Browse Articles

Proton‐Activated Artificial Channels for pH‐Selective Cancer Therapy

ABSTRACT Proton‐activated ion channels mediate ion transport in response to extracellular acidification, enabling cellular adaptation to acidic microenvironments. Despite their biological importance, mimicking proton‐activated functionality in artificial ion channels remains a significant challenge. Here, we present a novel class of proton‐activated artificial ion channels built from self‐assembled peptide chains integrated into a pH‐responsive 2,2′‐bipyridine scaffold. Protonation induces a conformational switch in the channel‐forming units, promoting one‐dimensional self‐assembly and subsequent hydrophobic packing into functional channels capable of transporting small molecules. As extracellular pH decreases from 7.4 to 6.5, C‐FF exhibits a 10.3‐fold enhancement in cytotoxicity against human colorectal carcinoma cells, boosting an IC 50 of 2.8 µM, mediated through apoptosis induction and cell cycle arrest resulting from disruption of the autophagic process. Significantly, C‐FF demonstrates exceptional selectivity for cancer cells, achieving a selectivity index of 8.5, surpassing that of doxorubicin by one order of magnitude while maintaining comparable potency, highlighting its potential as a pH‐responsive platform for selective anticancer therapy in acidic tumor microenvironments.

Exploring the anti-inflammatory effects of genistein in an in vitro lipopolysaccharide-induced macrophage model

Efficient sampling of large-scale transition pathways and intermediate conformations in sub-mesoscopic protein complexes

Abstract Protein conformational changes are the cornerstone of biological function. While conformers captured experimentally represent metastable states, the pathways connecting them have been elusive for experiments and simulations alike. Nowadays, cryogenic Electron Microscopy is providing rich structural data on proteins trapped in different states for increasingly large systems, but these are out of scope for most computational methods which exhibit an N 2 dependence on size. Based on our previous eBDIMS algorithm, here we present eBDIMS2, an optimized version with quasi-linear size dependence, able to simulate on a desktop computer particularly complex transitions for megadalton protein assemblies, like the rotary motion of ATP synthases. Not only eBDIMS2 pathways spontaneously visit experimental intermediates but also overlap with enhanced and microsecond Molecular Dynamics simulations requiring extensive supercomputing resources. By integrating Elastic Networks with Brownian Dynamics, eBDIMS2 allows an unprecedented exploration of conformational changes of sub-mesoscopic systems previously inaccessible.

Simultaneous Boost of SF ₆ Adsorption Capacity and Kinetics Through Isoreticular Functionalization of Zinc(II)‐Pyrazolate Frameworks

ABSTRACT The capture of sulfur hexafluoride (SF 6 ), the most potent greenhouse gas, is of critical importance. Enhancement of dynamic SF 6 capture capacity presents significant challenges due to its chemical inertness and low concentration in industrial effluent streams. Herein, we demonstrate that the isoreticular functionalization of zinc‐pyrazolate metal‐organic frameworks (MOFs) enables simultaneous enhancement of both SF 6 adsorption capacity and uptake kinetics. Through replacement of benzene with pyridine in the ligand, BUT‐125 (BUT: Beijing University of Technology) achieves a record‐high SF 6 adsorption capacity of 3.57 mmol cm −3 at 0.1 bar and 298 K, representing a 27% improvement over its structural analogue Zn‐DPB (DPB: 1,3‐di(pyrazolate‐4‐yl)benzene). Density functional theory (DFT) calculations reveal that pyridine functionalization increases the positive charge density on hydrogen atoms within molecular trap sites, strengthening C─H···F interactions with SF 6 molecules. Remarkably, BUT‐125 also exhibits outstanding adsorption kinetics, that combined with high equilibrium uptake, leads to an exceptional dynamic SF 6 capture capacity of 3.42 mmol cm −3 from the SF 6 /N 2 (10/90) mixture, surpassing reported porous sorbents.

Direct recycling of end-of-life lithium-ion batteries cathode active materials by hydrothermal route

