Modifying inhibitor specificity for homologous enzymes by machine learning.

Selective inhibitors are essential for targeted therapeutics and for probing enzyme functions in various biological systems. The two main challenges in identifying such protein-based inhibitors lie in the extensive experimental effort required, including the generation of large libraries, and in tailoring the selectivity of inhibitors to enzymes with homologous structures. To address these challenges, machine learning (ML) is being used to improve protein design by training on targeted libraries and identifying key interface mutations that enhance affinity and specificity.

Anomalous D₀ → F₄ transition induced by alkali ion co-doping in Eu-activated K₇SrY₂(BO) borates: A Judd-Ofelt and photoluminescence analysis for pc-WLEDs.

In this study, red-emitting K₇SrY₂(BO):Eu phosphors were synthesized via high-temperature solid-state reaction. The effects of Li and Na co-doping on structural and photoluminescent properties were investigated. XRD and Rietveld refinement confirmed a phase-pure trigonal structure.

Polyphenol-Based Therapeutic Strategies for Mitochondrial Dysfunction in Aging.

Aging, a progressive and time-dependent decline in physiological functions, is driven by interconnected hallmarks, among which mitochondrial dysfunction plays a central role. Mitochondria not only regulate energy production but also play key roles in other cellular processes, including ROS generation, apoptosis, and metabolic signaling-all of which decline with aging. Polyphenols are a diverse group of natural compounds found in fruits, vegetables, tea, and wine; they emerged as promising anti-aging agents due to their ability to modulate several hallmarks of aging, particularly mitochondrial dysfunction.

Learning-enhanced 3D fiber orientation mapping in thick cardiac tissues.

Fibrous proteins, such as elastin and collagen, are crucial for the structural integrity of the cardiovascular system. For thin tissue-engineered heart valves and surgical patches, the two-dimensional mapping of fiber orientation is well-established. However, for three-dimensional (3D) thick tissue samples, e.

Synthesis, structural characterization, and photoluminescence behavior of NaCa(BO):Tb phosphors Co-doped with K: Insights into radiation-induced defect formation and charge compensation via DFT calculations.

This study explores the structural, optical, and electronic properties of NaCa(BO):Tb phosphors, with and without K co-doping, via experimental techniques and Density Functional Theory (DFT). X-ray diffraction confirmed Tb and K incorporation without phase change. Optimal green photoluminescence at 542 nm occurred at 2 wt% Tb; higher doping led to quenching due to multipolar interactions.