mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
Continuous synthesis of ultra-fine fiber for wearable mechanoluminescent textile

Continuous mechanoluminescence (ML) fibers and fiber-woven textiles have the potential to serve as new wearable devices for sensors, healthcare, human-computer interfacing, and Internet of Things. Considering the demands on wearability and adaptability for the ML textiles, it is essential to realize the continuous synthesis of fiber, while maintaining a desired small diameter. Here, we develop a novel adhere-coating method to fabricate ML composite fiber, consisting of a thin polyurethane (PU) core and ZnS:Cu/polydimethylsiloxane (PDMS) shell, with the outer diameter of 120 μm. By diluting PDMS to tune the thickness of liquid coating layer, droplets formation has been effectively prevented. The composite fiber exhibits a smooth surface structure and superior ML performances, including high brightness, excellent flexibility, and stability. In addition, a weft knitting textile fabricated by the continuous ML fiber can be easily delighted by manually stretching, and the ML fibers can emit visible signals upon human motion stimuli when woven into commercial cloth. Such continuous ultra-fine ML fibers are promising as wearable sensing devices for human motion detection and human-machine interactions.
Application of high energy X-ray diffraction and Rietveld refinement in layered lithium transition metal oxide cathode materials

Layered lithium transition metal oxide (LTMO) cathode materials have attracted much attention for lithium-ion batteries and are shining in the current market. Establishing a clear structure-performance relationship is necessary for the performance improvement of LTMO cathode materials. The combination of synchrotron X-ray diffraction (XRD) with high intensity and XRD Rietveld refinement is powerful for revealing the structural characteristics of LTMO cathode materials. This review summarizes the application of high energy XRD and Rietveld refinement in LTMO cathode materials, including the brief introduction of synchrotron XRD and Rietveld refinement and their applications in understanding the structural evolution related to the synthetic, thermal runaway, cycling, and high-rate charge/discharge process of LTMO cathode materials. Synchrotron XRD can provide insights into the intermediates and reaction paths in the synthesis process, the origin of thermal runaway, the mechanism of structural decay during cycles, and the structural evolution during high-rate charging/discharging. Future works should focus on the development of higher intensity X-rays to gain more in-depth insights into the intrinsic relationship between their structural characteristics and properties.
ChemFET gas nanosensor arrays with alignment windows for assembly of single nanowires

This work focuses on the fabrication and characterization of Chemical Field-Effect Transistor (ChemFET) gas nanosensor arrays based on single nanowire (SNW). The fabrication processes include micro and nanofabrication techniques enabled by a combination of ultraviolet (UV) and e-beam lithography to build the ChemFET structure. Results show the integration and connection of SNWs across the multiple pairs of nanoelectrodes in the ChemFET by dielectrophoresis process (DEP) thanks to the incorporation of alignment windows (200-300 nm) adapted to the diameter of the NWs. Measurements of the SNW ChemFET array's output and transfer characteristics prove the influence of gate bias on the drain current regulation. Tests upon hydrogen (H_2) and nitrogen dioxide (NO_2) as analyte models of reducing and oxidizing gases show the ChemFET sensing functionality. Moreover, results demonstrate better response characteristics to H_2 when the ChemFET operates in the subthreshold regime. The design concepts and methods proposed for fabricating the SNW-based ChemFET arrays are versatile, reproducible, and most likely adaptable to other systems where SNW arrays are required.
Positive direction of polarization-induced electric field improves formic acid electrooxidation on Pd

Adjusting the adsorption energy of adsorbates on catalyst can directly regulate the catalytic performance and reaction pathways of heterogeneous catalysis. Herein, we report a novel strategy, introducing polarization-induced electric field (PIEF) with different directions, to manipulate the adsorption energy of intermediates and reaction pathway of formic acid electrooxidation on Pd. Tourmaline nanoparticles are applied as the PIEF provider, of which the direction is successfully controlled via aligning the dipoles in tourmaline in a strong external electric field. Experimental and theoretical results systematically reveal that positive PIEF leads to an electron-deficient state of Pd, reduced adsorption energy of COad, enhanced adsorption energy of *HCOOH and *OH, and promoted formate pathway of formic acid electrooxidation. Pd/TNP+/FTO, with the aid of positive PIEF, shows threefold enhancement in the formic acid electrooxidation (4.74 mA·cm~(-2)) with high durability and anti-poisoning ability compared with pristine Pd. This study leads a new route to design formic acid electrocatalysts and provides an understanding on how to control the adsorption energy of adsorbates on electrocatalysts by an internal electric field.
Design and optical performance investigation of all-sprayable ultrablack coating

