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文献openalex2026-08-19cc-by

A pyridoxal phosphate-dependent enzyme platform for stereoselective synthesis of γ-tertiary-nitro-noncanonical amino acids

Abstract Non-canonical amino acids (ncAAs) are privileged building blocks for the synthesis of natural products, biocatalysts, and drug molecules. Among them, γ-tertiary-nitro-α-amino acids are highly valuable yet remain scarcely explored due to challenges in synthetic accessibility. Although pyrid…

doi: 10.1038/s41467-026-76813-9source:openalex: https://openalex.org/W7203738787
文献openalex2026-08-19许可待确认

Halide Engineering in Low‐Dimensional Perovskites (BA) 2 PbX 4 (X═Cl, Br, I): Insights Into Structural and Optical Properties for Optoelectronic Applications

ABSTRACT 2D Ruddlesden‐Popper perovskites exhibit strong excitonic behavior, but their performance is simultaneously governed by exciton‐phonon coupling and lattice dynamics. Here, we investigate the halide‐dependent lattice dynamics and its influence on exciton behavior in butylammonium‐based low‐…

doi: 10.1002/adom.71632source:openalex: https://openalex.org/W7203739340
文献openalex2026-08-19cc-by

EXP3-II Rediseño y Caracterización Dimensional del Blister

Este póster científico presenta un estudio de ingeniería de calidad enfocado en el empaque primario (blister) utilizado para los catéteres Sure Pro. El trabajo surge porque el molde original (Revisión A), tras uso prolongado, comenzó a mostrar variabilidad dimensional, y al no existir especificacio…

doi: 10.5281/zenodo.22003820source:openalex: https://openalex.org/W7203738628
文献openalex2026-08-19许可待确认

Upcycling of PET Waste by Incorporating a Malic Acid-Based Monomer for High Performance and Chemically Recyclable Copolyesters

Abstract Herein, a highly rigid monomer, 2-(2-hydroxyethyl)-1,3-dioxoisoindoline-5-carboxylic acid (HTI), was readily prepared from biosourced malic acid. A series of PET copolyesters were fabricated through an in situ chemical upcycling strategy, in which HTI units were inserted into the backbones…

doi: 10.1021/acsmacrolett.6c00302source:openalex: https://openalex.org/W7203739021
文献openalex2026-08-19cc-by

Atomic Structure Self-Repair

This paper proposes a novel theoretical framework, termed Atomic Structure Self-Repair (ASSR), centered around the inherent capacity of atomic structures to autonomously recover from perturbations. The core concept posits that atoms possess internal, adaptive algorithms that, upon encountering dist…

doi: 10.5281/zenodo.22007362source:openalex: https://openalex.org/W7203739112
文献openalex2026-08-19cc-by

Early Experiences Using AI Software Agents on OLCF Systems: From Installation and Environments to Simulation Workflows for Molecular and Materials Sciences

Scientific workflows on large computing clusters increasingly combine massively parallel simulation engines, machine-learned models, and theory development with the technical aspects of installation, testing and debugging, batch scheduling, and designing architecture-specific GPU-accelerated softwa…

doi: 10.20944/preprints202608.1323.v1source:openalex: https://openalex.org/W7203737802
文献openalex2026-08-19许可待确认

A Tri‐Spiral‐Mediated Spatial Hybrid LRCT/SRCT Strategy for High‐Efficiency Narrowband Blue Emitters

ABSTRACT The conventional hybrid strategy that directly links long‐range charge‐transfer (LRCT) and short‐range charge‐transfer (SRCT) units through a single bond inevitably induces an uncontrollable electron push–pull effect, resulting in emission redshift and spectral broadening. In this study, w…

doi: 10.1002/ange.3174728source:openalex: https://openalex.org/W7203737918
文献openalex2026-08-19cc-by-nc

Rapid and accurate solubility determination of poorly soluble drug molecules by co-solvent extrapolation

M and below) represents additional challenges. In this paper, we first describe a fast and reliable method to measure aqueous solubility of drug-like molecules in a 96-well plate format using only conventional laboratory equipment and a UV absorbance plate reader. The method was validated against t…

doi: 10.1016/j.ijpharm.2026.127325source:openalex: https://openalex.org/W7203737943
文献openalex2026-08-19cc-by

Title: Electron Pathway Phase Transition (EPPT) in Quantum Materials

Electron motion in crystalline solids is conventionally described in terms of Bloch states that occupy well‑defined energy bands. In many quantum materials, however, the actual trajectories followed by electrons can be highly non‑trivial, involving coherent superpositions, topological constraints,…

doi: 10.5281/zenodo.22005381source:openalex: https://openalex.org/W7203738161
文献openalex2026-08-19许可待确认

Photon-Counting CT With Low-keV Virtual Monoenergetic Images for Detecting Muscle Invasion in Bladder Cancer: A Prospective Study

Background: CT is limited for local staging of bladder cancer due to insufficient soft-tissue contrast. Photon-counting detector (PCD) CT with low-keV virtual monoenergetic images (VMIs) provides greater lesion contrast with acceptable image noise and high resolution and may aid assessment for musc…

doi: 10.2214/ajr.26.35310source:openalex: https://openalex.org/W7203737543
文献openalex2026-08-19cc-by

