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A CD index guided ensemble framework for screening potentially disruptive patent candidates in artificial intelligence
Does Turnover Number Represent a Single Value or a Distribution?
Vibration-based condition monitoring, performance and emission evaluation of a diesel engine fueled with Karanja biodiesel
Abstract This study aims to experimentally investigate the performance, combustion, emissions, and vibration characteristics of a single-cylinder, four-stroke, water-cooled variable compression ratio (VCR) diesel engine fueled with diesel and Karanja biodiesel blends (B20 and B30). Experiments were conducted under varying engine load, compression ratio (CR), and hot exhaust gas recirculation (EGR-HOT) conditions. Engine vibration was evaluated using root mean square acceleration (RMS Accel), and a novel integrated approach was adopted to correlate vibration behavior with performance and emission characteristics. The results show that vibration increases with engine load but decreases with higher compression ratios, while under EGR conditions it initially decreases and then rises at higher rates. The results show that vibration increases with engine load but decreases with higher compression ratios, while under EGR-HOT conditions it initially decreases and then rises at higher rates. Compared to diesel, RMS acceleration decreased by 4.3 and 8.49% under load variation, 3.01 and 7.18% under CR variation, and 2.66 and 6.75% under EGR-HOT conditions for B20 and B30, respectively. Emission analysis revealed reductions of 13.3% in hydrocarbon (HC), 6.58% in carbon monoxide (CO), and 17.98% in smoke opacity for B30, although nitric oxide (Nox) increased by 15.8% as compared to diesel. Combustion analysis indicated a 3.43% increase in maximum cylinder pressure (CPMax) and a 14.94% decrease in net heat release (NHR). In terms of performance, brake thermal efficiency (BTHE) decreased by 10.74%, while brake-specific fuel consumption (BSFC) increased by 18.52%. Overall, the study demonstrates that biodiesel blends improve emission and vibration characteristics but slightly compromise performance, while the integrated analysis provides deeper insight into combustion behavior and engine condition.
Cyclodextrin-Derived Porous Liquids Enabled by In Situ Solvation Shell Formation
Abstract Porous liquids (PLs) represent a unique platform for molecular separations by combining permanent porosity with liquid-phase mobility. However, it remains a formidable challenge to construct and stabilize PLs with sub-5 Å pores using readily available porous host and liquid media. Here, we report the construction of cyclodextrin (CD)-derived PLs enabled by in situ solvation shell formation. The acid–base neutralization reaction between CD and an organic base was leveraged to generate a thin ionic solvation shell around the CD host, effectively liquefying CD and preventing its segregation in the liquid base medium while preserving accessible molecular-scale cavities. Spectroscopic analysis, neutron scattering, density functional theory calculations, and molecular dynamics simulations collectively confirm the structural evolution and existence of abundant internal porosity in PLs. The unique architectures of CD-derived PLs enable highly selective encapsulation of fluorinated alkanes and significantly enhanced uptake of inert gases. This facile and generalizable strategy enables construction of high-quality PLs with engineered ultramicroporosity to facilitate molecular separations.
Engineering Structural Transitions in a Multilevel Molecular Switch via Intermolecular Coupling
Abstract Controlling molecular conformations with atomic precision is essential for advancing molecular functional electronics, as well as our understanding of molecular dynamics. While switching between bistable molecular conformers is common in nature, creating systems with multiple, addressable states remains synthetically challenging. Here, we demonstrate a bottom-up strategy in which intermolecular interactions give rise to multilevel functionality within a simple two-molecule assembly. Using low-temperature scanning tunneling microscopy, we show that a pyrrolidine dimer on Cu(100) exhibits six distinct adsorption conformations, exceeding the four expected from two independent bistable units. This unusual complexity arises from the interplay between intermolecular van der Waals attraction and steric repulsion, which reshapes the potential energy landscape and changes a single high-energy transition into a sequential two-step pathway. Each step is driven by low-energy inelastic electron excitations, achieving a switching efficiency an order of magnitude higher than that of the monomer. By tuning the bias voltage and tip–molecule distance, we achieve deterministic control over multiple stable states, establishing a general design principle for on-demand engineering of collective molecular behavior and energy-efficient multilevel molecular devices.
Adaptive metabolic reprogramming conserves energy status in Antarctic giants
Lithio-Gel via Lithium Bonding: Mitigating Anode Failure by Blocking Crosstalk in Rechargeable Li–SOCl <sub>2</sub> Batteries
Trust and empathy toward artificial agents under task-language uncertainty
Oxyalkylation of Alkenes via Triple Radical Sorting
Correction: Basic emotions reported by individuals with persistent physical symptoms receiving exposure therapy versus healthy lifestyle promotion in primary care
Single Molecule Eu <sup>2+/3+</sup> Complex Platform for Optical and Magnetic Resonance Imaging In Vivo
Assessing patient awareness of bruxism before dental implant therapy
Asymmetric Self-Assembly of Functional Ionic Block Copolymers with Tailored Dense Charge Modification
Multi-scale environmental drivers of heron and egret colony assemblages in Korea using self-organizing map clustering
Phosphonium Ions as Activating Groups for the Selective Alkylation of Pyridines and Polyazines
Effect of subsequent passages on biofilm formation intensity, ALS genes expression, and cell surface hydrophobicity variability in clinical Candida albicans isolates
Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation
3D radiomics profiling of thyroid tumors using micro-CT
Abstract Tumor heterogeneity plays a central role in treatment resistance, disease progression, and diagnostic uncertainty. However, it may be overlooked by traditional 2D histology. Accurate 3D assessment of tumor microarchitecture is therefore important for capturing its spatial complexity. Micro-CT, a well-established imaging modality now emerging for high-resolution 3D virtual histology of soft tissues, provides a promising alternative. Combined with radiomics, this technique enables interpretable, quantitative characterization of tumor biology beyond visual inspection. In this study, we analyzed radiomics signatures of a large cohort of thyroid tumors (418 patients) using micro-CT imaging of tissue microarrays. We achieved robust classification of (i) neoplastic versus non-neoplastic thyroid tissues, (ii) papillary thyroid carcinoma versus follicular thyroid neoplasm, and (iii) BRAF V600E mutation status. Shapley additive explanations were used to reveal key visual traits driving these classification decisions. Exploratory analysis in a limited TERT cohort (8 mutated vs 103 wild-type) identified prospective radiomics patterns associated with TERT promoter mutations, suggesting potential surrogate imaging biomarkers that warrant further investigation. Micro-CT radiomics shows promise as a complementary tool for diagnostic classification in thyroid cancer and offers a platform for quantitative 3D tissue characterization pending broader validation.