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文献openalex2026-08-17cc-by-nc-nd

DFT exploration of solvation and lone pair effects on the second harmonic generation of circular π-conjugated macrocycles

This study investigates four series of dibenzothiophene-based cyclic systems (AZ-S1-S3, AZ-O1-O3, AZ-Se1-Se3, and AZ-N1-N3) that follow a D–π–D structure, having 1,2-bis(diazenyl)benzene as π bridges. The research employs density functional theory (DFT) and time-dependent DFT (TD-DFT) at D3-B3LYP,…

doi: 10.1038/s41598-026-67312-4source:openalex: https://openalex.org/W7203654646

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LP-CVD Fabrication of Silver Films on Liquid Surfaces for Surface-Enhanced Raman Scattering Detection

Silver nanostructured films are fabricated on the surface of 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid via a modified liquid-phase chemical vapor deposition approach, yielding highly uniform and reproducible surface-enhanced Raman scattering (SERS) substrates with excellent sensing…

doi: 10.1021/acsami.6c16234source:openalex: https://openalex.org/W7203654582

文献openalex2026-08-17cc-by-nc-sa

Impact of Palm Frond Particle Size on the Characteristics of Biodegradable Particleboard

Particleboard is a composite material based on lignocellulose that can be produced from agricultural waste, serving as an alternative to traditional wood products. This study utilized waste from oil palm fronds and empty fruit bunches as raw materials for the production of particleboard. The oil pa…

doi: 10.33504/jitt.v4i2.452source:openalex: https://openalex.org/W7203655351

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Multistimuli-Responsive Emissive Liquid Crystals with High-Contrast Mechanochromic and Solvatochromic Emission Based on Cyclometalated Platinum(II) Complexes with Fluoroalkylated Ligands

Abstract Luminescent liquid crystals based on cyclometalated Pt complexes have attracted considerable interest owing to their excellent emission properties that can be tuned in a targeted manner. Herein, we propose a robust approach for a simple design of multistimuli-responsive liquid-crystalline…

doi: 10.1021/acsaom.6c00363source:openalex: https://openalex.org/W7203655570

文献openalex2026-08-17cc-by

Molecular Energetics and Non-Isothermal Kinetics of Polystyrene Degradation: An Integrated Oligomeric DFT–TGA Study

Polystyrene (PS) thermal degradation involves localized molecular bond-cleavage events that are not directly equivalent to the apparent kinetic parameters obtained from bulk thermal analysis. In this study, a finite hydrogen-terminated PS oligomeric model was examined using density functional theor…

doi: 10.3390/microplastics5030163source:openalex: https://openalex.org/W7203655129

文献openalex2026-08-17cc-by

Keggin-Type Polyoxometalates as a Systematic Antiviral Scaffold: Activity, Cytotoxicity, and Solution Stability across Heteroion and Addenda Metal Variations

Abstract Polyoxometalates (POMs) are promising antiviral agents, yet systematic structure–activity relationships remain scarce and biological stability is rarely assessed. Here we report the antiviral activity, cytotoxicity, and solution speciation of 11 Keggin-type POMs spanning three compositiona…

doi: 10.1021/acs.jmedchem.6c01515source:openalex: https://openalex.org/W7203655275

文献openalex2026-08-17cc-by

Electron Mass Reorganization Transition (EMRT) in Strongly Correlated Materials

The effective mass m_star of charge carriers in strongly correlated electron systems is a central parameter governing their thermodynamic, transport, and magnetic behavior. Traditionally, m_star is considered a smoothly varying function of external control parameters such as pressure, doping, or ma…

doi: 10.5281/zenodo.21973058source:openalex: https://openalex.org/W7203655392

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AI-Assisted SERS Decoding of Dual Enzymatic Activity for Intraoperative Chemical Mapping of Epilepsy

Abstract Precision resection remains the definitive treatment for drug-resistant epilepsy, yet intraoperative demarcation of epileptic foci is hindered by the lack of rapid molecular imaging. Herein, we report a rapid, artificial intelligence (AI)-accelerated surface-enhanced Raman scattering (SERS…

doi: 10.1021/jacs.6c09984source:openalex: https://openalex.org/W7203654360

文献openalex2026-08-17cc-by

Revisiting medium-sized silicon clusters: new lowest-energy structures for $$\hbox {Si}_{18}$$, $$\hbox {Si}_{20}$$, $$\hbox {Si}_{30}$$, and $$\hbox {Si}_{32}$$ and correlated correction of DFT misassignments

Abstract Silicon clusters are prototype building blocks of nanoscale silicon materials, linking molecular chemistry with bulk semiconductor properties that underpin optoelectronics and quantum technologies. Herein, we revisit medium-sized silicon clusters through a workflow that combines machine-le…

doi: 10.1007/s00214-026-03329-2source:openalex: https://openalex.org/W7203652655

文献openalex2026-08-17cc-by

Electrostatic Dominance of Frontier Orbital Energies in Lanthanide Complexes

The 4f orbitals of lanthanides are shielded by filled 5s 2 5p 6 subshells, so that lanthanide–ligand bonding is often dominated by electrostatic interactions. Random forest models built from 31 composition-based descriptors, without any three-dimensional coordinates, predict the HOMO energies of 17…

doi: 10.26434/chemrxiv.15007502/v1source:openalex: https://openalex.org/W7203653842