Degradation rates and pathways of ciprofloxacin with a composite of β-Ga2O3 nanoparticles and nanocellulose hydrolyzed from Azanza garckeana fruit fibers

The photocatalytic degradation of Ciprofloxacin (CIP) was evaluated under ultraviolet photo irradiation and a composite of β-Ga2O3 with nanocellulose citrate-capped fibers (CNCFs) at an 80:20 weight ratio (β-Ga2O3/20%CNCFs). At a dosage of 2 mg photocatalyst and optimized conditions, the CIP degrad…

doi: 10.6084/m9.figshare.33286793.v1source:openalex: https://openalex.org/W7203737921
文献openalex2026-08-19许可待确认

Enhanced Photocatalytic Hydrogen Production Assisted by Seawater Ions

ABSTRACT Photocatalytic hydrogen production from water, particularly seawater, offers a promising route for converting solar energy into storable chemical fuels. However, despite considerable efforts in photocatalyst design, the influence of seawater ions on photocatalytic processes remains poorly…

doi: 10.1002/anie.3256076source:openalex: https://openalex.org/W7203737403
文献openalex2026-08-19cc-by

Ex-Ante Lifecycle Polymer Design Objective (ELPDO)

This paper develops a revised mathematical solution framework for the chemistry challenge "How can life-cycle chemistry be integrated into polymer design before a material is manufactured?". The proposed Ex-Ante Lifecycle Polymer Design Objective (ELPDO) was constructed after an earlier formulation…

doi: 10.5281/zenodo.22016132source:openalex: https://openalex.org/W7203736693
文献openalex2026-08-19许可待确认

Development of single fiber electrodes modified with 2D nanomaterial derived polydopamine for application in non-invasive electrochemical (bio)sensors

Analytical devices based on pyrolyzed biomass have gained increasing attention in analytical chemistry due to their low cost, high electrical conductivity, intrinsic filtration capability, and high sensitivity. However, they still exhibit significant variations in electrochemical responses, both fa…

doi: 10.48321/d1ef7b1376source:openalex: https://openalex.org/W7203737081
文献openalex2026-08-19许可待确认

Facile C≡O Triple Bond Cleavage of Carbon Monoxide by a Mononuclear Uranium Borohydride Complex

Complete scission of the C≡O triple bond in carbon monoxide by an actinide complex has so far been restricted to multimetallic nitride-bridged systems, where the reaction proceeds via formation of strong C─N multiple bonds. Here we report an alternative mode of complete CO cleavage mediated by a mo…

doi: 10.1002/anie.1233737source:openalex: https://openalex.org/W7203737282
文献openalex2026-08-19cc-by

An exactly solvable Markov chain with a fully characterized lumping lattice: equilateral geometry, three-eigenvalue spectrum, and exact coarse-grained relaxation

Coarse-graining a Markov chain by merging microstates (lumping) almost always destroys Markovianity: the reduced dynamics acquires memory, and exact reduced descriptions require semi-Markov constructions. We introduce and solve a class of reversible finite Markov chains for which the opposite extre…

doi: 10.5281/zenodo.22005087source:openalex: https://openalex.org/W7203736869
文献openalex2026-08-19许可待确认

Electrooxidation of 5-(Hydroxymethyl)furfural to 2,5-Furandicarboxylic Acid: A Comprehensive Interplay between Mechanistic Understanding and Advanced Catalyst Design

Abstract Electrocatalytic oxidation of biomass-derived platform molecules represents a pivotal strategy for chemical production and reducing reliance on fossil resources. Among various biomass-derived platforms, 5-(hydroxymethyl)furfural (HMF) stands out as one of the most promising candidates. Its…

doi: 10.1021/acscatal.6c04511source:openalex: https://openalex.org/W7203736945
文献openalex2026-08-19cc-by

Cucurbit[8]uril Couples Enzymatic and Supramolecular Reaction Networks for Peptide Isomerization and Recognition in Gain-of-Function Hydrogels

Adaptive biological systems regulate molecular recognition through enzymatic transformations that convert inactive precursors into functional states. Emulating such enzyme mediated gain-of-function behavior in synthetic supramolecular systems remains challenging because productive activation often…

doi: 10.26434/chemrxiv.15007664/v1source:openalex: https://openalex.org/W7203736839
文献openalex2026-08-19cc-by

Electron Quantum Geometric Pressure

The concept of quantum geometric pressure (QGP) is introduced as a novel form of internal force that arises purely from the geometric deformation of electronic band structures. In a many‑electron system, changes in the lattice geometry or external strain modify the quantum metric and Berry curvatur…

doi: 10.5281/zenodo.22005289source:openalex: https://openalex.org/W7203737173
文献openalex2026-08-19cc-by-nc-nd

Crystalline SiO2 bonded coating enhances the high-temperature resistance of γ-Ce2S3 red pigment

Aiming at the critical bottleneck of γ-Ce 2 S 3 red pigment being prone to oxidation and discoloration in high-temperature environments, this study proposes a homogeneous coprecipitation strategy based on the slow release of urea to achieve synchronous hydrolysis-condensation of cerium and silicon…

doi: 10.1016/j.nxmate.2026.103239source:openalex: https://openalex.org/W7203736345