文献openalex2026-08-21cc-by
Polymer-based composites containing high-atomic-number fillers have attracted considerable interest as potential lead-free radiation shielding materials. However, direct comparisons of different polymer matrices under identical computational conditions remain limited, making it difficult to isolate…
doi: 10.1016/j.jrras.2026.102627source:openalex: https://openalex.org/W7203933927
文献openalex2026-08-21许可待确认
Abstract Installations of the 3,5-di(pyrrol-2-yl)BODIPY strap across the meso position of B(III) submonoazaporphyrin, B(III) subporphyrin, and Ni(II) porphyrin resulted in the formation of expanded porphyrins with a dual electronic network consisting of a local diatropic ring current of the origina…
doi: 10.1021/acs.orglett.6c03188source:openalex: https://openalex.org/W7203935531
文献openalex2026-08-21cc-by
The inherent complexity and lack of a unified description within the field of catalysis have presented a significant challenge to understanding and predicting catalytic behavior. This work proposes a novel framework, the Universal Catalyst Genome (UCG), to address this issue. The UCG posits that ea…
doi: 10.5281/zenodo.22039871source:openalex: https://openalex.org/W7203933253
文献openalex2026-08-21cc-by
This paper introduces the concept of Molecular Phase Space Reconstruction (MPSR), a novel approach to understanding chemical systems that addresses the limitations of traditional methods. The core idea centers on moving beyond representing molecules as static structures and instead conceptualizing…
doi: 10.5281/zenodo.22039652source:openalex: https://openalex.org/W7203935062
文献openalex2026-08-21cc-by
ABSTRACT Food preservation is achieved through the use of preservatives alongside preservation technologies to ensure food safety, quality, and shelf life by inhibiting microbial growth, oxidation, and enzymatic breakdown. Preservatives are classified as natural or synthetic, each with distinct pro…
doi: 10.1002/fci2.70090source:openalex: https://openalex.org/W7203935168
文献openalex2026-08-21许可待确认
Thermal transport in crystalline solids generally occurs via particle-like phonon propagation. Here, we demonstrate the dominant unusual wave-like phonon transport and high thermoelectric figure-of-merit (zT) of ∼1.42 at 673 K in crystalline TlCu 5 Se 3 due to the strong anharmonicity exerted by co…
doi: 10.1126/sciadv.aeh9096source:openalex: https://openalex.org/W7203934294
文献openalex2026-08-21cc-by
This paper proposes the theory of Molecular Law Reconstruction, shifting the focus from AI-driven molecular prediction to the automated discovery of minimal chemical laws from observational data. Instead of aiming to predict molecules, the core objective is to reconstruct the fundamental laws gover…
doi: 10.5281/zenodo.22038984source:openalex: https://openalex.org/W7203934354
文献openalex2026-08-21cc-by-nc
The present study introduces a colorimetric immunosensor for the detection of bone turnover biomarker C-terminal telopeptide of type I collagen (CTX-1), which is one of the prominent biomarkers in osteoporotic conditions. Elevated CTX-1 level increases the fracture risk to approximately 2-folds as…
doi: 10.1016/j.nxmate.2026.103251source:openalex: https://openalex.org/W7203933082
文献openalex2026-08-21许可待确认
Silver nanoparticles (AgNPs) were synthesised using an aqueous seed kernel extract of Entada rheedii Spreng. and evaluated for physicochemical characteristics and selected catalytic and biological activities. Nanoparticle formation was assessed by Fourier-transform infrared spectroscopy, X-ray diff…
doi: 10.9734/ajb2t/2026/v12i3323source:openalex: https://openalex.org/W7203935382
文献openalex2026-08-21cc-by
Bacteria of the Bacillus genus are known in agroecology as a powerful tool for biocontrol due to their ability to produce secondary metabolites that have a suppressive effect on many phytopathogens. This work demonstrates an environmentally friendly approach to the synthesis of silver nanoparticles…
doi: 10.15407/hftp17.03.378source:openalex: https://openalex.org/W7203934165
