Balancing the Functionality and Biocompatibility of Materials with a Deep-Learning-Based Inverse Design Framework.

The rational design of molecules with the desired functionality presents a significant challenge in chemistry. Moreover, it is worth noting that making chemicals safe and sustainable is crucial to bringing them to the market. To address this, we propose a novel deep learning framework developed explicitly for inverse design of molecules with both functionality and biocompatibility.

A cell-based exploration of environmental and health impacts of food waste digestate for its sustainable reutilization.

Anaerobic digestion of food waste is increasingly utilized for bioenergy generation, producing a byproduct known as food waste digestate (FWD), which has potential applications as a fertilizer within the circular economy. However, accumulating numerous pollutants in FWD poses significant challenges to environmental management and human health. The complex nature of these pollutants complicates both targeted and non-targeted chemical analyses, making safety evaluations difficult.

Advanced Mass-Spectra-Based Machine Learning for Predicting the Toxicity of Traditional Chinese Medicines.

Traditional Chinese medicine (TCM) has been a cornerstone of health care for centuries, valued for its preventive and therapeutic properties. However, recent decades have revealed significant toxicological concerns associated with TCMs due to their complex chemical compositions. Traditional QSAR (quantitative structure-activity relationships) models, which predict toxicity based on chemical structures, face challenges with the intricate nature of TCM compounds.

Advances and Challenges in Tracking Interactions Between Plants and Metal-Based Nanoparticles.

Metal-based nanoparticles (MNPs) are increasingly prevalent in the environment due to both natural processes and human activities, leading to direct interactions with plants through soil, water, and air exposure that can have beneficial and detrimental effects on plant growth and health. Understanding the uptake, translocation, and transformation of MNPs in plants is crucial for assessing environmental risks and leveraging nanotechnology in agriculture. However, accurate analysis of MNPs in plant tissues poses significant challenges due to complex plant matrices and the dynamic nature of nanoparticles.

Estimating global phase synchronization by quantifying multivariate mutual information and detecting network structure.

In neuroscience, phase synchronization (PS) is a crucial mechanism that facilitates information processing and transmission between different brain regions. Specifically, global phase synchronization (GPS) characterizes the degree of PS among multivariate neural signals. In recent years, several GPS methods have been proposed.

Enhancing hospital protection measures reduces frontline medical workers' stress during the pandemic.

Frontline medical workers (FMWs) faced high stress levels in frontline clinics during the COVID-19 pandemic. This study aims to alleviate FMWs' psychological stress by enhancing protection measures, which includes refining the selection process, improving protective measures for their work in frontline clinics, and determining the appropriate time for evacuation. A Chinese-language-version stress questionnaire, covering stress-related issues and sociodemographic characteristics, was administered to FMWs in Shanghai during the COVID-19 pandemic in 2022, yielding 107 valid responses.

Photochemistry of microplastics-derived dissolved organic matter: Reactive species generation and organic pollutant degradation.

Dissolved organic matter (DOM) originating from microplastics (MPs-DOM) is increasingly recognized as a substantial component of aquatic DOM. The photochemistry of MPs-DOM, essential for understanding its environmental fate and impacts, remains largely unexplored. This study investigates the photochemical behaviors of MPs-DOM derived from two common plastics: polystyrene (PS) and polyvinyl chloride (PVC), which represent aromatic and aliphatic plastics, respectively.

Clinical features and progression of Parkinson's disease with LRRK2 variants: A prospective study.

Objective: We established a prospective cohort study to investigate the differences in motor and non-motor symptoms between idiopathic Parkinson's disease (IPD) and Parkinson's disease in carriers of leucine-rich repeat kinase 2 (LRRK2) gene risk variants (LRRK2-PD).

Methods: The study included 1407 individuals with IPD and 649 individuals with LRRK2-PD (comprising 304 with LRRK2-G2385R, 220 with LRRK2-R1628P, and 105 with LRRK2-A419V). Differences in symptoms between LRRK2-PD and IPD were analyzed using LCMM modeling and Cox regression analysis.

Quantitatively Tracking the Speciation and Dynamics of Selenium Nanoparticles in Rice Plants.

The uptake, translocation, and transformation of engineered nanoparticles (ENPs) in plants present significant challenges due to the lack of effective determination methods. This is especially true for selenium nanoparticles (SeNPs), which hold promise for Se-biofortified agriculture and exhibit dynamic behaviors within plant system. Herein, we proposed a novel approach that incorporates enzymic digestion and membrane filtration to selectively extract SeNPs and dissolved Se from plant tissues, employing rice () plant as a model.

Microplastic-derived dissolved organic matter: Generation, characterization, and environmental behaviors.

Microplastics (MPs) represent a substantial and emerging class of pollutants distributed widely in various environments, sparking growing concerns about their environmental impact. In environmental systems, dissolved organic matter (DOM) is crucial in shaping the physical, chemical, and biological processes of pollutants while significantly contributing to the global carbon budget. Recent findings have revealed that microplastic-derived dissolved organic matter (MP-DOM) constitutes approximately 10 % of the DOM present on the ocean surface, drawing considerable attention.

Direct evidence for the occurrence of indigenous cadmium-based nanoparticles in paddy soils.

Speciation of heavy metal-based nanoparticles (NPs) in paddy soils greatly determines their fate and potential risk towards food safety. However, quantitative understanding of such distinctive species remains challenging, because they are commonly presented at trace levels (e.g.

