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Urticaceae542 as a novel probe set combining universal and lineage-specific loci for phylogenomics of Urticaceae

Scientific Reports Han-Chun Chien, Yu-Hsin Tseng Dec 15, 2025 DOI: 10.1038/s41598-025-31584-z

Stabilizing Configurational Entropy in Spinel‐type High Entropy Oxides during Discharge–Charge by Overcoming Kinetic Sluggish Diffusion

Angewandte Chemie International Edition Ke Li, Lingfeng Shi, Jiale An et al. Dec 15, 2025 DOI: 10.1002/anie.202518569

Abstract Spinel‐type high entropy oxides (HEOs) have emerged as promising next‐generation lithium‐ion battery anodes owing to exceptional electrochemical performance. However, suppressing irreversible phase transformations caused by high‐entropy to low‐entropy state transitions during discharge–charge has remained challenging. The core issue stems from an insufficient understanding of phase evolution pathways and the key thermodynamic/kinetic driving forces, which is due to current methodological limitations in analyzing highly disordered structures. Further complicating this challenge is the elusive impact of nanosized effects on both thermodynamic and kinetic processes. This study addresses these challenges through three synergistic approaches: 1) investigating phase evolution mechanisms across different particle sizes to delineate nanosized effects; 2) resolving complex local structures by pair distribution function analyses and 7 Li magic‐angle spinning nuclear magnetic resonance spectroscopy; 3) elucidating influences of high entropy on phase evolution via DFT calculations. Comprehensive results reveal a complex phase evolution process governed by the thermodynamic‐kinetic interplay. The incomplete phase transformations of the rock‐salt‐like intermediate phase during discharge, which are attributable to high entropy‐mediated kinetic sluggish diffusion, account for the transition from high‐entropy to low‐entropy states. By shortening the solid‐state diffusion lengths, the kinetic limitations can be overcome, as demonstrated by nanosized spinel‐type HEOs achieving reversible phase transformations during discharge‐charge.

Experimental study and theoretical modelling based on DFT of the elimination of ceftriaxone by an activated carbon synthesized from grape seeds waste

Scientific Reports Sirine Mabrouk, Hatem Dhaouadi Dec 15, 2025 DOI: 10.1038/s41598-025-27184-6

Multi response optimization in MQL milling of GTD450 stainless steel using an integrated Taguchi grey relational analysis

Scientific Reports Masoud Saberi, Seyed Ali Niknam, Ali Hajaliakbari et al. Dec 15, 2025 DOI: 10.1038/s41598-025-27570-0

Cost‐Effective Scalable Production of Ultra‐Stable Alkyl MOF Featuring Single‐Molecule C <sub>3</sub> H <sub>6</sub> Trap for Record Capture of Trace C <sub>3</sub> H <sub>6</sub> from C <sub>2</sub> H <sub>4</sub>

Angewandte Chemie International Edition Miao Chang, Zitong Wang, Ruihan Wang et al. Dec 15, 2025 DOI: 10.1002/anie.202515496

Abstract Highly efficient capture of trace C 3 H 6 from C 2 H 4 by physisorbents remains an enormous challenge to combine top‐rank separation performance with excellent stability and economical scalability. We, herein, built a single‐molecule C 3 H 6 trap that bears an opposite series of oxygen and dense alkyl groups distributed in an ultramicroporous [Al(OH)(trans‐CDC)] (Al‐CDC, trans‐H 2 CDC = trans‐1,4‐cyclohexanedicarboxylic acid). The ultra‐stable trap with well‐matched pore size and pore chemistry enables a record uptake (40.8 cm 3 (STP) g −1 ) at ultralow concentration, Henry coefficient (12685.5 cm 3 (STP) g −1 bar −1 ), initial adsorption heat difference (27.2 kJ mol −1 ), adsorption kinetic (0.49 min −1 ) and kinetic selectivity (3.1) for C 3 H 6 with one of the highest initial C 3 H 6 adsorption heats (50.5 kJ mol −1 ) and selectivity (16.3), establishing a novel benchmark for capture of trace C 3 H 6 . The C 3 H 6 adsorption mechanism is deciphered to be thermodynamically driven owing to the synergism of multiple hydrogen‐bonding and van der Waals (vdW) forces. Breakthrough tests validate that Al‐CDC owns a record C 2 H 4 productivity (≥99.999%) of 410.5 cm 3 (STP) g −1 for trace C 3 H 6 capture with excellent reproducibility. The cost‐effective scalable production with the cheapest cost (508.9 $ kg −1 ) and highest space‐time yield (4564.8 kg m −3 day −1 ) and shaping of Al‐CDC is realized with unaffected structural property and capture performance.

