The journal of physical chemistry letters
Jan 14, 2026
We model water adsorption at pairs of proximate Brønsted acid sites (BASs) in zeolites H-MFI, H-FAU, and H-CHA. We use machine-learning potentials to explore the potential energy surface, combined with quantum mechanical methods for chemically accura... read more
Small (Weinheim an der Bergstrasse, Germany)
Jan 14, 2026
Porous carbon materials (PCMs) have emerged as key players in energy storage and environmental remediation thanks to their highly tunable pore structure parameters. However, traditional empirical approaches for optimizing these parameters are time-co... read more
The functional properties of nanoclusters are dictated by their atomic-scale structures; however, the efficient discovery of global energy minima on complex high-dimensional potential energy surfaces remains a formidable challenge in computational ma... read more
Small (Weinheim an der Bergstrasse, Germany)
Jan 14, 2026
The geometric design of structures with optimized physical and chemical properties is one of the core topics in materials science. However, designing new functional materials is challenging due to the vast number of existing and possible unknown stru... read more
Small (Weinheim an der Bergstrasse, Germany)
Jan 14, 2026
The severe environmental impact of conventional plastic electronics necessitates next-generation wearable devices simultaneously embodying high performance, flexibility, and sustainability. Herein, we propose a 1D nano-confined high-pressure crystall... read more
Small (Weinheim an der Bergstrasse, Germany)
Jan 14, 2026
Light's spin angular momentum endows photons with rich polarization degrees of freedom, an extra "knob" of control beyond intensity and wavelength that underpins breakthroughs in imaging, sensing, data storage, and quantum information. Yet reliably m... read more
Precise manipulation of small sample volumes through enrichment, metering, routing, and selective sorting defines the analytical performance of microfluidic systems. While passive approaches such as deterministic lateral displacement and inertial mic... read more
Journal of clinical rheumatology : practical reports on rheumatic & musculoskeletal diseases
Jan 14, 2026
OBJECTIVE: The risk factors for inpatient calcium pyrophosphate deposition disease (CPPD) flares remain poorly defined. This study aimed to identify independent risk factors for inpatient CPPD flares and develop exploratory predictive models to suppo... read more
Objective. Fetal and maternal health during pregnancy can be monitored with sensors such as Doppler or scalp fetal ECG. This study focuses on single-channel dry electrode maternal abdominal ECG (aECG) to extract fetal heart rate (fHR) using a low-com... read more
Journal of chemical information and modeling
Jan 14, 2026
G Protein-Coupled Receptors (GPCRs) are important targets for drug discovery owing to their ability to respond to a broad range of stimuli and their involvement in numerous pathologies. Although traditional ligand-based and structure-based approaches... read more
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