BACKGROUND: Pathological complete response (pCR) following neoadjuvant chemoradiotherapy (nCRT) in locally advanced rectal cancer (LARC) is a key prognostic marker with implications for response-adapted management. Although magnetic resonance imaging... read more
We introduce a graph neural network framework that integrates density functional theory (DFT) calculations and scanning tunneling microscopy experimental data to predict molecular self-assembly behavior on metal surfaces. We constructed a data set co... read more
Near-infrared diffuse reflectance hyperspectral imaging (HSI), as an emerging noninvasive imaging technology, captures organ-specific spectral information, but the spectrum may be different between individuals and changes with physiological states. A... read more
The Journal of antimicrobial chemotherapy
May 5, 2026
BACKGROUND: Monitoring antibiotic consumption and resistance is central to antimicrobial stewardship (AMS). However, this is particularly challenging in paediatrics due to weight-based dosing and heterogeneous patient populations. OBJECTIVES: To expl... read more
BACKGROUND: Atrial fibrillation (AF) is the most common sustained arrhythmia worldwide and a major contributor to stroke and cardiovascular morbidity. Conventional diagnostics, including electrocardiograms (ECG) and ambulatory monitors, are limited b... read more
Nanoconfined fluid is central to many engineering applications such as shale energy production, carbon sequestration, and molecular separations. While classical molecular dynamics (MD) simulation provides essential atomistic detail, its prohibitive c... read more
Analytical and bioanalytical chemistry
May 5, 2026
Pyrrolizidine alkaloids (PAs) are naturally occurring toxic secondary metabolites found in plants. However, the identification of PAs often relies on commercially available standards, which are expensive and limited in availability. To overcome this ... read more
MOTIVATION: Organic synthesis is fundamental to the chemical industry, particularly in domains such as pharmaceutical development. While artificial intelligence offers powerful tools for modeling chemical reactions, current approaches are primarily l... read more
IMPORTANCE: Surgery often has lasting impacts on quality of life, which requires outcome measurement beyond 30 days. Even when long-term outcomes are measured, point-of-care risk calculators have not been developed for long-term outcomes. OBJECTIVE: ... read more
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