Miracle-dz/UniFAR-FTUs huggingface dataset:
Ru-Catalyzed Steam Methane Reforming: Mechanistic Study from First Principles Calculations

Elucidating the reaction mechanism of steam methane reforming (SMR) is imperative for the rational design of catalysts for efficient hydrogen production. In this paper, we provide mechanistic insights into SMR on Ru surface using first principles calculations based on dispersion-corrected density functional theory. Methane activation (i.e., C–H bond cleavage) was found to proceed via a thermodynamically exothermic dissociative adsorption process, resulting in (CHy + zH)* species (“*” denotes a surface-bound state, and y + z = 4), with C* and CH* being the most stable adsorbates. The calculation of activation barriers suggests that the conversion of C* into O-containing species via C–O bond formation is kinetically slow, indicating that the surface reaction of carbon intermediates with oxygen is a possible rate-determining step. The results suggest the importance of subsequent elementary reactions following methane activation in determining the formation of stable carbon structures on the surface that deactivates the catalyst or the conversion of carbon into O-containing species.
Exploring Parental Involvement in Early Childhood Education in Philippines: A Case Study

Despite the attempt to increase parental involvement (PI) in school, there is a gap in understanding it from stakeholders' perspectives. This descriptive case study explored PI in early childhood education in Philippines from kindergarten stakeholders' perspectives. This study employed two phases: phase 1 focused on document analysis and phase 2 on the interview of stakeholders, in which purposive sampling technique was used to recruit 65 participants. Data from the two phases went through content and thematic analysis. The findings revealed four themes: 1) meaningful home-school interaction; 2) collective in-school engagement; 3) structured at-home learning support; and 4) refining stakeholders' capacity. These findings underscore the significance of strong PI and the need for crafting policies that will set guidelines for smooth implementation of programs and increase stakeholders' school engagement. This study requires further investigation in understanding PI focusing on the viewpoints of various stakeholders within the different regions of the country to validate its findings.
Development of Various Metal Sulfide Photocatalysts Consisting of d0, d5, and d10 Metal Ions for Sacrificial H2 Evolution under Visible Light Irradiation

We have developed metal sulfide photocatalysts with various crystal structures and constituent metal cations with d0, d5, and d10 electron configurations. Cu3VS4, Cu3NbS4, and Cu3TaS4 with a sulvanite structure, ZnGaxIn2−xS4 (x = 0–0.6), and MnGaInS4 with layered structures, BaLaCuS3 with a one-dimensionally anisotropic structure along the b-axis, and a (ZnS)0.9-(CuCl)0.1 solid solution with a zinc blende structure have arisen as new photocatalysts for H2 evolution in the presence of sacrificial electron donors under visible light irradiation.
Identification and Characterization of SdbA, a Novel Thiol-Disulfide Oxidoreductase in Streptococcus gordonii

Streptococci secrete small peptides with important biological functions. These peptides are not amenable to standard immunoblotting, and are often detected indirectly using activity assays, or by alternative approaches that may be expensive and laborious. Here we describe an immunoblotting method that enables reproducible detection of these small streptococcal peptides. Streptococci secrete small peptides to mediate complex signaling process such as quorum sensing and genetic competence, and to inhibit the growth of competitors. These small, positively charged peptides are characterized by double glycine processing motif, and include competence signaling peptides (CSP) and class II bacteriocins (292). Although standard immunoblotting techniques have been used to detect peptides from related bacteria, including the double glycine motif bacteriocins enterocin P (320), pediocin (321), and lactocin (322), similar peptides from streptococci are not typically detected by Western blotting, possibly due to their small size, around 2 kDa, and high isoelectric point, ranging between 10 and 12. Alternative detection strategies have included high performance liquid chromatography (323), mass spectrometry (324), activity assays (188, 325), and the use tags, which facilitate detection, but interfere with biological functions (282). We found that streptococcal peptides bound poorly to the transfer membrane, washing off before they could be detected. Here we report a method that stably fixes
PREPARATION OF PHOTOCATALYTICAL MATERIALS FOR WATER CLARIFICATION VIA ORGANIC WASTE