Abstract At the present time, the increasing use of lithium-ion batteries in electric vehicles has created unprecedented pressure for end-of-life management and resource recovery. This article reports on a direct recycling approach to regenerate spent cathode active materials, in particular Ni-rich NMC622, via a hydrothermal re-lithiation strategy and thermal annealing. An initial screening process was established to separate high purity spent cathode active materials from disassembled LG Chem pouch cells from Hyundai KONA battery packs. A full factorial design was applied to provide a meaningful statistical analysis of the influence of hydrothermal variables - LiOH concentration, temperature and reaction time. The results indicate that lithium concentration and temperature have a strong main effect on regeneration efficiency, while interaction effects with time are more influential for lithium incorporation. The regenerated cathode active materials exhibited structural, morphological and electrochemical performance comparable to commercial NMC622, especially for samples treated at 160 °C, 4 M LiOH and 1 h reaction time. This process demonstrates the feasibility of regenerating degraded cathode active materials for reuse in new batteries, contributing to circular economy strategies and critical raw material independence in Europe. On the other hand, detailed material characterization validated the recovery of layered crystalline structure and localized cation mixing, conditions required for best battery performance. Regenerated electrodes retained high specific capacity during electrochemical testing and displayed good stability over 50 cycles under the conditions tested. Interactions were quantitatively significant and through the statistical analysis approach, optimal synthesis conditions were directed based on interaction limits. Against this background, the proposed method circumvents the high energy consumption and material losses of the pyrometallurgical route and the secondary pollution and reagents needed in the hydrometallurgical leaching process. In summary, direct recycling appears to be a more resource-efficient and sustainable route for the recovery of cathode materials in future battery supply chains.

Structural heterogeneity and substrate engagement mechanism of the bacterial proteasome activator Bpa

Inert Complexes Unlock Ligand‐Accelerated Transition‐Metal Catalysis on Proteins

ABSTRACT Reactions that excel in small‐molecule settings typically require metal loadings far exceeding the number of protein reaction sites (often ≥10‐fold) once transplanted into proteinaceous media—conditions that are not truly “catalytic.” Here, we show that biologically inert metal–ligand complexes based on bathocuproine disulfonic acid disodium salt (BCS) overcome this barrier and enable ligand‐accelerated catalysis (LAC) on proteins under substoichiometric conditions. For example, Ni‐BCS effects complete deprotection of green fluorescent protein bearing N ε ‐propargyloxycarbonyl‐L‐lysine (GFP‐ProcLys) at 5 mol% catalyst with an observed turnover number (TON) ≈ 20, surpassing all previously reported metal‐catalyzed depropargylation reactions. Mechanistic studies indicate that an in situ Ni–H intermediate mediates multiple transformations on proteins, including reductive deuteration of terminal alkenes/alkynes and efficient decaging across diverse amino acid side chains. Likewise, Cu‐BCS enables copper(I)‐catalyzed azide‐alkyne cycloaddition (CuAAC) on proteins at 10 mol% with low residual copper and no protein oxidation, in sharp contrast to the benchmark Cu‐BTTAA (tris((1‐tert‐butyl‐1H‐1,2,3‐triazol‐4‐yl)methyl)amine) system. These outcomes stem from a screening strategy that prioritized metal–ligand stability, eliminating metal complexes susceptible to protein sequestration and selecting strongly coordinating, physiologically inert pairs. The resulting rational ligand‐design framework for protein‐level transition‐metal catalysis expands the frontier of protein chemistry and paves the way to translate advanced small‐molecule LAC strategies onto protein substrates for posttranslational mutagenesis.

Machine learning-based assessment of offshore wind farm impacts on soft-bottom benthic communities in the Shandong Peninsula

Enhancement of signal-to-noise ratio at a high-order exceptional point of coherent perfect absorption

Palladium‐Catalyzed Enantioselective Four‐Component Carbonylative Dicarbofunctionalization of Internal Alkenes With 1 Atm CO

ABSTRACT Transition metal‐catalyzed carbonylation employing CO as a C1 feedstock is fundamental for synthesizing carbonyl compounds in industrial/fine chemical synthesis. Despite the ubiquity of chiral carbonyl motifs in bioactive molecules, general methods for catalytic asymmetric carbonylation under mild conditions remain scarce, hindered by stereocontrol challenges and competing pathways. Current approaches often rely on multistep sequences or restrictive intramolecular strategies. Herein, we report palladium‐catalyzed intermolecular four‐component carbonylative dicarbofunctionalization of internal alkenes, aryl diazonium salts, and nucleophiles under 1 atm CO. This method enables simultaneous control over regio‐, diastereo‐, and enantioselectivity, efficiently constructing congested vicinal stereocenters in acyclic chiral carbonyl scaffolds. Nucleophile modularity affords diverse enantioenriched esters or ketones in high yields and stereoselectivity. The mild conditions prevent racemization of chiral carbonyls, and derivatizations highlight broad synthetic utility.

