MRS Communications最新文献

Modern strategies to deliver drugs efficiently via less toxic non-aqueous carriers like deep eutectic solvents (DES) has grown tremendously. Herein, we develop several synthetic and natural DES to improve solubility of poorly soluble drug, docetaxel (DTX). Menthol:thymol-based natural DES showed 1500-folds higher solubility for DTX than that in water. FTIR-spectroscopy confirmed reduced crystallinity and stable encapsulation of DTX in DES through formation of hydrogen-bond. DTX-DES was developed further into self-emulsified formulation that upon dilution formed nanostructured globules (< 200 nm) and released 20-folds higher DTX than pure drug thereby highlighting the potential of DES for designing formulations of poorly soluble drugs.

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This study explores the efficacy of using a simplified molecular input line entry system (SMILES) as the sole feature, replacing quantum chemical properties (QCP), in predicting corrosion inhibition efficiency (CIE) for N-heterocyclic compounds. The gradient boosting regressor (GBR) model outperforms k-nearest neighbors (KNN), support vector regression (SVR), and other models. SMILES accurately predicts CIE for various datasets, demonstrating potential as a standalone feature. Results indicate a moderate correlation between SMILES representation and corrosion inhibition properties. The proposed method identifies novel N-heterocyclic derivatives with high CIE, suggesting its utility in discovering corrosion inhibitors.

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An unreported rhenium-based calcium aluminum sodalite (CARe sodalite) has been synthesized by a traditional solid-state method. The rhenium is located in the sodalite β-cage and can be reduced under 5% H₂ forming gas without breaking the cage framework. Preliminary characterizations of the structural, optical, and magnetic properties are reported.

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In view of the paradigm shift toward data-driven research in materials science and engineering, handling large amounts of data becomes increasingly important. The application of FAIR (findable, accessible, interoperable, reusable) data principles emphasizes the importance of metadata describing datasets. We propose a novel data processing and machine learning (ML) pipeline to extract metadata from micrograph image files, then combine image data and their metadata for microstructure classification with a deep learning approach compared to a classic ML approach. The ML model attained excellent performances with and without metadata and bears potential for performance improvement of further use cases within the community.

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We have designed a polymer, hc-TBtd-COP incorporating a Wurster-type redox-active building unit for the in situ reduction and nucleation of platinum nanoparticles which forms an organic polymer-wrapped metal nanoparticle composite. This composite exhibits exceptional mass activity (MA) (about 5 times larger than 20% Pt/C at 0.9 V vs. RHE) and specific activity (SA) (approximately 2 times larger than 20% Pt/C at 0.9 V vs. RHE) for the oxygen reduction reaction. The efficient electrocatalysis results from higher catalytic site dispersion and superior atom utilization efficiency. This research contributes to the advancement of composite materials for enhanced electrocatalytic performance.

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Short-fiber-reinforced polymer composites offer advantages, like flexibility in complex geometries and cost-effectiveness, but typically exhibit lower mechanical properties because of the random orientation of short fibers. In this work, a novel process utilizing shear force to create 3D scaffold with customized fiber alignment for the manufacturing of short carbon fibers (SCF)-reinforced thermoset composites has been presented. The Computed tomography test confirmed the alignment of the SCF along printing directions. The results demonstrate that the aligned SCF-reinforced epoxy composites exhibited a 190% improvement in tensile strength and 388% improvement in tensile modulus compared to neat epoxy.

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Co₃O₄ nanorods and nanosheets were prepared via a facile fluorine-mediated hydrothermal method, followed by thermal conversion. Both the Co₃O₄ nanorods and nanosheets exhibited a spinel structure, assembling by 30 nm nanograin along one and two dimensions. The primary exposed facet of the Co₃O₄ nanorods was identified as (110), while the main exposed plane of the Co₃O₄ nanosheets was (112). Gas sensing results showed the Co₃O₄ nanorods sensor exhibited higher sensitivity. The Co₃O₄ nanorods sensor demonstrated excellent sensitivities to toluene and xylene at 200°C, making it a promising candidate for the detection of these specific volatile organic compounds.

We present our findings on organic field-effect transistors (OFETs) that utilize the conjugated copolymer poly[4-(4,4-dihexadecyl-4H-cyclopenta[1,2-b:5,4-b′]-dithiophen-2-yl)alt[1,2,5]thiadiazolo[3,4-c]pyridine] as the active material, with electrodes composed of arrays of carbon nanotubes (CNTs). We employed three types of source and drain electrodes: gold, titanium, and CNT array electrodes with titanium contact pads. A comparison of characteristics of OFETs using these three different electrodes revealed the effectiveness of CNTs in enhancing charge carrier injection for OFETs. The OFETs based on CNT electrodes showed a twofold increase in the drain current and a threefold increase in charge carrier mobility compared to those with gold electrodes.

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With their remarkably low thresholds, organic polariton lasers are a promising alternative to organic photonic lasers. However, device stability remains a challenge, in part due to material degradation during deposition of the top dielectric mirror. We demonstrate polariton lasers based on 4,4′-Bis(4-(9H-carbazol-9-yl)styryl)biphenyl (BSBCz) as active material that achieve a low lasing threshold of 8.7 μJ/cm², and we show that a ZrO₂ protection layer between active layer and top mirror significantly improves stability. Optimized devices exhibit minimal degradation after 100,000 excitation pulses at 3.8 times above threshold. Our findings establish BSBCz as an attractive candidate for future injection driven polariton lasers.

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