Although ultrablack surfaces are urgently needed in wide applications owing to their extremely low reflectance over a broadband wavelength, obtaining simultaneously the ultrablackness and mechanical robustness by simple process technique is still a great challenge. Herein, by decoupling different light extinction effects to different layers of coating, we design an ultrablack coating that is all-sprayable in whole process. This coating presents low reflectance over visible-mid-infrared(VIS-MIR) wavelength(av. R ≈ 1% in VIS), low multi-angle scattering(bidirectional reflection distribution function(BRDF) = 10~(-2)-10~(-3) sr~(-1)), together with good substrate adhesion grade and self-cleaning ability, which are superior to most reported sprayable ultrablack surfaces. The light extinction effects of each layer are discussed. This method is also applicable in other material systems.
Designing topological and correlated 2D magnetic states via superatomic lattice constructions of zirconium dichloride

Magnetic materials could realize the intriguing quantum anomalous Hall effect and metal-to-insulator transition when combined with band topology or electronic correlation, which have broad prospects in quantum information, spintronics, and valleytronics. Here, we propose the approach of designing novel two-dimensional(2D) magnetic states via d-orbital-based superatomic lattices. Specifically, we chose triangular zirconium dichloride disks as superatoms to construct the honeycomb superatomic lattices. Using first-principles calculations, we identified a series of 2D magnetic states with varying sizes of superatoms. We found the non-uniform stoichiometries and geometric effect of superatomic lattice give rise to spin-polarized charges arranged in different magnetic configurations, containing ferromagnetic coloring triangles, antiferromagnetic honeycomb, and ferromagnetic kagome lattices. Attractively, these magnetic states are endowed with nontrivial band topology or strong correlation, forming an ideal Chern insulator or antiferromagnetic Dirac Mott insulator. Our work not only reveals the potential of d-orbital-based superatoms for generating unusual magnetic configurations, but also supplies a new avenue for material engineering at the nanoscale.
Experimental study on the interrelation of multiple mechanical parameters in overburden rock caving process during coal mining in longwall panel

In order to comprehend the dynamic disaster mechanism induced by overburden rock caving during the advancement of a coal mining face, a physical simulation model is constructed basing on the geological condition of the 21221 mining face at Qianqiu coal mine in Henan Province, China. This study established, a comprehensive monitoring system to investigate the interrelations and evolutionary characteristics among multiple mechanical parameters, including mining-induced stress, displacement, temperature, and acoustic emission events during overburden rock caving. It is suggested that, despite the uniformity of the overburden rock caving interval, the main characteristic of overburden rock lies in its uneven caving strength. The mining-induced stress exhibits a reasonable interrelation with the displacement, temperature, and acoustic emission events of the rock strata. With the advancement of the coal seam, the mining-induced stress undergoes four successive stages: gentle stability, gradual accumulation, high-level mutation, and a return to stability. The variations in other mechanical parameters does not synchronize with the significant changes in mining-induced stress. Before the collapse of overburden rock occurs, rock strata temperature increment decreases and the acoustic emission ringing counts surges with the increase of rock strata displacement and mining-induced stress. Therefore, the collaborative characteristics of mining-induced stress, displacement, temperature, and acoustic emission ringing counts can be identified as the precursor information or overburden rock caving. These results are in good consistent with on-site situation in the coal mine.
RF-PSSM: A Combination of Rotation Forest Algorithm and Position-Specific Scoring Matrix for Improved Prediction of Protein-Protein Interactions Between Hepatitis C Virus and Human

