Binding and Translocation of Substrate Allosterically Promotes Functional Interactions Within the AlkB-AlkG Electron Transfer Complex.

Making waves: Overcoming toxicity and deactivation challenges in polymerization-based wastewater treatment.

In silico investigation of molecular mechanisms underlying the function of NLuc and its variants.

Orthogonal chemical-biological profiling of bioactive components from Olea europaea L. fruits for mitigating hypoxia-induced cellular injury.

Virus-induced redox cycling in Fe(II)/peracetic acid systems: dual roles as reactant and catalytic promoter.

High-performance and stable Schwertmannite/Al2O3 composite for efficient tetracycline hydrochloride degradation via heterogeneous Fenton-like catalysis.

Aprotic lithium-oxygen batteries (LOBs) have been regarded as novel energy storage devices due to their excellent specific energy density, yet the large discharge/charge overpotentials remain a formidable obstacle to be overcome. A photoassisted battery has been verified as one of the most effective approaches to reduce the overpotentials of LOBs. Herein, ZnO nanorod arrays were in situ grown on carbon textile, followed by in situ transformation to form Zn-HHTP@ZnO (HHTP, hexahydroxytriphenylene) heterojunction photocatalysts. The porous structure and conjugated system of highly conductive Zn-HHTP provide efficient electron conduction pathways, compensating for the insufficient conductivity of ZnO. The nano-array structure enables multiple scattering and reflection of incident light within the array, enhancing photon utilization efficiency. The in situ grown Zn-HHTP@ZnO heterojunction composite not only possesses abundant active catalytic sites but also exhibits a broad light absorption range. Consequently, the assembled LOBs with Zn-HHTP@ZnO cathode deliver a low charging potential of 3.20 V under illumination and an excellent energy efficiency of 93.4%, which is significantly higher than that of 78% under dark conditions. Therefore, this paper provides a deeper understanding of the mechanism of photoexcited charge carriers in LOBs and will facilitate further exploration of light-involved energy storage systems.

Addressing urgent global energy demands, efficient multifunctional electrocatalysts are critical for next-generation clean energy technologies including fuel cells and metal-air batteries. Through systematic first-principles calculations, this work comprehensively evaluates 2D kagome MB3 (M = Be, Ca, Sr) monolayers as promising electrocatalytic substrates. Transition metal single-atom decoration achieves exceptional bifunctional performance in Ni@CaB3 with remarkably low oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) overpotentials of 0.37 V and 0.41 V, respectively. However, these gains are compromised by thermally induced metastability at 300 K, where heavy transition metal atoms migrate into kagome interlayers, distorting the active surface. We develop an innovative cesium anchoring strategy that suppresses atomic migration while preserving catalytic sites. Ni@CaB3 maintains its OER activity (0.38 V) despite a moderate ORR overpotential increase to 0.60 V. Electronic analysis further reveals that Cs+ indirectly modulates the hydrogen evolution (HER) activity via boron-mediated charge transfer. This charge redistribution induces predictable shifts in the d-band centers of the transition metals, thereby rationally elevating the performance of Fe@CaB3 above Mn@CaB3. Beyond establishing Ni@CaB3 as a prime bifunctional catalyst, this work resolves decoration-induced metastability in otherwise stable kagome lattices and delivers a generalizable stabilization paradigm applicable to engineered 2D electrocatalysts for sustainable energy conversion.

Ce doped Bi-MOF derived hollow Bi2O3/CeO2: Abundant oxygen vacancies to efficiently enhance catalytic ozonation of 4-Nitrophenol.

Strategies of modulating the microenvironment of catalytic sites for enhanced C–C coupling in photo–/electro–catalytic CO2 reduction

In Silico molecular insights into CYP3A-mediated monensin detoxification across species.

Dual-defects Stimulating catalytic site activity to enhance oxygen evolution performance of cobalt oxide

Drug design and synthesis of new N-substituted-thienopyridine based on 2-aminothiophene derivatives as antileishmanial agents.

Mechanistic insights into catalysis of a novel polysaccharide lyase family 40 ulvan lyase from Thalassomonas sp. LD5.