Thermally stimulated depolarization currents (TSDC) characteristic of styrene butadiene rubber (SBR)–graphite composites

Scientific Reports F. S. Thabet, G. M. Nasr Dec 15, 2025 DOI: 10.1038/s41598-025-32109-4

Uphill Anion Transporters with Ultrahigh Efficiency Based on <i>N</i> ‐Heterocyclic Carbene Metal Complexes

Angewandte Chemie International Edition Yangyang Lin, Qin Fu, Zhuorui Kang et al. Dec 15, 2025 DOI: 10.1002/anie.202518136

Abstract Essential to the function of living systems, transmembrane ion transport in nature has inspired synthetic mimics that advance therapeutics, separations, sensing, and bioelectronics. Here, we report highly efficient and selective anion transport mediated by simple N ‐heterocyclic carbene (NHC) organometallic compounds. Using ruthenium (Ru) as the central metal and ion binding site, we systematically investigated seven classes of organoruthenium scaffolds and found that NHC‐based Ru complexes demonstrated exceptionally high activity and selectivity. Extending the study to more metals, NHC complexes of Pd, Ag, and Cu also exhibited remarkable transport efficiency, with the iPrPh‐NHC organocopper compound achieving an EC 50 as low as 3.6 pM, surpassing one of the most active ion transporters, prodigiosin. Notably, NHC‐based organometallic transporters leverage distinct kinetics of ligand binding and membrane diffusion to generate transmembrane potentials, and drive uphill ion transport reminiscent of proton pumps and ATPases. This work provides foundations for further development of organometallic ion transporters with high efficiency, tunable selectivity, and unique functions.

Realization of a compact mercury ion microwave clock with frequency stability of 6.3 × 10− 16

Scientific Reports Hao Liu, Yihe Chen, Jian Wang et al. Dec 15, 2025 DOI: 10.1038/s41598-025-30416-4

Improving nitrogen use efficiency in rice by estimating leaf nitrogen content with near-infrared spectroscopy and chemometric modeling

Scientific Reports Audberto Quiroga-Mosquera, Mariana Santos-Rivera, Diego Guzmán-Prada et al. Dec 15, 2025 DOI: 10.1038/s41598-025-27389-9

Mechanistic Insights into Adsorptive and Catalytic Reactions from Controllable Distributions of Metal Cations (Pd, Pt, Ni, Cr, Cu) as [M‐OH] <sup>+1</sup> /1Al or M <sup>+2</sup> /2Al in Zeolites

Angewandte Chemie International Edition Nicholas R. Jaegers, Miroslaw A. Derewinski, Eric D. Walter et al. Dec 15, 2025 DOI: 10.1002/anie.202516086

Abstract Anchoring divalent metal ions in the same zeolite framework with similar Si/Al ratio selectively as zeolite‐bound M +2 or [M +2 ‐OH] +1 cationic species enables critical comparison of the species’ intrinsic reactivity for industrially and fundamentally relevant reactions. H‐BEA zeolites with similar Si/Al ratios but differing framework Al siting were used to anchored multiple divalent metal cations (Ni, Pd, Pt, Cr, Cu) in the zeolite micropores. State‐of‐the‐art infrared (IR) spectroscopy, electron paramagnetic resonance (EPR) measurements, including two‐dimensional pulsed HYSCORE EPR, extended X‐ray absorption fine structure (EXAFS), and density functional theory (DFT) calculations together provide unambiguous evidence for the selective formation of divalent metal cations as M +2 /2Al species (for H‐BEA prepared in the conventional hydroxide media), and [M +2 OH] +1 /1Al species for H‐BEA prepared in HF. Solid‐state proton‐decoupled triple‐quantum magic‐angle spinning (3Q MAS) NMR measurements confirmed contrasting Al distributions in the two H‐BEA zeolites, which led to a contrasting divalent cation speciation. The reactivities of the two cationic species were explored for catalytic and adsorptive applications in both organometallic homogeneous and heterogeneous catalysis. This work demonstrates their divergent reactivity in ethylene dimerization, ethylene oxidation (Wacker process), selective catalytic reduction (SCR) of NO, NO adsorption, and methane oxidation. Both M +2 /2Al and [M +2 OH] +1 /1Al cations are both active for ethylene dimerization, but [M +2 OH] +1 /1Al species show higher reaction rates for each Pd, Ni, Pt. [M +2 OH] +1 /1Al is active for acetaldehyde formation in Wacker ethylene oxidation. A new active site for ethylene oligomerization is proposed that possesses a terminal OH group (Cr‐OH) in Phillips catalysts evident by a nearly inactive isolated Cr +2 /2Al species that contrast an active Cr─OH motif.