The identification of hepatitis C virus (HCV) virus-human protein interactions will not only help us understand the molecular mechanisms of related diseases but also be conductive to discovering new drug targets. An increasing number of clinically and experimentally validated interactions between HCV and human proteins have been documented in public databases, facilitating studies based on computational methods. In this study, we proposed a new computational approach, rotation forest position-specific scoring matrix (RF-PSSM), to predict the interactions among HCV and human proteins. In particular, PSSM was used to characterize each protein, two-dimensional principal component analysis (2DPCA) was then adopted for feature extraction of PSSM. Finally, rotation forest (RF) was used to implement classification. The results of various ablation experiments show that on independent datasets, the accuracy and area under curve (AUC) value of RF-PSSM can reach 93.74% and 94.29%, respectively, outperforming almost all cutting-edge research. In addition, we used RF-PSSM to predict 9 human proteins that may interact with HCV protein E1, which can provide theoretical guidance for future experimental studies.
Physicochemical compatibility of pentoxifylline injection with high-concentration parenteral medications

Pentoxifylline (PTX) is reported to provide beneficial outcomes in the treatment of neonatal sepsis and serious inflammatory conditions.In the neonatal intensive care setting,PTX is administered by intravenous (IV) infusion and is routinely co-administered via Ysite with other parenteral medications and/or fluids.Although the physicochemical compatibility of PTX with a range of parenteral drugs,IV fluids,and lipid-free parenteral nutrition solutions has been reported,there is an emerging demand for more PTX compatibility data against previously untested medications (ampicillin,cloxacillin,fentanyl,fluconazole,furosemide,hydrocortisone,and ibuprofen lysine) and high-concentration IV drugs (alprostadil,dopamine,epinephrine,midazolam,milrinone,morphine,and norepinephrine) which may be used in fluid-restricted,vulnerable patients.In order to address this requirement for contemporary information,we investigated the physical and chemical compatibility of PTX with a panel of 20 drugs,in 51 PTX-drug combinations.
Temporally Separated CO_2 Photoreduction and H_2O Photooxidation over Redox-Active Conjugated Organic Polymer Films

Photocatalytic CO_2 reduction with H_2O of chemicals without H_2 generation is interesting but challenging. Herein, we report temporally separated CO_2 photoreduction and H_2O photooxidation that are achieved over redox-active o-hydroxyazo-based conjugated organic polymer films (HAzo-COPFs), affording CO with high efficiency as the sole reduction product. HAzo-COPFs are prepared via interfacial diazo-coupling reactions of aromatic diamines and diphenols, and HAzo-COPF-1 from 4,4′-biphenol and benzidine shows the best performance with a CO generation rate of 53.6 μmol g~(-1) h~(-1) under visible-light irradiation (>420 nm). Interestingly, we discovered that diphenol (DP-OH) moieties in HAzo-COPFs, serving as electron and proton donors to participate in CO_2 photoreduction, are oxidized into quinone (DP=O) moieties, which are subsequently photoreduced to regenerate DP-OH in H_2O photooxidation. Consequently, CO_2 photoreduction and H_2O photooxidation are temporally separated and perfectly coupled via redox transformation between DP-OH and DP=O that form in situ, affording enhanced charge carrier separation and inhibiting the hydrogen evolution reaction. This work provides new insights for the design of COP photocatalysts and artificial photosynthesis.
Asymmetric Dearomatization of Electron-Deficient Heteroarenes by a Phosphine-Catalyzed [3+2] Annulation with Vinylcyclopropanes

Asymmetric dearomatization reactions of various electron-deficient heteroarenes, including benzofurans, benzothiophenes, and indoles, have been described. Through a phosphine-catalyzed [3+2] annulation with vinylcyclopropanes, readily available heteroarene feedstocks undergo smooth dearomatization reactions, delivering a diverse array of valuable chiral cyclopentabenzodihydrofuran and cyclopentaindoline scaffolds in a highly diastero- and enantioselective manner. Notably, the employment of cyclopropanes in phosphine-mediated annulation for the dearomatization of electron-deficient arenes is unknown.
α-Synuclein-carrying astrocytic extracellular vesicles in Parkinson pathogenesis and diagnosis