The development of electrocatalysts that function efficiently across the full pH range remains a significant challenge for the hydrogen evolution reaction (HER). Herein, this study reports a class of high-entropy aerogel alloys with remarkable pH-universal HER performance. The excellent electrocatalytic activity arises from the synergistic contributions of three key features: (i) a highly porous architecture that exposes abundant active sites; (ii) high-entropy effects that promote diverse catalytic sites; and (iii) strong inductive effects that optimize hydrogen adsorption/desorption and enhance water activation at active sites. Electrochemical measurements reveal that the best-performing X-La (X = PtPdRuOs) aerogel achieves low overpotentials of 2.3, 28.8, and 25.3mV at 10mA cm-2 in 1.0m HClO4, PBS, and KOH, respectively. This study presents a promising design strategy for developing HER catalysts with robust activity across diverse pH environments.

Breast cancer (BC) is a leading cause of cancer-related mortality, with estrogen receptor (ER)-negative subtypes, especially triple-negative BC, comprising one-fifth of global cases. Natural inhibitors, particularly those from cruciferous vegetables like arugula (Eruca sativa), which are rich in bioactive isothiocyanates (ITCs), show potent anticancer effects and cytoprotection when combined with chemotherapy. Sulforaphane (SFN) and its analogue erucin modulate oxidative stress, detoxification, and epigenetic pathways. This study computationally assessed their anti-cancer potential in ER-negative BC using transcriptomic analysis, molecular docking, and ADMET profiling. Microarray data (GSE28813) from SFN-treated ER-negative MCF10A cells were analyzed via GEO2R and GEOExplorer to identify highly upregulated differentially expressed genes (DEGs). Key DEGs included AKR1B10 (logFC = 7.26), AKR1C1 (logFC = 5.10), AKR1C3 (logFC = 4.42), NMRAL1P1 (logFC = 6.42), and HKDC1 (logFC = 6.13). Elevated AKR1B10 is strongly linked to early BC malignancies, positioning it as a diagnostic and therapeutic target. Molecular docking showed SFN's superior binding affinity to AKR1B10 compared to erucin, with strong interactions at catalytic site residues via hydrogen and hydrophobic bonds. ADMET profiling confirmed SFN's high intestinal absorption and blood-brain barrier non-permeability. Thus, integrating SFN as a natural AKR1B10 inhibitor into ER-negative BC treatment regimens may enhance early malignancy management and support its development as a nutraceutical adjunct.

ConspectusPlastics, a cornerstone of modern civilization, have profoundly transformed numerous aspects of contemporary life. However, their large-scale production and consumption have resulted in severe and unsustainable ecological pressure. The continuous accumulation of plastic waste worldwide, exacerbated by inadequate or inefficient recycling infrastructures, poses a growing threat to fragile ecosystems and has escalated into a global environmental crisis. Conventional recycling methods often entail energy-intensive processes, with further limitations arising from suboptimal efficiency and the generation of secondary pollutants. Addressing these challenges demands systematic innovation toward a new generation of recycling technologies that integrate high efficiency, low energy input, and improved environmental sustainability.Photothermal catalysis has recently emerged as a highly promising pathway for plastic upcycling. By utilizing solar energy to drive chemical transformations, this approach synergistically integrates photochemical and thermochemical activation mechanisms, overcoming the inherent limitations of single-mode reaction systems. Our group has contributed a series of advances in this field, deepening the fundamental understanding of underlying mechanisms and promoting its practical implementation. This Account focuses on three key aspects: (i) rational design principles for photothermal catalytic systems; (ii) precise activation mechanisms of C-X bonds during photothermal plastic conversion; and (iii) techno-economic and environmental sustainability assessments of photothermal upcycling technologies. Broad-spectrum solar energy is efficiently captured and converted into localized heat and reactive species via plasmonic resonance, nonradiative relaxation, and molecular vibrational excitation, creating confined microenvironments capable of activating C-X bonds under mild bulk conditions. The core mechanism involves not only rapid kinetic enhancement through nanoscale heating but also synergistic interactions between the photothermal effect and carefully engineered catalytic active sites. These effects collectively enhance reactant adsorption, induce electronic polarization and redistribution in target bonds, and significantly reduce activation barriers. Since the process is primarily driven by solar energy rather than conventional bulk heating, it exhibits substantial advantages in terms of energy consumption and carbon emissions, as corroborated by techno-economic and life-cycle assessments. Thus, photothermal catalysis offers a transformative and sustainable route for plastic upcycling, uniting high atom economy with environmental compatibility. For future industrial adoption, research efforts should prioritize: (1) developing broad-spectrum catalytic platforms compatible with complex and mixed plastic feedstocks; (2) elucidating reaction mechanisms across multiple scales─from molecular activation to reactor design; and (3) designing continuous-flow systems capable of large-scale processing. Through the integration of advanced functional materials, operando characterization techniques, and scalable reactor engineering, photothermal catalysis represents a paradigm-shifting strategy for sustainable plastic management.

