The study investigates the interaction between the human epidermal growth receptor 2 (HER2) and amygdalin, a compound found in peaches, almonds, and apples. To assess the potential of amygdalin, the interaction between HER2 and amygdalin was explored using molecular docking and molecular dynamics simulations. Binding energies were evaluated for both the crystal and equilibrated HER2 structures. The effects of water on binding were also assessed. Molecular dynamics simulations analyzed structural changes in HER2, including interdomain distances, hydrogen bond fluctuations, dihedral angle shifts, and residue-residue distances at the dimerization arm. The free energy landscape was constructed to evaluate stability. Binding energies of −33.472 ​kJ/mol and −36.651 ± 0.867 ​kJ/mol were observed for the crystal and equilibrated HER2 structures, respectively, with water further enhancing binding to −41.212,4 ​± ​1.272,7 and −53.513 ± 1.452,3 ​kJ/mol. Molecular dynamics simulations revealed significant conformational changes in HER2, including a reduction in interdomain distance, fluctuations in hydrogen bond lengths, and a shift in dihedral angles from 60° to −30°. The residue-residue distance at the dimerization arm decreased, indicating conformational changes upon binding. The free energy landscape showed a deeper and more defined minimum in the bound state, reflecting enhanced stability. These findings highlight amygdalin’s potential as a therapeutic agent targeting HER2.

In photocatalytic water treatment processes, the particulate photocatalysts are typically immobilized on membrane, through either chemical/physical loading onto the surface or directly embedding in the membrane matrix. However, these immobilization strategies inevitably compromise the interfacial mass diffusion and cause activity decline relative to the suspended catalyst. Here, we propose a binder-free surface immobilization strategy for fabrication of high-activity photocatalytic membrane. Through a simple dimethylformamide (DMF) treatment, the nanofibers of polyvinylidene fluoride membrane were softened and stretched, creating enlarged micropores to efficiently capture the photocatalyst. Subsequently, the nanofibers underwent shrinking during DMF evaporation, thus firmly strapping the photocatalyst microparticles on the membrane surface. This surface self-bounded photocatalytic membrane, with firmly bounded yet highly exposed photocatalyst, exhibited 4.2-fold higher efficiency in hydrogen peroxide (H₂O₂) photosynthesis than the matrix-embedded control, due to improved O₂ accessibility and H₂O₂ diffusion. It even outperformed the suspension photocatalytic system attributed to alleviated H₂O₂ decomposition at the hydrophobic surface. When adopted for UV-based water treatment, the photocatalytic system exhibited tenfold faster micropollutants photodegradation than the catalyst-free control and demonstrated superior robustness for treating contaminated tap water, lake water and secondary wastewater effluent. This immobilization strategy can also be extended to the fabrication of other photocatalytic membranes with diverse catalyst types and membrane substrate. Overall, our work opens a facile avenue for fabrication of high-performance photocatalytic membranes, which may benefit advanced oxidation water purification application and beyond.

Efficient photocatalytic valorization of lignocellulose, Earth’s most abundant renewable biomass, remains a longstanding scientific challenge. In this study, an atomically dispersed Pt catalyst anchored on carbon nitride was developed, which promotes charge separation and modulates the electronic structure. Mechanistic investigations reveal that •OH radicals induce retro-aldol cleavage of sugars, while photogenerated electrons facilitate proton reduction to H₂. The catalyst exhibits outstanding activity and selectivity, offering a sustainable solar-driven approach for simultaneous energy conversion and platform chemical production from biomass.

Discover how a common probiotic can supercharge a cholesterol-lowering drug at low doses but turn dangerous with higher amounts. A new study reveals surprising insights into the delicate balance between probiotics and medication, with big implications for your health.

Discover how scientists have developed a groundbreaking quantum metrology technique that can measure tiny displacements with incredible precision, even beyond the diffraction limit. This innovation could revolutionize nanofabrication, microscopy, and more. Read on to learn about this exciting advancement in precision measurement!

Discover how China’s HPR1000 nuclear reactor is revolutionizing safety with its Passive Containment Heat Removal System. A new study reveals the advanced technologies that keep containment vessels intact during severe accidents. Learn about the breakthroughs in heat transfer and natural circulation that make this system a game-changer for nuclear power safety.

Discover how cutting-edge food processing technologies are transforming staple crops into nutrient-rich superfoods! A new study in Engineering explores microwave, ultrasound, and fermentation techniques that boost nutritional value and reduce waste. Learn how these innovations could revolutionize our diets and tackle global food challenges.

Ever wondered how lakes change over centuries? A new study in Engineering uses ancient DNA from lake sediments to reveal how urbanization and nutrient pollution have transformed aquatic plant and cyanobacteria communities in China’s Donghu Lake over nearly 200 years. Discover how these changes impact water quality and biodiversity!