Background The accumulation of a-synuclein (a-syn), an essential step in PD development and progression, is observed not only in neurons but also in glia, including astrocytes.The mechanisms regulating astrocytic a-syn level and aggregation remain unclear. More recently, it has been demonstrated that a part of a-syn spreading occurs through extracellular vesicles (EVs), although it is unknown whether this process is involved in astrocytes of PD. It is known, however, that EVs derived from the central nervous system exist in the blood and are extensively explored as biomarkers for PD and other neurodegenerative disorders. Methods Primary astrocytes were transfected with A53T a-syn plasmid or exposed to a-syn aggregates.The level of astrocyte-derived EVs (AEVs) was assessed by nanoparticle tracking analysis and immunofluorescence. The lysosomal function was evaluated by Cathepsin assays, immunofluorescence for levels of Lamp1 and Lamp2, and LysoTracker Red staining.The Apogee assays were optimized to measure the GLT-1 + AEVs in clinical cohorts of 106 PD, 47 multiple system atrophy (MSA), and 103 healthy control (HC) to test the potential of plasma AEVs as a biomarker to differentiate PD from other forms of parkinsonism. Results The number of AEVs significantly increased in primary astrocytes with a-syn deposition. The mechanism of increased AEVs was partially attributed to lysosomal dysfunction. The number of a-syn-carrying AEVs was significantly higher in patients with PD than in HC and MSA. The integrative model combining AEVs with total and aggregated a-syn exhibited efficient diagnostic power in differentiating PD from HC with an AUC of 0.915, and from MSA with an AUC of 0.877. Conclusions Pathological a-syn deposition could increase the astrocytic secretion of EVs, possibly through a-syninduced lysosomal dysfunction.The a-syn-containing AEVs in the peripheral blood may be an effective biomarker for clinical diagnosis or differential diagnosis of PD.
DFT study on ORR catalyzed by bimetallic Pt-skin metals over substrates of Ir, Pd and Au

Bimetallic Pt-skin catalyst is a class of near-surface alloy (NSA) that owns a high degree of control over composition. Herein, density functional theory (DFT) is used to calculate the energetics of oxygen reduction reaction (ORR) on Pt-skin over Ir, Pd and Au substrates. A Bronsted-Evans-Polanyi (BEP) relationship can be determined for the oxygen molecule dissociation. The binding energy of both atomic oxygen and hydroxyl radical is found to correlate well with the d band center of Pt-skin atoms. Their catalytic activities show the volcano relationship as the positions of each substrate in the periodic table. The effect of surface strain, band structure and charge transfer on the d band center is well studied, and it can be found that the surface strain effect plays a dominant role for all Pt-skin catalysts. Ir substrate makes the d band center of Pt-skin go far away from the Fermi level, while Au substrate makes it move towards the Fermi level. Being different from both Ir and Au, Pd substrate makes the d band center of Pt-skin comparable with the monometallic Pt.
The application of aromaticity and antiaromaticity to reaction mechanisms

Aromaticity, in general, can promote a given reaction by stabilizing a transition state or a product via a mobility of π electrons in a cyclic structure. Similarly, such a promotion could be also achieved by destabilizing an antiaromatic reactant. However, both aromaticity and transition states cannot be directly measured in experiment. Thus, computational chemistry has been becoming a key tool to understand the aromaticity-driven reaction mechanisms. In this review, we will analyze the relationship between aromaticity and reaction mechanism to highlight the importance of density functional theory calculations and present it according to an approach via either aromatizing a transition state/product or destabilizing a reactant by antiaromaticity. Specifically, we will start with a particularly challenging example of dinitrogen activation followed by other small-molecule activation, C-F bond activation, rearrangement, as well as metathesis reactions. In addition, antiaromaticity-promoted dihydrogen activation, CO_2 capture, and oxygen reduction reactions will be also briefly discussed. Finally, caution must be cast as the magnitude of the aromaticity in the transition states is not particularly high in most cases. Thus, a proof of an adequate electron delocalization rather than a complete ring current is recommended to support the relatively weak aromaticity in these transition states.
Maximizing the linear and nonlinear optical responses of alkaline tricyanomelaminate

High-performance bi-functional materials are in urgent demand for the next-generation integrated optical devices. In this work, we successfully synthesized the first tricyanomelaminate with bi-functional optical responses, namely Cs_3C_6N_9·H_2O (I), from its analogue Na_3C_6N_9·3H_2O by a facile ion exchange method. In contrast to Na_3C_6N_9·3H_2O, I realizes an optimal arrangement of π-conjugated (C_6N_9)_3-anion groups in its crystal structure. As a result, the second-order nonlinear optical (NLO) response is greatly enhanced from nearly zero of Na_3C_6N_9·3H_2O to~9.8×KH_2PO_4 of I. Furthermore, I exhibits a giant linear optical anisotropic response (i.e. birefringence) of 0.52 at the wavelength of 550 nm. Both responses are almost the largest among the inorganic compounds of π-conjugated rings, which indicates that I has great potential as a bi-functional optical crystal. Structural and theoretical analyses reveal the microscopic origin of excellent optical properties. This work would attract a lot of interest to the persistently neglected potential of tricyanomelaminates as linear optical and NLO crystals.
Degree of polymerisation estimation for insulation paper immersed in silicone oil using frequency domain dielectric spectroscopy