Elevated expression of ECT2 as a diagnostic marker and prognostic indicator in endometrial cancer.

Objectives: The study aims to investigate genes associated with endometrial cancer (EC) progression to identify new biomarkers for early detection.

Methods: Differentially expressed genes (DEGs), Series test of cluster (STC) and protein-protein interaction analyses identified hub genes in EC. Clinical samples were utilized to examine the expression pattern of ECT2, assess its prognostic value, and evaluate its diagnostic potential.

Toxicity and Modeling Reveal Nanoplastic Effects on Marine Bivalves.

Nanoplastics (NPs) represent a growing concern for global environmental health, particularly in marine ecosystems where they predominantly accumulate. The impact of NPs on marine benthic organisms, such as bivalves, raises critical questions regarding ecological integrity and food safety. Traditional methods for assessing NP toxicity are often limited by their time-intensive nature and ethical considerations.

NEDD4L is a promoter for angiogenesis and cell proliferation in human umbilical vein endothelial cells.

Dysregulated angiogenesis leads to neovascularization, which can promote or exacerbate various diseases. Previous studies have proved that NEDD4L plays an important role in hypertension and atherosclerosis. Hence, we hypothesized that NEDD4L may be a critical regulator of endothelial cell (EC) function.

Research Progress of Natural Product Photosensitizers in Photodynamic Therapy.

Photodynamic therapy is a noninvasive cancer treatment that utilizes photosensitizers to generate reactive oxygen species upon light exposure, leading to tumor cell apoptosis. Although photosensitizers have shown efficacy in clinical practice, they are associated with certain disadvantages, such as a certain degree of toxicity and limited availability. Recent studies have shown that natural product photosensitizers offer promising options due to their low toxicity and potential therapeutic effects.

The role of family of cation-chloride cotransporters and drug discovery methodologies.

The () of cation-chloride cotransporters (CCCs) comprises potassium chloride cotransporters (KCCs, e.g. KCC1, KCC2, KCC3, and KCC4)-mediated Cl extrusion, and sodium potassium chloride cotransporters (N[K]CCs, NKCC1, NKCC2, and NCC)-mediated Cl loading.

Surface-Charge-Driven Ferroptosis and Mitochondrial Dysfunction Is Involved in Toxicity Diversity in the Marine Bivalve Exposed to Nanoplastics.

Nanoplastics (NPs) pervade daily life, posing serious threats to marine ecosystems. Despite the crucial role that surface charge plays in NP effects, there is a substantial gap in our understanding of how surface charge influences NP toxicity. Herein, by exposing () to both positively charged NPs (p-NPs) and negatively charged NPs (n-NPs) at environmentally relevant particle number levels for a duration of 35 days, we unequivocally demonstrate that both types of NPs had discernible impacts on the clams depending on their surface charge.

Deciphering fluorescent and molecular fingerprint of dissolved organic matter leached from microplastics in water.

Despite extensive research into the presence and behavior of microplastics (MPs) in the environment, limited attention has been given to the investigation of the characteristics of dissolved organic matter (DOM) that leaches from MPs (MPs-DOM). Herein, two frequently encountered plastic particles in aquatic environments, specifically polyethylene terephthalate (PET)- and polyethylene (PE)-MPs, were subjected to leaching in the aquatic settings for seven days, both in the absence of light and under UV irradiation. Measurements of dissolved organic carbon (DOC) indicated that UV exposure enhanced the liberation of DOM from PET-MPs, while PE-MPs did not exhibit such leaching.

Multitask Deep Learning Enabling a Synergy for Cadmium and Methane Mitigation with Biochar Amendments in Paddy Soils.

Biochar has demonstrated significant promise in addressing heavy metal contamination and methane (CH) emissions in paddy soils; however, achieving a synergy between these two goals is challenging due to various variables, including the characteristics of biochar and soil properties that influence biochar's performance. Here, we successfully developed an interpretable multitask deep learning (MTDL) model by employing a tensor tracking paradigm to facilitate parameter sharing between two separate data sets, enabling a synergy between Cd and CH mitigation with biochar amendments. The characteristics of biochar contribute similar weightings of 67.

Cooperative roles of phosphate and dissolved organic matter in inhibiting ferrihydrite transformation and their distinct fates.

Phosphate and dissolved organic matter (DOM) mediate the crystalline transformation of ferrihydrite catalyzed by Fe(II) in subsurface environments such as soils and groundwater. However, the cooperative mechanisms underlying the mediation of phosphate and DOM in crystalline transformation of ferrihydrite and the feedback effects on their own distribution and speciation remain unresolved. In this study, solid characterization indicates that phosphate and DOM can collectively inhibit the crystalline transformation of ferrihydrite to lepidocrocite and thus goethite, via synergetic effects of inhibiting recrystallization and electron transfer.

Nanoplastic Exposure at Environmental Concentrations Disrupts Hepatic Lipid Metabolism through Oxidative Stress Induction and Endoplasmic Reticulum Homeostasis Perturbation.

In this study, we investigated the mechanism underlying the perturbation of hepatic lipid metabolism in response to micro/nanoplastic (MP/NP) exposure at environmentally relevant concentrations. Polystyrene (PS) MPs/NPs with different sizes (0.1, 0.