End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction.

Powder X-ray diffraction (PXRD) is a prevalent technique in materials characterization. While the analysis of PXRD often requires extensive human manual intervention, and most automated method only achieved at coarse-grained level. The more difficult and important task of fine-grained crystal structure prediction from PXRD remains unaddressed.

Unipolar Barrier Photodetectors Based on Van Der Waals Heterostructure with Ultra-High Light On/Off Ratio and Fast Speed.

Unipolar barrier architecture is designed to enhance the photodetector's sensitivity by inducing highly asymmetrical barriers, a higher barrier for blocking majority carriers to depressing dark current, and a low minority carrier barrier without impeding the photocurrent flow through the channel. Depressed dark current without block photocurrent is highly desired for uncooled Long-wave infrared (LWIR) photodetection, which can enhance the sensitivity of the photodetector. Here, an excellent unipolar barrier photodetector based on multi-layer (ML) graphene (G) is developed, WSe, and PtSe (G-WSe-PtSe) van der Waals (vdW) heterostructure, in which extremely low dark current of 1.

Weighted Echo State Graph Neural Networks Based on Robust and Epitaxial Film Memristors.

Hardware system customized toward the demands of graph neural network learning would promote efficiency and strong temporal processing for graph-structured data. However, most amorphous/polycrystalline oxides-based memristors commonly have unstable conductance regulation due to random growth of conductive filaments. And graph neural networks based on robust and epitaxial film memristors can especially improve energy efficiency due to their high endurance and ultra-low power consumption.

Grouping of chemicals for safety assessment: the importance of toxicokinetic properties of salicylate esters.

Grouping of chemicals has been proposed as a strategy to speed up the screening and identification of potential substances of concern among the broad chemical universe under REACH. Such grouping is usually based on shared structural features and should only be used for the prioritization objectives. However, additional considerations (as well as structural similarity) are needed, e.

CsAgBiBr and related Halide double perovskite porous single crystals.

The utilization of single crystals is exponentially growing in optoelectronic devices due to their exceptional benefits, including high phase purity and the absence of grain boundaries. However, achieving single crystals with a porous structure poses significant challenges. In this study, we present a method for fabricating porous single crystals (porous-SC) of CsAgBiBr and related halide double perovskites using an infrared-assisted spin coating technique.

Influence of elevation angle of tundish filter on removal rate of impurity in molten steel.

To investigate the effect of the filter device on the cleanliness of molten steel and the flow field distribution within the tundish. The tundish filters were designed into five groups of pores with 20°, 25°, 30°, 35° and 40° elevation angles, and the flow field distribution and impurity removal rate of molten steel were calculated by Discrete Phase Model (DPM). The results showed that the removal rate of impurity in the molten steel could be significantly improved by using the tundish filter with elevation angle.

Microstructure and properties of joint of Al/Cu welded by resistance element welding with an auxiliary gasket of Ni.

A rivet of aluminum and auxiliary gasket of nickel were adopted to weld A1060 aluminum plate and T2 copper plate using resistance element welding. The interfacial microstructure was analyzed and the tensile shear load of the joint was tested. A layer of AlCu and the eutectic structure of AlCu and (Al) were formed in the interfacial zone of Al/Cu.

Unveiling nature's antidiabetic potential in Berberis orthobotrys seeds for alloxan-induced diabetic rats.

To illustrate the anti-diabetic properties of Berberis orthobotrys seeds was the aim of the current study. After a series of experiments, two doses of aqueous methanolic extract of the seeds were selected i.e.

Hierarchically aligned heterogeneous core-sheath hydrogels.

Natural materials with highly oriented heterogeneous structures are often lightweight but strong, stiff but tough and durable. Such an integration of diverse incompatible mechanical properties is highly desired for man-made materials, especially weak hydrogels which are lack of high-precision structural design. Herein, we demonstrate the fabrication of hierarchically aligned heterogeneous hydrogels consisting of a compactly crosslinked sheath and an aligned porous core with alignments of nanofibrils at multi-scales by a sequential self-assembly assisted salting out method.

The degradation mechanism of multi-resonance thermally activated delayed fluorescence materials.