文献openalex2026-08-17cc-by

Valorisation of Vegetal Biomass Residues in the Development of Sustainable Composites: An Alternative for Biodegradable Packaging

This study investigated the development of biopolymer films from bitter cassava starch (Manihot esculenta) and coconut mesocarp cellulose as a promising alternative for biodegradable packaging. The biopolymer film was prepared using the casting method, with glycerol as a plasticiser and Tween 80 as…

doi: 10.3390/jcs10080433source:openalex: https://openalex.org/W7203653411

文献openalex2026-08-17cc-by

E8 Phi-Harmonic Tetradic Chronometry Links 60-Fold Sexagesimal Lattice to Nibiru Cycles — E8 Intelligence Research

By projecting the 240 E8 root vectors onto a sexagesimal (base‑60) grid, the 60 tetrahedral clusters each generate a centroid frequency of 132 Hz·φⁿ, forming a coherent phi‑harmonic time‑crystalline lattice. This lattice naturally resonates with the 3600‑year Nibiru cycle, providing a geometric clo…

doi: 10.5281/zenodo.21973557source:openalex: https://openalex.org/W7203652716

文献openalex2026-08-17cc-by

Bioinspired Laser-Textured Aluminum Surfaces for Anti-Icing: Coupled Effects of Hydrophobic Coating Chemistry and Surface Morphology

Natural water-repellent surfaces use hierarchical texture and low surface energy to minimize liquid adhesion, and this principle has inspired engineered superhydrophobic surfaces for passive anti-icing. However, whether such bioinspired water-repellent architectures remain beneficial during freezin…

doi: 10.3390/biomimetics11080585source:openalex: https://openalex.org/W7203652745

文献openalex2026-08-17cc-by

Rheological Behavior and Processing of High-Performance Engineering Polymers

Advanced engineering applications increasingly demand high-performance polymers with exceptional mechanical and thermal properties; however, predicting their processing behavior remains challenging due to complex rheological responses and the lack of integrated experimental-simulation frameworks. T…

doi: 10.20944/preprints202608.1107.v1source:openalex: https://openalex.org/W7203652077

文献openalex2026-08-17许可待确认

Observation of wide-temperature magnetoresistance in bilayer La1.4Sr1.6Mn2O7 manganite

Abstract The temperature and magnetic field dependences of resistivity of polycrystalline bilayer manganite La1.4Sr1.7Mn2O7 are investigated. The system exhibits a an upturn in resistivity below 30 K and metal-insulator transition at TMI = 130 K. Weak charge localization, grain boundary and electro…

doi: 10.1088/1361-6463/ae9aa9source:openalex: https://openalex.org/W7203652619

文献openalex2026-08-17cc-by

Electron Mass Reorganization Transition (EMRT) in Strongly Correlated Materials

Effective mass m* is a central parameter in the description of quasiparticles in solid state systems. In conventional band theory, m* varies smoothly with external tuning parameters such as pressure, doping or magnetic field. However, in strongly correlated materials the electronic self‑energy can…

doi: 10.5281/zenodo.21973059source:openalex: https://openalex.org/W7203653138

文献openalex2026-08-17cc-by

Postmodern Physics of Hamzah Information.(182)

تحلیل بنیادین، بازنویسی تانسوری و اثبات جامعِ کامل سازوکار بازیابی در مواد هوشمند خودترمیم‌شونده (Mechanism of Autonomic Recovery in Self-Healing Soft Materials) در بستر فیزیک اطلاعات حمزه (HIP-1155) به شرح زیر است: ۱. مقدمه و پارادوکس خودترمیم‌شوندگی در ماده چگال نرم در فیزیک پلیمرها و ماده چگال ن…

doi: 10.5281/zenodo.21980136source:openalex: https://openalex.org/W7203652942

文献openalex2026-08-17cc-by

Biological Activities and Host-Response Insights of Ocimum basilicum Flower-Derived Silver Nanoparticles

Antimicrobial resistance and the limitations of conventional antimicrobial therapies have intensified the search for multifunctional nanoscale agents. Plant flowers are effective and sustainable biological materials for the eco-friendly synthesis of stable nanoparticles. In this study, Ocimum basil…

doi: 10.3390/inorganics14080216source:openalex: https://openalex.org/W7203653550

文献openalex2026-08-17cc-by

Hyperuniform isotope engineering of phonon transport: exact scaling laws and a stealthy transparency window in hexagonal boron nitride

Isotopic substitution is one of the few strictly mass-like perturbations available in a crystal: within the Born–Oppenheimer approximation the interatomic force constants are invariant under isotope exchange, so an isotope pattern modifies the dynamical matrix through the mass factors alone. This m…

doi: 10.5281/zenodo.21981511source:openalex: https://openalex.org/W7203653316

文献openalex2026-08-17cc-by

Directional Electron Condensation in Momentum Space

In conventional descriptions of electronic phases, condensation phenomena are almost exclusively tied to real‑space order parameters, such as charge density waves or magnetic order. Here we introduce a new paradigm – directional electron condensation (DEC) – in which electrons condense not in real…

doi: 10.5281/zenodo.21973298source:openalex: https://openalex.org/W7203653595