The practical application of electrocatalytic CO2 reduction reaction (CO2RR) holds a great promise but is hindered by low CO2 solubility. Under CO2 mass transfer limitations, the competing hydrogen evolution reaction (HER) is promoted, resulting in a decrease in CO2RR Faradaic efficiency. Before CO2 supply reaches its maximum capacity, in neutral or alkaline conditions, increasing CO2RR selectivity requires additional hydrogen source from solvent H2O dissociation for CO2 protonation. However, it is challenging to concurrently achieve CO2 reduction and H2O dissociation at single active site. Herein, we synthesized a neighboring Ni-Cr atomic pair configuration with distance of ∼2.7Å. COMSOL Multiphysics finite-element studies demonstrate that appropriate distance between dual active sites should be on the order of a few angstroms. Operando XAS and soft NEXAFS characterizations indicate that the Ni-N3 promotes CO2 activation and Cr-N2 accelerates H2O dissociation. Theoretical investigations unveil the thermodynamic and kinetic superiorities of dual-active-site mechanism. Ni-N3/Cr-N2 exhibits higher FECO than Ni-N3, whereas Cr-N4 displays a strong preference for HER. The zero-gap MEA attains J of up to -1000mA cm-2 with a FECO exceeding 85% at a cell voltage of -4.0V, and maintains stable operation for over 100h at a J of -200mA cm-2.

Eight pairs of undescribed trichostatin analogue enantiomers, (±)-karstmycins A-H (1a/1b-8a/8b), and three new enantiomers (9a-11a) together with five known analogues (9b-11b, 12, and 13) were isolated from karst cave-derived Streptomyces sp. DX6D14. The structures and absolute configurations of the new compounds were determined by extensive spectroscopic analysis, as well as nuclear magnetic resonance chemical shifts, optical rotation, and electronic circular dichroism calculations. Compounds 1 and 2 were rare trichostatins featuring a nitrile group, and compounds 3-5 were characterized by a unique piperidin-2-one moiety at the end of the branched C7 side chain. Compounds 3a and 3b showed PTP1B inhibitory activity with IC50 values of 27 ± 2 and 12 ± 2 μM, respectively, compared to the positive control, sodium orthovanadate (IC50: 14 ± 1 μM). A kinetic study indicated that the most potent compound 3b was a mixed-type inhibitor for PTP1B. Molecular docking simulation revealed that 3b simultaneously interacted with the catalytic site and the peripheral site of PTP1B.

Biodiesel is an alternative fuel composed of fatty acid methyl esters that can be synthesized from renewable sources and offers lower combustion emissions compared to fossil fuels. In this study, biodiesel was produced via a transesterification reaction using a basic heterogeneous catalyst derived from corncob carbon, which was activated and surface-modified with NaOH to create active catalytic sites. XRD and FTIR analyses confirmed the presence of Na₂CO₃ and Na₂O, while SEM-EDX revealed a porous surface morphology with uniformly distributed sodium. Used cooking oil (UCO) served as the triglyceride source after undergoing degumming, neutralization, and adsorption processes to reduce free fatty acid (FFA) content. The transesterification reaction was conducted in an ultrasonic water bath using the reflux method at 60°C with an oil-to-methanol molar ratio of 1:12. The optimum reaction conditions were achieved using 0.5 wt% catalyst and a reaction time of 120 minutes, yielding 73.15% biodiesel. The quality of the biodiesel produced under optimum conditions was evaluated based on density, viscosity, acid value, and calorific value, which were 857 kg/m³, 3.8743 cSt, 0.2504 mg KOH/g, and 11,168 cal/g, respectively. These values comply with the quality requirements specified in SNI 04-7182-2015. GC-MS analysis confirmed that the major components of the biodiesel were methyl oleate and methyl palmitate. The utilization of corncob waste as a sustainable catalyst support, combined with alkali modification and ultrasonic enhancement, offers improved catalytic efficiency under mild operating conditions. This eco-friendly catalyst demonstrates strong potential for green catalytic processes in renewable energy development.