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文献openalex2026-08-21cc-by

Structural and biochemical insights into the thermostable esterase Ta0887 from Thermoplasma acidophilum

Microbial esterases are versatile and stable enzymes with a wide range of biotechnological applications. However, few esterases have been characterized from archaea, an important source of extremophilic enzymes. In this study, we report the biochemical characterization and crystal structure of Ta08…

doi: 10.1002/2211-5463.70327source:openalex: https://openalex.org/W7203997270
文献openalex2026-08-21许可待确认

Leveraging the Condensed Graph of Reaction for Clustering Retrosynthetic Pathways

Abstract Modern retrosynthetic tools can propose hundreds of alternative pathways for a single target, making it challenging to effectively explore and navigate the resulting route space. We present a CGR-based framework for the analysis and clustering of synthetic routes that integrates both targe…

doi: 10.1021/acs.jcim.6c00489source:openalex: https://openalex.org/W7203997436
文献openalex2026-08-21许可待确认

Ultrasensitive SERS Detection of Amoxicillin Based on the AgNPs/WS2/AgNPs Hybrid Substrate

Abstract Amoxicillin is one of the most widely used antibiotics in modern clinical practices and agricultural breeding. However, it is well documented that high clinical doses of amoxicillin exert carcinogenic, teratogenic, and mutagenic effects in preclinical studies. Therefore, it is essential to…

doi: 10.1021/acs.jpcc.6c03365source:openalex: https://openalex.org/W7203997364
文献openalex2026-08-21cc-by-nc

Development and Characterization of pH-Sensitive Starch/Pectin/DES Films with Purple Cabbage Anthocyanins for Food Spoilage Detection

Innovations in food packaging are increasingly employing smart indicators to boost safety, monitor quality, and minimize waste. However, most of synthetic dyes in indicator systems can leach harmful substances into food. This study developed a natural, biodegradable pH-indicator film using starch-p…

doi: 10.56532/mjsat.v6is1.793source:openalex: https://openalex.org/W7203996376
文献openalex2026-08-21许可待确认

Sputtered GDC Barrier Layers Enable High Performance and Durable 5 × 5 cm2 Solid Oxide Electrolysis Cells

Abstract Thin-film gadolinia-doped ceria (GDC) barriers deposited by magnetron sputtering offer a dense, interdiffusion-free alternative to conventional screen-printed layers, but their performance and durability in large-area, metallic testing environments remain largely undemonstrated. In this st…

doi: 10.1021/acsaenm.6c00618source:openalex: https://openalex.org/W7203996784
文献openalex2026-08-21许可待确认

Kinetic and Thermodynamic Control of Macrocyclic Peptide Conformation through Late-Stage Chemical Modification

Abstract We describe the use of lactone ring-opening as a chemical tool for producing differentiated conformations of macrocyclic peptides. Under kinetic control, the lactone opening is highly atroposelective across macrocyclic precursors tested. Under thermodynamic control, reversible lactone open…

doi: 10.1021/jacs.6c12741source:openalex: https://openalex.org/W7203995145
文献openalex2026-08-21cc-by

Influence of Hybrid Co‐wrapped Yarn Structure on the Energy Absorption and Crack Propagation Resistance of Fiber‐Reinforced Composites

ABSTRACT Hybrid cowrapped (CW) yarns were engineered to enhance the impact resistance and damage tolerance of fiber‐reinforced composites. To achieve synergetic mechanical properties, fibers with different failure strains were combined using the cowrapping technique. Four different hybrid yarn conf…

doi: 10.1002/pc.71541source:openalex: https://openalex.org/W7203995785
文献openalex2026-08-21许可待确认

Solid–Liquid Phase Equilibrium in the Ternary Systems C6H5B(OH)2 + KCl/RbCl/CsCl + H2O at 298.15 and 348.15 K

Abstract The phase equilibria of ternary systems phenylboronic acid (C6H5B(OH)2) + KCl/RbCl/CsCl + H2O were investigated at 298.15 and 348.15 K using a direct isothermal dissolution equilibrium method with mannitol-NaOH titration. Solid phases were characterized by Schreinemakers’ wet method, XRD,…

doi: 10.1021/acs.jced.6c00361source:openalex: https://openalex.org/W7203995816
文献openalex2026-08-21许可待确认

Rapid, Low-Cost, Low-Temperature Pyrazole-Flux Synthesis of Imide Covalent Organic Frameworks for Uranium/Rare Earth Separation

Abstract High-crystalline imide covalent organic frameworks (COFs) are highly desirable owing to their outstanding robust nature; however, their practical applications are hindered by the rigorous synthesis conditions, such as the use of massive toxic solvents, high reaction temperature, and long r…

doi: 10.1021/jacs.6c12938source:openalex: https://openalex.org/W7203996852
文献openalex2026-08-21许可待确认

Revealing the Heterogeneity of Free OH Groups at the Air–Water Interface via Neural Network-Based Simulation