AI-embedded IoT healthcare optimization with trust-aware mobile edge computing

Scientific Reports Malak Alamri, Khalid Haseeb, Mamoona Humayun et al. Dec 15, 2025 DOI: 10.1038/s41598-025-29370-y

Evaluating multi-source precipitation data for streamflow simulation using the SWAT model in the Alpine Manas River Basin, Northwest China

Scientific Reports Li Tan, Chanjuan Zan, Tie Liu et al. Dec 15, 2025 DOI: 10.1038/s41598-025-27391-1

Modeling and kinetic analysis of structural disintegration and biodegradation of biocomposite cultivating pots from agricultural waste

Scientific Reports Manar E. Elashry, Elsayed G. Khater, Samir A. Ali Dec 15, 2025 DOI: 10.1038/s41598-025-30302-z

Abstract The growing global need for sustainable alternatives to synthetic plastics in agriculture has accelerated the development of biodegradable biocomposite cultivating pots derived from renewable agricultural residues. This study elucidates the biodegradation kinetics and structural disintegration mechanisms of cultivating pots formulated from palm wax, Lanette wax, and lignocellulosic fillers, including sugarcane bagasse, peat moss, compost, vermiculite, and activated carbon. The influence of mercerization pretreatment on degradation performance was systematically evaluated through disintegration assays, CO 2 mineralization measurements, FTIR–ATR spectroscopy, and advanced kinetic modeling. After 90 days of composting, disintegration reached 64.18%, 66.70%, 67.20%, and 59.73% for P, PW, L, and LW pots, respectively, while carbon mineralization attained 65.98%, 70.53%, 70.08%, and 77.00%, indicating substantial biodegradation activity. Lanette wax-based composites containing pretreated fibers exhibited the most pronounced biodegradation response. Three kinetic models (Hill Sigmoid, Keursten, and soil respiration) were employed to describe the biodegradation behavior, among which the Hill Sigmoid model provided the best fit (R 2  &gt; 0.97), accurately capturing the non-linear kinetics of carbon release. FTIR spectral analysis confirmed progressive cleavage of C–O, C–H, and C=O bonds associated with cellulose, hemicellulose, and waxy matrices, evidencing microbial depolymerization. Principal Component Analysis (PCA) revealed that the carbon-to-nitrogen ratio and electrical conductivity were the most influential parameters governing biodegradation dynamics. Although the pots did not fully achieve the ISO 20200:2015 criterion of 90% disintegration within 90 days, their substantial degradation rates underscore strong potential for application in short-cycle crop cultivation. This study introduces a combined kinetic multivariate analytical framework for evaluating biocomposite degradation, offering predictive insights into compositional functional relationships. The findings advance the scientific basis for designing next-generation compostable pots, promoting soil health, waste valorization, and circular bioeconomy strategies in sustainable agriculture. Further optimization of filler composition and incorporation of bioactive additives is recommended to accelerate degradation and enhance regulatory compliance.

Correction: Monitoring water vapor transport in near real-time with low-cost GNSS receiver network

Scientific Reports Jizhong Wu, Hongyang Ma, Wei Wu et al. Dec 15, 2025 DOI: 10.1038/s41598-025-28639-6

Three‐Segment Protein Labeling Using a Highly Efficient and Cysteine‐Less Split Intein Identified with Computational Prediction of Aggregation Properties

Angewandte Chemie International Edition Christoph Humberg, Jonas Kröger, Shmuel Pietrokovski et al. Dec 15, 2025 DOI: 10.1002/anie.202515821

