Construction of interpretable ensemble learning models for predicting bioaccumulation parameters of organic chemicals in fish.

Accurate prediction of bioaccumulation parameters is essential for assessing exposure, hazards, and risks of chemicals. However, the majority of prediction models on bioaccumulation parameters are individual models based on a single algorithm and lack model interpretation, resulting in unsatisfactory prediction accuracy due to inherent constraints of the algorithm and weak interpretability. Ensemble learning (EL) that combine multiple algorithms, coupled with SHapley Additive exPlanation (SHAP) method, may overcome the limitations.

Integrated Transfer Learning and Multitask Learning Strategies to Construct Graph Neural Network Models for Predicting Bioaccumulation Parameters of Chemicals.

Accurate prediction of parameters related to the environmental exposure of chemicals is crucial for the sound management of chemicals. However, the lack of large data sets for training models may result in poor prediction accuracy and robustness. Herein, integrated transfer learning (TL) and multitask learning (MTL) was proposed for constructing a graph neural network (GNN) model (abbreviated as TL-MTL-GNN model) using -octanol/water partition coefficients as a source domain.

Noncoding RNA-associated competing endogenous RNA networks in trastuzumab-induced cardiotoxicity.

Trastuzumab-induced cardiotoxicity (TIC) is a common and serious disease with abnormal cardiac function. Accumulating evidence has indicated certain non-coding RNAs (ncRNAs), functioning as competing endogenous RNAs (ceRNAs), impacting the progression of cardiovascular diseases. Nonetheless, the specific involvement of ncRNA-mediated ceRNA regulatory mechanisms in TIC remains elusive.

Immobilisation remediation of arsenic-contaminated soils with promising CaAl-layered double hydroxide and bioavailability, bioaccessibility, and speciation-based health risk assessment.

Arsenic (As)-contaminated soil poses great health risk to human mostly through inadvertent oral exposure. We investigated CaAl-layered double hydroxide (CaAl-LDH), a promising immobilising agent, for the remediation of As-contaminated Chinese soils. The effects on specific soil properties and As fractionation were analyzed, and changes in the health risk of soil As were accurately assessed by means of advanced in vivo mice model and in vitro PBET-SHIME model.

Description of Microbacterium dauci sp. nov., a plant growth hormone indoleacetic acid-producing and nitrogen-fixing bacterium isolated from carrot rhizosphere soil.

A plant growth hormone indoleacetic acid-producing strain LX3-4 was isolated from a carrot rhizosphere soil sample collected in Shandong Province, China. It is Gram-stain-positive, non-motile, and has irregular short rod-shaped cells. LX3-4 shared high 16S rRNA gene sequence identity with Microbacterium oleivorans DSM 16091 (99.

Predicting adsorption of organic compounds onto graphene and black phosphorus by molecular dynamics and machine learning.

With an increase in production and application of various engineering nanomaterials (ENMs), they will inevitably be released into the environment. Adsorption of various organic chemicals onto ENMs will impact on their environmental behavior and toxicology. It is unrealistic to experimentally determine adsorption equilibrium constants (K) for the vast number of organics and ENMs due to high cost in expenditure and time.

A Four Amino Acid Metabolism-Associated Genes (AMGs) Signature for Predicting Overall Survival Outcomes and Immunotherapeutic Efficacy in Hepatocellular Carcinoma.

Metabolites are important indicators of cancer and mutations in genes involved in amino acid metabolism may influence tumorigenesis. Immunotherapy is an effective cancer treatment option; however, its relationship with amino acid metabolism has not been reported. In this study, RNA-seq data for 371 liver cancer patients were acquired from TCGA and used as the training set.

Enhanced ferrate(VI) oxidation of organic pollutants through direct electron transfer.

Fe(VI) is a versatile agent for water purification, and various strategies have been developed to improve its pollutant removal efficiency. Herein, it was found that in addition to intermediate iron species [Fe(IV)/Fe(V)], direct electron transfer (DET) played a significant role in the abatement of organic pollutants in Fe(VI)/carbon quantum dots (CQDs) system. Around 86, 83, 73, 64, 52, 45 and 17% of BPA, DCF, SMX, 4-CP, phenol, p-HBA, and IBP (6 μM) could be oxidized by 30 μM of Fe(VI), whereas with the addition of CQDs (4 mg/L), the oxidation ratio of these pollutants increased to 98, 99, 80, 88, 87, 66 and 57%, respectively.

Novel quantitative structure activity relationship models for predicting hexadecane/air partition coefficients of organic compounds.

Predicting the logarithm of hexadecane/air partition coefficient (L) for organic compounds is crucial for understanding the environmental behavior and fate of organic compounds and developing prediction models with polyparameter linear free energy relationships. Herein, two quantitative structure activity relationship (QSAR) models were developed with 1272 L values for the organic compounds by using multiple linear regression (MLR) and support vector machine (SVM) algorithms. On the basis of the OECD principles, the goodness of fit, robustness and predictive ability for the developed models were evaluated.

Design and preparation of highly active TiO photocatalysts by modulating their band structure.

Titanium dioxide photocatalysts with high reduction potential and visible light response hold great promise in photochemical conversion. Here, we used a simple glycine doping method to synthesize novel N-TiO@C photocatalysts with upward shifted conduction bands and narrowed band gaps as well as inhibited recombination of photoinduced electron-hole pairs. The N-TiO@C photocatalysts exhibited higher visible light response and remarkably enhanced photocatalytic activity in the production of nicotinamide adenine dinucleotide (NADH) by photomediated reduction of NAD without any electron mediator.