1,4-Azaborine-based arenes are promising electroluminescent emitters with thermally activated delayed fluorescence (TADF), offering narrow emission spectra and high quantum yields due to a multi-resonance (MR) effect. However, their practical application is constrained by their limited operational stability. This study investigates the degradation mechanism of MR-TADF molecules.

Earthworm inspired lubricant self-pumping hydrogel with sustained lubricity at high loading.

The development of mechanically robust super-lubrication hydrogel materials with sustained lubricity at high contact pressures is challenging. In this work, inspired by the durable lubricity feature of the earthworm epidermis, a multilevel structural super-lubrication hydrogel (MS-SLH) system, the so-called lubricant self-pumping hydrogel, is developed. The MS-SLH system is manufactured by chemically dissociating a double network hydrogel to generate robust and wrinkled lubrication layer, and then laser etching was used to generate cylindrical texture pores as gland-like pockets for storing lubricants.

Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten.

The knowledge of diffusion mechanisms in materials is crucial for predicting their high-temperature performance and stability, yet accurately capturing the underlying physics like thermal effects remains challenging. In particular, the origin of the experimentally observed non-Arrhenius diffusion behavior has remained elusive, largely due to the lack of effective computational tools. Here we propose an efficient ab initio framework to compute the Gibbs energy of the transition state in vacancy-mediated diffusion including the relevant thermal excitations at the density-functional-theory level.

Statistical optimization of pectinases from thermophilic Aspergillus fumigatus BT-4 employing response surface methodology through submerged fermentation using agricultural wastes.

Background: In this study, thermophilic pectinase-producing strains were isolated. Among all the isolates, strain No. 4 was identified as Aspergillus fumigatus BT-4 based on its morphology and 18 S rDNA analysis.

Covalently crosslinked carboxymethyl chitosan beads containing SiO and ionic polymer for efficient adsorptive removal of methylene blue.

The carboxymethyl chitosan (CMCS)-based porous beads are still criticized for their limited number of binding sites, which impairs their efficacy in removing aqueous pollutants. To overcome this challenge, this work introduces the production of covalently crosslinked CMCS-based beads containing SiO and poly(2-acrylamido-2-methylpropanesulfonic acid) (PAMPS). The porous composite beads not only possess remarkable stability under acidic conditions, but also have abundant active binding sites for adsorption.

Unveiling the potential of pullulan in enhancing ketoprofen release from PHBV filaments.

In this study, sustainable poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) and pullulan (PUL)/PHBV filaments were prepared with ketoprofen for scaffold preparation. The research aimed evaluate the influence of pullulan in the filament properties, such as thermal, morphological, and biological behavior. Hansen parameters demonstrated the difference in the miscibility of the polymers and drug in the blend.

Combined molecular subclass and immune phenotype correlate to atezolizumab plus radiation therapy response in invasive bladder cancer: BPT-ART Phase II study.

Purpose: Bladder preservation therapy in combination with atezolizumab and radiation therapy (BPT-ART) trial, which was a multicenter, open-label, single-arm phase II study, showed a promisingly high interim clinical complete response (cCR) rate of 84.4% (38/45). In the present study, we aimed to identify potential tissue biomarkers for achieving cCR via BPT-ART.

One-step biomineralization to synthesize reusable CRL@ZnCo-MOF for boosting lipase stability and sustainable dibutyl phthalate removal.

Adsorption and biodegradation are two important means to remove the pollutants from the environment, but how to combine them and improve the catalytic performance and stability of free enzyme are facing great challenges. Herein, lipase from Candida rugosa (CRL) was immobilized into bimetallic ZnCo-MOF by biomineralization, which not only significantly improved the catalytic activity and stability of CRL but also endowed it with excellent reusability. Furthermore, CRL@ZnCo-MOF established a synergetic system of combined adsorption and enzymatic degradation for the sustainable removal of dibutyl phthalate (DBP) in actual water environment.

LIPUS activated piezoelectric pPLLA/SrSiO composite scaffold promotes osteochondral regeneration through P2RX1 mediated Ca signaling pathway.