Abstract Split inteins are versatile tools in protein engineering. We envisaged a new tandem protein trans ‐splicing (PTS) scheme to assemble a protein from three segments, of which each can be individually treated with regard to its cysteine oxidation or chemical labeling status. However, only a single highly efficient cysteine‐less split intein has been reported so far. Split intein activities are currently not predictable and require time‐consuming biochemical characterizations. We aimed to accelerate the discovery of novel split inteins with high splicing efficiency by computational sequence analysis. Inspired by our previous finding that linked reduced splicing efficiency of characterized split intein fragments to soluble, β‐sheet‐rich amyloid‐like aggregates, we confirmed the inverse correlation between predicted aggregation propensity and splicing efficiency for new intein candidates by size‐exclusion chromatography and biochemical analysis. The LCGC14 intein emerged as a second available cysteine‐less split intein with virtually quantitative splicing efficiency, significantly expanding protein engineering opportunities independent of thiol chemistries or in oxidizing conditions. We exploit the orthogonality to the cysteine‐less CLm intein to assemble proteins from three selectively labeled segments, as demonstrated for a trimodular non‐ribosomal peptide synthetase (NRPS). The prediction of split intein efficiency from their sequence is a significant advancement to streamline future discovery processes.

Characteristics of crack network catastrophe in highly weathered mudstone under hydro-mechanical disturbance: a cross-scale damage constitutive framework

Scientific Reports Honghuan Cui, Wei Wan, Biao Ma et al. Dec 15, 2025 DOI: 10.1038/s41598-025-32899-7

Deep Depolymerization of Lignin via Reductive Acidolysis Yielding Copious Aromatics Thoroughly Revealed by NMR Chromatography

Angewandte Chemie International Edition Qilu Hu, Ziyi Pei, Chuanyu Yan et al. Dec 15, 2025 DOI: 10.1002/anie.202511535

Abstract Depolymerization is the cornerstone of lignin valorization. Although this field of research has advanced significantly in the past decade, there are still obstacles preventing large‐scale application. The high cost of precious metal catalysts and the use of pressurized hydrogen gas account for some of the limitations. In this work, it is designed to synergize the reductive acidolytic power of hydrogen iodide and the advantageous physicochemical properties of ionic liquids (ILs) as green solvents for the deep depolymerization of real lignin. The results showed that nearly 100% of model compounds were converted in the reaction medium comprising 1‐butyl‐3 methylimidazolium iodide ([Bmim]I) plus organic acids and a yield up to 81 wt% of depolymerized products of low molecular weights was achieved for real lignins. In addition, a detailed structural assignment of the products was made straightforward by nuclear magnetic resonance chromatography. The advantages of the [Bmim]I/organic acids demonstrated in this study are featured by mild reaction conditions, easy scalability, and cost‐effectiveness, paving the way toward the democratization of lignin‐derived products.

Access to Inherently and Centrally Chiral Calix[4]Arenes via Rhodium‐Catalyzed C─H Activation and Insertion into Diverse Olefins and Alkynes

Angewandte Chemie International Edition Yunfei Yao, Fen Wang, Xiao‐Xi Li et al. Dec 15, 2025 DOI: 10.1002/anie.202520283

Abstract Inherently chiral calix[4]arenes are important scaffolds in asymmetric catalysis and sensing, yet their enantioselective synthesis remains challenging due to limited synthetic methodology and lengthy synthetic routes. By resorting to rhodium‐catalyzed C─H activation of calix[4]arene‐based carboxamides, atom‐economical construction of inherently chiral calix[4]arenes has been realized with alkenes, alkynes, and 1,3‐enynes as the coupling partner. Several classes of calix[4]arenes with inherent chirality (up to &gt; 99% ee) and integrated inherent and central chirality (up to 97% ee, &gt;20:1 dr) have been readily accessed under nearly unified conditions. Gram‐scale synthesis and diverse downstream transformations demonstrated the scalability and broad utility of this methodology to access other calix[4]arene‐fused heterocycles, such as isoquinoline and isoindolinone. Representative products exhibit promising fluorescence properties, suggesting potential applications in organic optoelectronics.

Advanced predictive modeling of municipal solid waste management using robust machine learning

Scientific Reports Ka Yin Chau, Massoud Moslehpour, Shin-Hung Pan et al. Dec 15, 2025 DOI: 10.1038/s41598-025-27237-w

RETRACTION: Adaptive Amphiphilic Dendrimer‐Based Nanoassemblies as Robust and Versatile siRNA Delivery Systems

Angewandte Chemie International Edition Dec 15, 2025 DOI: 10.1002/anie.202522627