文献openalex2026-08-21许可待确认
Concentrated latex processing facilities are confronted with issues related to high residual phosphate levels in latex. This study was conducted to determine the effects of ammonia preservative systems on residual phosphate levels. Two grades of CL namely, 0.7% ammoniated CL (HACL) and the 0.2% amm…
doi: 10.4038/jrrisl.v103i1.1916source:openalex: https://openalex.org/W7203932925
文献openalex2026-08-21cc-by
This paper introduces Chemical Category Theory (CCT), a novel framework for understanding and unifying molecular phenomena using the principles of category theory. CCT posits that molecules are treated as objects within a category, with morphisms representing chemical reactions and transformations.…
doi: 10.5281/zenodo.22039560source:openalex: https://openalex.org/W7203934311
文献openalex2026-08-21cc-by-nc-nd
Carbon Quantum Dots (CQDs) have emerged as a prominent class of carbon-based nanomaterials for optoelectronic applications. In this work, the electronic structure of N, O co-doped CQDs with a carboxylic acid functional group was extensively studied via First-Principles density functional theory com…
doi: 10.1007/s44371-026-00927-8source:openalex: https://openalex.org/W7203931223
文献openalex2026-08-21cc-by
This white paper covers jewelry and arts workflows using direct-print, castable and specialty-finish 3Dresyns materials. Jewelry and arts applications require a combination of detail reproduction, surface finish, colour, burnout behaviour, flexibility or rigidity, wax-like handling where relevant a…
doi: 10.5281/zenodo.22047990source:openalex: https://openalex.org/W7203931200
文献openalex2026-08-21cc-by
Wurtzite zinc oxide is a reference wide-band-gap oxide for optoelectronics, yet density functional studies of its cation substitution remain fragmented and contradictory. This review critically synthesises first-principles results on Fe- and Mg-doped ZnO, two substituents of opposing chemistry: Fe,…
doi: 10.33003/fjs-2026-1014-5734source:openalex: https://openalex.org/W7203932214
文献openalex2026-08-21cc-by
This paper introduces the Chemical Hidden Variable Theory (CHVT), a novel approach to theoretical chemistry predicated on the belief that existing chemical theories fundamentally lack crucial variables. Drawing an analogy with the historical search for hidden variables in quantum mechanics, CHVT po…
doi: 10.5281/zenodo.22038755source:openalex: https://openalex.org/W7203930905
文献openalex2026-08-21cc-by
By imposing φ-scaled golden ratio phase rotations on the 240 E8 root vectors within the 132Hz base lattice, the geometry self-organizes into a non-Abelian information manifold where each root encodes a quantized logical state via its zero-divisor closure. This creates a deterministic yet non-period…
doi: 10.5281/zenodo.22039924source:openalex: https://openalex.org/W7203932236
文献openalex2026-08-21cc-by
Conventional coordinate-based machine-learned interatomic potentials are single-valued, limiting their applicability to systems in which only a single charge state exists. Here, we introduce a charge-state-aware machine-learned molecular dynamics (MLMD) framework in which distinct charge-localized…
doi: 10.26434/chemrxiv.15007718/v1source:openalex: https://openalex.org/W7203931878
文献openalex2026-08-21cc-by
This paper introduces the Universal Reaction Compression (URC) theory, a novel approach to tackling the computational challenges inherent in simulating complex chemical reactions. The core principle of URC rests on the identification of a Minimal Reaction Basis (MRB) for any given reaction network,…
doi: 10.5281/zenodo.22039568source:openalex: https://openalex.org/W7203931773
文献openalex2026-08-21cc-by-nc-nd
Plant-extract-mediated green synthesis of silver nanoparticles (AgNPs) has emerged as a promising and sustainable approach aligned with the demand for environmentally responsible methods. This study critically reviews key physicochemical parameters pH, temperature, and reagent concentration that go…
doi: 10.1186/s44331-026-00033-7source:openalex: https://openalex.org/W7203931364