure estimates. Therefore, readily biodegradable substances that show high exposure concentrations based on default values should be investigated further in higher-tier assessments with experimentally derived values, especially for surface water half-lives.
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http://dx.doi.org/10.1016/j.chemosphere.2025.144579 | DOI Listing |
Zhong Nan Da Xue Xue Bao Yi Xue Ban
May 2025
Department of Pathology, First Clinical College, Changzhi Medical College, Changzhi 046000.
Objectives: Acute lung injury (ALI) is an acute respiratory failure syndrome characterized by impaired gas exchange. Due to the lack of effective targeted drugs, it is associated with high mortality and poor prognosis. (TW) has demonstrated anti-inflammatory activity in the treatment of various diseases.
View Article and Find Full Text PDFZhong Nan Da Xue Xue Bao Yi Xue Ban
May 2025
Department of Information Network Center, Third Xiangya Hospital, Central South University, Changsha 410013, China.
Objectives: Increasing detection of low-risk papillary thyroid carcinoma (PTC) is associated with overdiagnosis and overtreatment. N6-methyladenosine (mA)-mediated microRNA (miRNA) dysregulation plays a critical role in tumor metastasis and progression. However, the functional role of mA-miRNAs in PTC remains unclear.
View Article and Find Full Text PDFSoft Matter
September 2025
Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
We introduce a theoretical and computational framework for extracting the pressure equation of state (EoS) of an active suspension from its steady-state sedimentation profile. As EoSs are prerequisites for many theories in active matter, determining how pressure depends on key parameters such as density, activity, and interparticle interactions is essential to make quantitative predictions relevant to materials design and engineering applications. Focusing on the one-dimensional active Brownian particle (1D-ABP) model, we show that the pressure measured in a homogeneous periodic system can be recovered from the spatial profiles established in sedimentation equilibrium.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
Department of Chemistry and Sustainable Technology, University of Eastern Finland, Joensuu Campus, Yliopistokatu 7, FI-80100, Joensuu, Finland.
Accurate thermodynamic calculations for aluminum alkyls require proper treatment of low-frequency vibrations poorly described by the harmonic approximation (HA). Here, we present a systematic investigation of hindered rotation and out-of-plane bending in aluminum trichloride (ATC) and its methyl derivatives, employing advanced computational methods to perform anharmonic entropy corrections, such as torsional eigenvalue summation (TES), the extended two-dimensional torsion method (E2DT), the multi-structural approximation with torsional anharmonicity (MS-T), and Fourier grid Hamiltonian (FGH). Our results reveal distinct structure-dependent behaviors: monomers exhibit near-free methyl rotations where the HA overestimates entropy by 20-30 J K mol, while dimers show more hindered rotations adequately described by the HA around room temperature.
View Article and Find Full Text PDFJ Agric Food Chem
September 2025
College of Basic Medical Sciences, Shanxi Medical University, Taiyuan, Shanxi 030000, China.
Atherosclerosis (AS) is increasingly recognized as a disease influenced not only by lipid metabolism and inflammation but also by the gut microbiota and their bioactive metabolites. Isoquercitrin (ISO), a natural flavonoid with food-medicine homology, has shown promising antiatherosclerotic potential, yet its underlying mechanisms remain unclear. In this study, ISO administration significantly reduced plaque burden, improved lipid profiles, and restored gut microbial balance by enriching beneficial taxa, such as , , and .
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