Efficient removal of TBBPA with a Z-scheme BiVO-(rGO-CuO) photocatalyst under sunlight irradiation.

In this study, reduced graphene oxide (rGO) was used to fabricate a Z-scheme BiVO-(rGO-CuO) photocatalyst for the degradation of Tetrabromobisphenol A (TBBPA) under sunlight irradiation. The photocatalyst was synthesized using a three-step method BiVO-(rGO-CuO) photocatalyst with an rGO loading of 1% and (rGO-CuO) to BiVO ratio of 50% achieved the best degradation effect for TBBPA removal. Electron paramagnetic resonance spectroscopy (EPR) confirmed that the charge transfer path of BiVO-(rGO-CuO) follows that of Z-scheme photocatalysts.

Bacillus arachidis sp. nov., Isolated from Peanut Rhizosphere Soil.

A novel facultatively aerobic bacterium designated SY8 was isolated from a peanut rhizosphere soil sample collected in Jiangsu Province, China. Cells are Gram-stain-positive, rod-shaped, and agar colonies are creamy, opaque, and usually rhizoidal. Strain growth occurs at 30 - 45 °C (optimum 30 °C), pH 4.

Noncoding RNA-Associated Competing Endogenous RNA Networks in Doxorubicin-Induced Cardiotoxicity.

Accumulating evidence has indicated that noncoding RNAs (ncRNAs) are involved in doxorubicin-induced cardiotoxicity (DIC). However, the ncRNA-associated competing endogenous RNA (ceRNA)-mediated regulatory mechanisms in DIC remain unclear. In this study, we aimed to systematically investigate the alterations in expression levels of long noncoding RNA (lncRNA), circular RNA (circRNA), microRNA (miRNA), and mRNA in a DIC mouse model through deep RNA sequencing (RNA-seq).

Involvement of Abnormal Gut Microbiota Composition and Function in Doxorubicin-Induced Cardiotoxicity.

Objectives: Doxorubicin (Dox), a chemotherapeutic anthracycline agent for the treatment of a variety of malignancies, has a limitation in clinical application for dose-dependent cardiotoxicity. The purpose of this study was to explore the relationship between the composition/function of the gut microbiota and Dox-induced cardiotoxicity (DIC).

Methods: C57BL/6J mice were injected intraperitoneally with 15 mg/kg of Dox, with or without antibiotics (Abs) administration.

Simulating and Predicting Adsorption of Organic Pollutants onto Black Phosphorus Nanomaterials.

Layered black phosphorus (BP) has exhibited exciting application prospects in diverse fields. Adsorption of organics onto BP may influence environmental behavior and toxicities of both organic pollutants and BP nanomaterials. However, contributions of various intermolecular interactions to the adsorption remain unclear, and values of adsorption parameters such as adsorption energies () and adsorption equilibrium constants () are lacking.

Disulfiram inhibits oxidative stress and NLRP3 inflammasome activation to prevent LPS-induced cardiac injury.

Sepsis-induced cardiac injury leads to the high rate of mortality, the therapeutics for this disorder are limited. Disulfiram (DSF) is an FDA-approved treatment for chronic alcohol addiction, and its cardio-protection is gradually discovered in recent years. In present study, mice were injected with lipopolysaccharide (LPS, 15 mg/kg) to induce a septic cardiac injury model, and aimed to investigate the protective effect of DSF on sepsis-induced cardiac injury and the underlying mechanisms.

Disulfiram attenuates lipopolysaccharide-induced acute kidney injury by suppressing oxidative stress and NLRP3 inflammasome activation in mice.

Objectives: Disulfiram (DSF), an old drug for treating chronic alcohol addiction, has been reported to exhibit widely pharmacological actions. This study aimed to explore the protective effect of DSF on lipopolysaccharide (LPS)-induced acute kidney injury (AKI).

Methods: C57BL/6J mice were treated with 15 mg/kg LPS (i.

Characterization and Regulation of the Acetolactate Synthase Genes Involved in Acetoin Biosynthesis in .

Acetoin is an important aroma-active chemical in cereal vinegars. was reported to make a significant contribution to acetoin generation in cereal vinegars. However, the related acetoin biosynthesis mechanism was largely unknown.

CATMoS: Collaborative Acute Toxicity Modeling Suite.

Background: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests.

Longitudinal transport timescales in a large dammed river - The Changjiang River.

As a key component of the global water cycle, river flow transports both freshwater and biotic/abiotic matters from land to sea, while in recent decades its rhythm has been strongly disturbed by human activities, especially damming. Yet little is known about the long-distance transport processes along the world's major fluvial systems and the impact of large dams on their timescales. Here, taking the Changjiang River (Yangtze River) as an example, we built a hydrodynamics-based model to investigate the water age and residence time in the mainstream from the upper reach ~700 km upstream of the Three Gorges Dam (TGD) to the estuary ~1900 km downstream of the TGD.

Halomonas bachuensis sp. nov., Isolated from Gobi Soil.

A novel aerobic bacterium designated DX6 was isolated from a Gobi soil sample collected in Bachu County, China. Cells are Gram-stain-negative and rod-shaped and colonies are creamy, circular and smooth. The growth range of NaCl concentration was 1-15% (optimum 2-10%, w/v).

Tetramethylpyrazine production from edible materials by the probiotic .

2,3,5,6-Tetramethylpyrazine (TMP) has health care functions, especially for cardiovascular and cerebrovascular health. In this study, we found that , a well-known probiotic, has the capability to produce acetoin, a precursor of TMP. The culture conditions and medium for the production of TMP by CICC 20138 were optimized.