Publications by authors named "Wang Donghan"

Background: In recent years, fluorescence sensing technology by rare-earth metal-organic frameworks (Ln-MOFs) as probes has garnered extensive attention in the domains of environmental quality testing, pollutant reduction, and biomolecule analysis because of its non-disruptive nature, rapid response, and high sensitivity. The research on aided magnetic controlling has further advanced the industrial value of Ln-MOFs, but the accomplishment of high specificity and rapid recovery still is a challenge for the magnetic Ln-MOFs in practical applications.

Results: A magnetic Ln-MOFs, FeO@Eu(BDC), doped with FeO using HBDC as the ligand and Eu as the central ion through co-precipitation, has been successfully synthesized.

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  • GADIFF is a novel graph attention diffusion model designed for generating molecular conformations, leveraging equivariant networks and self-attention mechanisms to enhance feature representation and noise prediction.
  • The model incorporates Graph Isomorphism Networks for capturing local interactions within molecular structures and demonstrates improved performance in generating diverse and accurate molecular conformations compared to existing state-of-the-art methods.
  • A derived model, GADIFF-NCI, extends GADIFF's capabilities to noncovalent interaction systems, showing effective conformation generation, indicating its potential for broader applications in studying complex molecular conformations.
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  • Coronaviruses are a significant threat to global health, yet the structure and function of their nucleocapsid (N) proteins are not well understood, hindering antiviral research.
  • Researchers focused on the N-terminal domain (NNTD) of the feline infectious peritonitis virus (FIPV) and discovered that 3,6-dihydroxyflavone (3,6-DHF) acts as a strong inhibitor of the N protein.
  • The study shows that 3,6-DHF effectively inhibits FIPV replication, including in drug-resistant strains, highlighting its potential for developing new antiviral treatments against coronaviruses.
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Porcine deltacoronavirus (PDCoV) is an enteric pathogenic coronavirus that causes acute and severe watery diarrhea in piglets and has the ability of cross-species transmission, posing a great threat to swine production and public health. The interferon (IFN)-mediated signal transduction represents an important component of virus-host interactions and plays an essential role in regulating viral infection. Previous studies have suggested that multifunctional viral proteins encoded by coronaviruses antagonize the production of IFN via various means.

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  • Sertraline is a widely used antidepressant, and a personalized model to predict its concentration can help optimize treatment and minimize side effects.
  • The study involved 415 patients to develop a machine learning model using various algorithms, ultimately selecting XGBoost for its superior performance.
  • Key predictors of sertraline concentration included dosage and liver enzyme levels, with the model achieving 62.5% accuracy in predicting therapeutic concentration, offering valuable guidance for clinicians in treatment planning.
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Background: Trazodone is prescribed for several clinical conditions. Multiple factors may affect trazodone to reach its therapeutic reference range. The concentration-to-dose (C/D) ratio can be used to facilitate the therapeutic drug monitoring of trazodone.

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Background: Variability exists in sertraline pharmacokinetic parameters in individuals, especially obvious in adolescents. We aimed to establish an individualized dosing model of sertraline for adolescents with depression based on artificial intelligence (AI) techniques.

Methods: Data were collected from 258 adolescent patients treated at the First Hospital of Hebei Medical University between December 2019 to July 2022.

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Households have emerged as one of the primary sources for carbon emissions in China, thus posing challenges to the "dual carbon" objectives. Digital finance, an emergent form of industry that fused advanced technology with financial services, had a pronounced impact on household carbon emissions stemming from daily consumption. However, the mechanisms driving this impact have not been adequately examined.

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The interpretability is an important issue for end-to-end learning models. Motivated by computer vision algorithms, an interpretable noncovalent interaction (NCI) correction multimodal (TFRegNCI) is proposed for NCI prediction. TFRegNCI is based on RegNet feature extraction and a transformer encoder fusion strategy.

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Cadmium (Cd) is considered a priority pollutant, and nonylphenol (NP) is a common organic pollutant in water environments. However, the ecological risks of combined Cd and NP pollution have not been fully elucidated. In this study, the effects of Cd, NP, and Cd-NP on the growth and physiology of Hydrocharis dubia (Bl.

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The crude Hedysarum polysaccharides (HPS: HPS-50 and HPS-80) obtained from Radix Hedysari exhibited great pharmacological activities in our previous research. This study investigated the effects of HPS on lipopolysaccharide (LPS)/D-galactosamine (D-GalN)-induced acute liver injury (ALI) in mice and LPS-induced injury in LO2 cells, as well as the relationship between structural characteristics and hepatoprotective activities. The in vivo results showed that compared with HPS-80, HPS-50 showed stronger hepatoprotection, which improved histopathological changes to normal levels.

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In this study, a safe, rapid, and environment-friendly green synthesis of silver nanoparticles using the alcohol extract of Radix (RH-AgNPs) was developed, the alcohol extract of Radix (RH) acted as the reducing agent, stabilizer, and modifier. The main components of RH were determined using high-performance liquid chromatography (HPLC). The particle size and morphology of RH-AgNPs were optimized and characterized by a series of techniques.

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A multimodal deep learning model, DeepNCI, is proposed for improving noncovalent interactions (NCIs) calculated via density functional theory (DFT). DeepNCI is composed of a three-dimensional convolutional neural network (3D CNN) for abstracting critical and comprehensive features from 3D electron density, and a neural network for modeling one-dimensional quantum chemical properties. By merging features from two networks, DeepNCI is able to reduce the root-mean-square error of DFT-calculated NCI from 1.

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High-dimensional potential energy surface (PES) for van der Waals systems with spectroscopic accuracy, is of great importance for quantum dynamics and an extremely challenge job. CO-N is a typical van der Waals system and its high-precision PES may help elucidate weak interaction mechanisms. Taking CO-N potential energies calculated by CCSD(T)-F12b/aug-cc-pVQZ as the benchmark, we establish an accurate, robust, and efficient machine learning model by using only four molecular structure descriptors based on 7966 benchmark potential energies.

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The gastroprotective effects of polysaccharides had become a hot topic in the field of functional polysaccharides research. Three polysaccharides, namely HPS-80-1, HPS-80-2, and HPS-80-3 were purified by DEAE-52 column chromatography. The thermodynamic characteristics, scanning electron microscopy, and Congo red experimental results of the above polysaccharides were greatly distinctive.

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Ulcerative colitis (UC) is a chronic inflammatory disease with an unknown precise etiology. This study proves that Radix Hedysari (RH) ameliorates UC. Four RH extracts were used to ameliorate UC induced by 2,4-Dinitrobenzenesulfonic acid by 7 days intervention in agreement to preliminary studies.

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The presence of tetracycline is ubiquitous and has adverse effects on aquatic systems. A hydroponic experiment was conducted to investigate the ecological sensitivity of Hydrocharis dubia (Bl.) Backer and Trapa bispinosa Roxb.

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Inductive machine learning, and in particular extraction of association rules from data, has been successfully used in multiple application domains, such as market basket analysis, disease prognosis, fraud detection, and protein sequencing. The appeal of rule extraction techniques stems from their ability to handle intricate problems yet produce models based on rules that can be comprehended by humans, and are therefore more transparent. Human comprehension is a factor that may improve adoption and use of data-driven decision support systems clinically via face validity.

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Objective: The use of machine-learning algorithms to classify alerts as real or artifacts in online noninvasive vital sign data streams to reduce alarm fatigue and missed true instability.

Design: Observational cohort study.

Setting: Twenty-four-bed trauma step-down unit.

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