Proceedings of the National Academy of Sciences of the United States of America
Nov 11, 2025
Histological images offer a wealth of data. Mining these data holds significant potential for enhancing disease diagnosis and prognosis, though challenges remain, especially in noncancer contexts. In this study, we developed a statistical framework t...
The widespread use of quaternary ammonium compounds (QACs), intensified by the COVID-19 pandemic, has led to their increasing presence in aquatic environments, thereby demanding effective treatment strategies for shock loads from industrial discharge...
Traditional screening methods for acetylcholinesterase inhibitors (AChEIs) encounter significant challenges due to two primary factors: subjective errors in colorimetric analysis and reliance on laboratory instruments. To overcome these limitations, ...
Journal of chemical information and modeling
Nov 10, 2025
Accurate prediction of Gibbs activation energies (Δ) for Diels-Alder (DA) reactions remains a critical challenge in computational chemistry, as conventional density functional theory (DFT) methods often fail to consistently achieve chemical accuracy ...
The CRISPR/Cas9 system is a powerful gene-editing tool. Its specificity and stability rely on complex allosteric regulation. Understanding these allosteric regulations is essential for developing high-fidelity Cas9 variants with reduced off-target ef...
International journal of pharmaceutics
Nov 9, 2025
PURPOSE: Gastric adenocarcinoma is a highly aggressive malignancy characterized by a complex tumor microenvironment. Nano-curcumin liposomes hold great potential in inhibiting tumor growth and survival, as well as inducing cuproptosis and oxidative s...
Journal of chemical information and modeling
Nov 9, 2025
Understanding the structure-activity relationship (SAR) of antibiotic scaffolds is crucial for the development of antibiotics to counter the growing crisis of antimicrobial resistant bacteria. However, an overwhelming space of structural features imp...
Journal of chemical information and modeling
Nov 9, 2025
Integrating multiomics data for cancer subtype classification remains a critical yet challenging task due to the high dimensionality, heterogeneity, and limited interpretability of omics features. To address these limitations, we propose OmniCLIC, a ...
Microplastics (MPs) in soil can paradoxically stimulate microbial biomass in a highly context-dependent manner, potentially inducing decomposition and affecting carbon and nitrogen cycles. We conducted a global meta-analysis with 90 studies (710 obse...
The bacterial surface is rich in diverse molecular features, and fully exploiting these natural recognition mechanisms provides innovative avenues for multimechanism detection of foodborne pathogens. Here, we developed a label-free, dual-modal LFIA p...
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