Frequency domain dielectric spectroscopy (FDS) is an effective method reflecting the changes of ageing status of silicone oil-immersed insulation paper. For better evaluating the ageing status of silicone oil-immersed insulation paper, an evaluation method was studied by analysing the ageing kinetic model and results of FDS. First, the method to separate the different polarization losses and conductivity loss from the results of FDS was studied. Then, based on the idea of ageing correction translation coefficient and time-varying pre exponential factor, the zero order ageing dynamic model was modified, which combines the ageing kinetic model with the results of FDS. Finally, the evaluation method for the degree of polymerisation (DP) of silicone oil-immersed paper was proposed, and experiments were conducted to obtain the parameters in the modified model and then to verify the proposed method. The results show that the proposed method can be used to evaluate the DP effectively.
Dynamic ageing research of cross-linked polyethylene cable insulation based on temporal-spatial dimension under combined electro-thermal effect

Dynamic ageing process of cross-linked polyethylene (XLPE) cable insulation under combined electro-thermal effect is investigated by the construction of theoretical analysis model and the practice of operation-simulated ageing test. Firstly, theoretical analysis model is constructed from time and spatial dimensions. From the time dimension, in the light of the impeding trend of internal stress to external stress, the XLPE ageing process of Steady state -Transition state -Steady state (STS) is proposed to illustrate the dynamic ageing process of XLPE. From the spatial dimension, the insulation is divided into three scales to quantify the ageing. Secondly, to practice the theoretical analysis model, an operation-simulated ageing test was conducted on two high voltage alternating current cables with service years of 15 and 30 for 540 days. Subsequently, relevant diagnostic measurements were applied to analyse the influence of physicochemical characteristics on the dielectric and heat transfer performances of the cables. The results show that the degradation of the actual operating cable is an extremely slow process. On the one hand, the response in physical changes of morphology counterbalances the external stress, maintaining the stability. On the other hand, once the chemical changes occur, negative feedback mechanism tends to impede the occurrence of further degradation by regulating fields distribution.
Metabolic engineering of Bacillus amyloliquefaciens for efficient production of α-glucosidase inhibitor1-deoxynojirimycin

Owing to the feature of strong α-glucosidase inhibitory activity,1-deoxynojirimycin (1-DNJ) has broad application prospects in areas of functional food,biomedicine,etc.,and this research wants to construct an efficient strain for 1-DNJ production,basing on Bacillus amyloliquefaciens HZ-12.Firstly,using the temperature-sensitive shuttle plasmid T2 (2)-Ori,gene ptsG in phosphotransferase system (PTS) was weakened by homologous recombination,and non-PTS pathway was strengthened by deleting its repressor gene iolR,and 1-DNJ yield of resultant strain HZ-S2 was increased by 4.27-fold,reached 110.72 mg/L.Then,to increase precursor fructose-6- phosphate (F-6-P) supply,phosphofructokinase was weaken,fructose phosphatase GlpX and 6-phosphate glucose isomerase Pgi were strengthened by promoter replacement,moreover,regulator gene nanR was deleted,1-DNJ yield was further increased to 267.37 mg/L by 2.41-fold.Subsequently,promoter of 1-DNJ synthetase cluster was optimized,as well as 5' -UTRs of downstream genes in synthetase cluster,and 1-DNJ produced by the final strain reached 478.62 mg/L.Last but not the least,1-DNJ yield of 1632.50 mg/L was attained in 3 L fermenter,which was the highest yield of 1-DNJ reported to date.Taken together,our results demonstrated that metabolic engineering was an effective strategy for 1-DNJ synthesis,this research laid a foundation for industrialization of functional food and drugs based on 1-DNJ.