Abstract The orientational distribution and dynamic properties of free hydroxyl (OH) groups are crucial for understanding the air–water interface. However, ongoing debates persist regarding their orientation and energy relaxation, primarily because the structural and dynamic heterogeneity of these…

doi: 10.1021/acs.jpcb.6c03497source:openalex: https://openalex.org/W7203995112
文献openalex2026-08-21许可待确认

Modular Composition-to-Structure Machine-Learning Workflow for Hypothesis Generation in Lithium Solid Electrolytes

Abstract Machine-learning screening of lithium solid electrolytes is often performed either at the composition level, where polymorph-dependent transport cannot be represented, or within fixed crystal-structure databases, where unexplored compositions and structures are inaccessible. Here, we prese…

doi: 10.1021/acs.jpcc.6c02979source:openalex: https://openalex.org/W7203993692
文献openalex2026-08-21cc-by

Development and In Vitro Efficacy of Macrophage-Targeted Nanoparticles Encapsulating Vitamin E Derivatives Garcinoic Acid and α-13′-Carboxychromanol

Abstract Garcinoic acid (GA), a phytomolecule and long-chain metabolite of δ-tocotrienol, and its analogue α-13′-carboxychromanol (α-13′-COOH), derived from α-tocopherol metabolism, are bioactive compounds involved in the regulation of various processes, including immune function and inflammatory r…

doi: 10.1021/acsomega.6c01032source:openalex: https://openalex.org/W7203994033
文献openalex2026-08-21cc-by

Barium Crosslinking in Bio‐Based Sodium Alginate Films: Improved Barrier and Thermal Performance Toward Biodegradable Packaging Applications

ABSTRACT Growing environmental concerns associated with petroleum‐based plastics have intensified the demand for sustainable, biodegradable materials for packaging applications. Sodium alginate is a natural polysaccharide with excellent biodegradability, biocompatibility, and film‐forming ability;…

doi: 10.1002/app.71390source:openalex: https://openalex.org/W7203994726
文献openalex2026-08-21许可待确认

Machine-Learning-Guided Design of Pd–Au Electrocatalysts for the Oxygen Reduction Reaction

Abstract Machine learning has significantly reduced the computational power necessary to estimate the free energy of adsorption of key reaction intermediates on a diverse range of catalytic surfaces. Nevertheless, translating this computational capability into the discovery and experimental validat…

doi: 10.1021/acsaem.6c02281source:openalex: https://openalex.org/W7203992501
文献openalex2026-08-21cc-by

Adamantane Self-Assembly Templates Size-Selective Ion-Transport Domains in Solid-State Organic Electrolytes

Abstract Ion transport in nanostructured materials is critical to numerous applications. In most solid-state ion conductors, polymers, and conventional ionic liquids, ion mobility is closely linked to the strength of ion coordination site interaction energies, which are dictated by ion size and val…

doi: 10.1021/acsnano.6c08168source:openalex: https://openalex.org/W7203993314
文献openalex2026-08-21cc-by-nc

Structural, Electrical, Mechanical and Morphological Characterization of Methylcellulose–Magnesium Triflate (MgTf) Electrolyte Films with Deep Eutectic Solvent

As an alternative to traditional liquid electrolytes, polymer electrolytes (PEs) have recently attracted attention, partly because they show high safety, sustainability in the environment, and design flexibility in new-generation energy storage devices. The present research work is devoted to study…

doi: 10.56532/mjsat.v6is1.790source:openalex: https://openalex.org/W7203994637
文献openalex2026-08-21cc-by

Accurate and Efficient NMR Crystallography through Machine-Learning Geometry Optimization and Shielding Prediction

Abstract We evaluated a fully machine-learning-assisted workflow for NMR crystallography by combining the Universal Model for Atoms (UMA) interatomic potential for crystal structure optimization with the ShiftML3 prediction of solid-state NMR shieldings. Benchmarking against conventional periodic d…

doi: 10.1021/acs.jpclett.6c02446source:openalex: https://openalex.org/W7203994901
文献openalex2026-08-21cc-by

3D-Printed Wearable Strain Sensors Utilizing Deep Eutectic Solvents and Fumed Silica Nanoparticles

Abstract Dry ionic elastomers based on polymerizable deep eutectic monomers (DEMs) have attracted increasing attention for flexible strain-sensing applications; however, their direct fabrication from printable ink formulations into functional sensors remains limited. In this study, we developed a p…

doi: 10.1021/acs.langmuir.6c04150source:openalex: https://openalex.org/W7203993361
文献openalex2026-08-21许可待确认

Microplastic-Derived Dissolved Organic Matter: Environmental Chemistry and Ecological Consequences

Abstract Microplastics (MPs) are widely recognized as particulate hazards, yet environmental aging releases a time-evolving pool of MP-derived dissolved organic matter (MP-DOM) that engages in photochemical and redox reactions. This work provides a critical overview of the aging mechanisms of MPs a…

doi: 10.1021/acs.est.5c15499source:openalex: https://openalex.org/W7203990672