Addressing the concurrent repair of cartilage and subchondral bone presents a significant challenge yet is crucial for the effective treatment of severe joint injuries. This study introduces a novel biodegradable composite scaffold, integrating piezoelectric poly-l-lactic acid (pPLLA) with strontium-enriched silicate bioceramic (SrSiO). This innovative scaffold continually releases bioactive Sr and SiO ions while generating an electrical charge under low-intensity pulsed ultrasound (LIPUS) stimulation, a clinically recognized method.

Insect-derived biochar for CO adsorption under humid conditions: Elucidating adsorption mechanisms and competitive interactions with water molecules.

The CO adsorption capacity of biochar depends on the type of biomass used and its physicochemical properties; various sorption parameters including temperature, CO concentration, and humidity affect the CO adsorption capacity. Biochar derived from defatted black soldier fly larvae (BSFL) biomass was investigated for direct CO capture and exhibited a hydrophilic/mesoporous structure that contained high concentrations of alkali and alkaline metals (>10 wt%), which contribute to CO chemisorption. The CO adsorption efficiency was higher at 25 °C compared with that at 30 °C and 35 °C, probably due to reduced Brownian motion of CO molecules at lower temperatures.

Investigation of bacterial nanocellulose/calcium phosphates-based composite containing cerium for bone repair.

Bacterial nanocellulose (BNC) has attracted considerable attention in the field of biomedical engineering due to its potential for use in bone regeneration applications. The present study investigates the in vitro and in vivo efficacy of bacterial nanocellulose (BNC) combined with calcium and cerium ions (BNC-Ce:CaP) in bone regeneration applications. XRD analysis confirmed the presence of monetite and hydroxyapatite phases in BNC-CaP, while BNC-Ce:CaP revealed an additional brushite phase.

Comparison of microplastics heteroaggregation with MoS and graphene oxide nanosheets: Dependence on the configuration and impacts on aquatic transport.

Understanding the behavior and fate of microplastics (MPs) in aquatic environment is crucial for assessing their potential risks. This study investigated the heteroaggregation behaviors of MPs with representative 2D nanosheets, MoS and graphene oxide (GO), under various conditions, focusing on the transport behavior of the resulting aggregates. It was found that the destabilization capabilities of 2D nanosheets are notably stronger than those of well-reported nanoparticles.

Structural design and evolution of one-dimensional Cu hydrogen-bonded organic framework for catalyzing the rapid decomposition of ammonium perchlorate.

Enhancing the decomposition rate of ammonium perchlorate (AP), the most common oxidizer in solid propellants, is important for improving propellant performance. Metal organic frameworks (MOFs) have been developed as key materials for catalyzing AP decomposition, as they can achieve good dispersion of active sites through in-situ decomposition. Despite having considerable potential, the structural transformation process and catalytic performance of MOFs in AP decomposition are still unclear, which seriously hinders their application in the field of AP decomposition.

MGB probe-based multiplex droplet digital PCR for the interspecific identification of Notopterygii Rhizoma et Radix in herbal materials and preparations.

Background: Owing to high sensitivity and ability for absolute quantification, the droplet digital polymerase chain reaction (ddPCR) is widely used for viral and bacterial detection. However, few studies have been conducted on the application of ddPCR to identify the original plant species used in traditional Chinese medicine and Chinese patent medicine.

Purpose: In this study, we investigated the feasibility of using ddPCR to differentiate between Notopterygium incisum and N.

Automated design prediction for definitive obturator prostheses: A case-based reasoning study.

Purpose: This study aims to evaluate the effectiveness of a case-based reasoning (CBR) system in predicting the design of definitive obturator prostheses for maxillectomy patients.

Materials And Methods: Data from 209 maxillectomy cases, including extraoral images of obturator prostheses and occlusal images of maxillectomy defects, were collected from Institute of Science Tokyo Hospital. These cases were organized into a structured database using Python's pandas library.

Harnessing the power of microbial fuel cells as pioneering green technology: advancing sustainable energy and wastewater treatment through innovative nanotechnology.

The purpose of this review is to gain attention about intro the advanced and green technology that has dual action for both clean wastewater and produce energy. Water scarcity and the continuous energy crisis have arisen as major worldwide concerns, requiring the creation of ecologically friendly and sustainable energy alternatives. The rapid exhaustion of fossil resources needs the development of alternative energy sources that reduce carbon emissions while maintaining ecological balance.