Advancing data science research education in Africa through datathon-driven innovations

Knittable, thermally insulating, and sustainable aerogel fibers enabled by ion-mediated hierarchical assembly

Spatial Molecular Engineering of Hole Semiconductors Enables Record Efficiency and Durability in Inverted Perovskite Solar Cells

ABSTRACT Conventional small‐molecule hole‐transporting materials (SM‐HTMs), although morphologically robust, typically suffer from limited hole mobility, interfacial energy misalignment, and inefficient charge extraction, which collectively hinder power conversion efficiencies (PCEs) above 25% in inverted perovskite solar cells (PSCs). Herein, breaking from conventional design paradigm, novel spatial molecular engineering was targeted proposed for SM‐HTMs to overcome inherent limitations while reinforcing advantages. By spatially exposing the functional heterocyclic core to release its full potential, the tailored WH13 dramatically enhances the perovskite/HTM interfacial interactions, promotes crystallization, and facilitates hole extraction. More importantly, the resultant planar‐steric architecture enables long‐range π‐stacking order while supporting nanocrystal‐level film‐formation, thereby achieving an optimal balance between charge transport dynamics and morphological features. Consequently, WH13‐based inverted PSCs achieve a champion PCE of 26.6% (certified 26.24%) with exceptional operational stability (>99%, ISOS‐L‐1 500 h), representing the highest efficiency reported to date for SM‐HTM‐based PSCs. This spatial molecular engineering strategy establishes a generalizable design paradigm for next‐generation HTMs, opening a promising pathway toward high‐performance, operationally stable, and commercially viable PSCs.

Prioritizing neglected food species in nutritional studies using expert-knowledge and explainable AI

Potent efficacy of an NA-targeting antibody against a broad spectrum of H5N1 influenza viruses

Iizuchalasin A: A Marine Fungal Metabolite With a Cage‐Like Structure That Binds TarG to Inhibit Wall Teichoic Acid Biosynthesis by Multidrug‐Resistant <i>S. aureus</i>

ABSTRACT To address the ongoing Staphylococcus aureus drug resistance, we screened marine fungal extracts against a multidrug‐resistant strain and performed a metabolome analysis to identified new antibiotics with larger molecular size. Targeted isolation yielded eight merocytochalasans, including four new compounds ( 1 , 4 ‐ 6 ), structurally characterized by MS, NMR, and x‐ray single‐crystal diffraction data analysis. Compound 1 possessing a unique cage‐like symmetrical skeleton, effectively suppressed growth, adhesion, and virulence of methicillin‐resistant S. aureus (MRSA), demonstrated potent efficacy in reducing bacterial burden in a mouse skin infection model, and exhibited low resistance development potential. Mechanistically, 1 binds the transmembrane component of the ABC transporter TarGH, and inhibiting its ATPase activity.

Effect of root promoter on tobacco (Nicotiana tabacum L.) growth and nutrient accumulation at Hunan Province, China

Continental-scale drivers of soil microbial extracellular polymeric substances

Abstract Extracellular polymeric substances (EPS) are key microbial residues that contribute to soil organic carbon (SOC) and promote soil aggregation. Yet, their abundance and large-scale controls have only begun to be investigated. We conduct extensive soil sampling across a European transect spanning diverse climates, bedrocks, and land uses. Average soil EPS content is 956 ± 55 µg g -1 soil ( n = 92 sites), with EPS-carbon (EPS-C) contributing 1.6 ± 0.1% to SOC. Bedrock influences EPS content, EPS-C contribution to SOC, and the EPS-C/microbial biomass carbon (MBC) ratio, whereas land use mainly affects the latter two. The EPS-C/MBC ratio is negatively correlated with microbial growth and carbon use efficiency, and increases under water deficit, while EPS increases with MBC, clay content, and exchangeable calcium. Our results demonstrate that EPS represents a functionally important microbial residue, regulated by climatic, edaphic, microbial, and land-use factors, with significant implications for soil carbon cycling and sequestration.

Split‐Deliver‐Click: Tumor‐Specific Protein Degradation via “AND” Logic‐Gated In‐Cell Bioorthogonal Clicking of PROTACs

ABSTRACT PROteolysis TArgeting Chimeras (PROTACs) represents a promising therapeutic modality with the potential to revolutionize targeted protein degradation. However, challenges such as low bioavailability and off‐target effects significantly limit their clinical efficacy. Herein, we introduce a Split‐Deliver‐Click nanoplatform that enables tumor‐specific protein degradation through “AND” logic‐gated, in‐cell bioorthogonal clicking of PROTACs, inspired by the ternary structure of PROTACs and logic‐gated stimulus‐sensitive drug delivery. First, PROTACs were split with click‐reactive ligands, enabling their direct use in cellular assays for efficient PROTAC screening. Next, a delivery system was developed, utilizing an “AND” logic gate mechanism triggered by tumor‐overexpressed enzymes legumain and cathepsin B to separately activate and release the split PROTAC precursors. Finally, this approach permitted in‐cell click chemistry to generate PROTAC (Click‐PROTAC), achieving efficient and specific protein degradation. This Split‐Deliver‐Click strategy facilitated the in situ generation of PROTACs for precise protein degradation.

A sparrow search algorithm-optimized LSTM framework with EMD denoising for rolling element bearing remaining useful life prediction