Photocatalytic oxidation is a preferable method for clarification of fresh water polluted by colourful pollutants, pesticide-like hard to treat organic pollutants and microbiological metabolites. Titanium dioxide (TiO 2 ), having superior physicochemical properties, is one of the most common catalyst in heterogeneous photocatalysis. Free electron formed by absorption of light by titanium dioxide triggers formation of free radicals and results in oxidation of polluting compounds. Titanium dioxide is photocatalytically more active under the relatively shorter (100 nm < λ < 400 nm) UV wavelength region. This forces the usage of UV lamps for supplying UV light, which is only present at low ratios in the sunlight (8%). Doping with various elements, preparing of its composites with different oxides, usage of dyes absorbing sunlight were investigated for enhancing the photocatalytical activity of titanium dioxide and using the sunlight as energy source and some enhancements were reported. Using titanium dioxide in nano size was also reported to be enhancing its photocatalytical activity. In this work, while organic wastes rich in Carbon were milled to increase their surface area, nano sized titanium dioxide was synthesized via sol-gel method. Using these two materials C element and titanium dioxide in couple possible enhancement of the photoctatlytical activity of the synthesized material was investigated. Walnut shells were used as organic waste.
Las diseñadoras como minoría en los mercados laborales del diseño, diferencias que demandan respeto por la diversidad

Se presenta como un avance de investigacion la construccion de una estructura teorica fundamentada en las identidades con en base en Gimenez (2005), para entender la complejidad de “las disenadoras” atendiendo a su identidad como mujeres y como profesionistas dentro de un mercado laboral tradicionalmente conformado por y para varones. Este analisis permite comprender las dinamicas relacionales la estructura patriarcal machista que otorga a las mujeres un rol dominado y sometido dentro del mercado laboral del diseno. Se da una vision de esta forma de discriminacion y generacion de violencia a traves de la teoria de la diferencia sexual de Rosi Braidotti quien propone que se vea a las problematicas de las mujeres a traves de la mirada de las propias mujeres pensadas desde la subjetividad femenina. Incluso en la actualidad, en donde la profesion del diseno se encuentra establecida desde hace mas de 50 anos, y damos por supuestas condiciones laborales que Mexico y estan constituidas bajo una legislacion de igualdad, se vislumbran situaciones desiguales que muchas veces generan violencia que como mujeres estamos “acostumbradas” y llevan decadas naturalizadas en la estructura sociocultural y lamentablemente forman parte de las identidades culturales del pais. Nos referimos, sobre todo, a aspectos que tienden a ignorar, minimizar, denigrar el trabajo de las mujeres, asi como sufrir acoso laboral, sometimiento, dominacion, depreciacion de capacidades, entre otros; debido a una estructura capitalista patriarcal machista y en la cual estamos situados, la cual reproduce las desigualdades de genero; este trabajo lo especifica en el mercado laboral del diseno. Lograr un mercado laboral del diseno mucho mas incluyente y equitativo es parte de los desafios actuales, en donde las oportunidades esten dadas por las habilidades y competencias que se poseen, independientemente de la diferencia sexual, afirmando la subjetividad de los individuos desde la diferencia y la diversidad. Las mujeres han sido victimas de violencias, supresion e invisiblizacion a lo largo de la historia. Por ende, resulta necesario difundir la aceptacion, empatia y equidad, dando apertura a la inclusion, creando experiencias que impacten en la vida de los demas, generando nuevos mercados laborales que les permitan una relacion mas inclusiva y armoniosa con su entorno en donde sean valoradas en su subjetividad y condicion femenina. Este trabajo permite vislumbrar algunos escenarios futuros, posibilidades que de manera lateral al mercado tradicional se han generado y tienen hoy amplias posibilidades de generar sitios alternativos, seguros para el trabajo de las mujeres y en especifico como lo veremos en este documento para las disenadoras en Mexico.
TEXTURE ANALYSIS BY (110) POLE FIGURE FOR A SPD PROCESSED Ti-25Ta-25Nb ALLOY

A fost investigată textura obţinută prin Deformare Plastică Severă în aliajul Ti-25Ta-25Nb cu ajutorul difracţiei de raze X. În urma investigaţiilor s-a observat că principala componentă texturală dezvoltată o constituie textura de laminare 001 110 , cu orientări specifice cuprinse între 001 110 şi 001 110 . De asemenea, au fost identificate şi fibrele texturale γ şi α. Pentru fibrajul γ s-au observat orientări specifice cuprinse între 111 110 şi 111 112 ; în timp ce pentru fibrajul α s-au observat orientări specifice cuprinse între 001 110 şi 112 112 .
Brand Loyalty with Hospitality Brands: The Role of Customer Brand Identification, Brand Satisfaction and Brand Commitment

Hotel operators struggle to satisfy the wants of their customers and subsequently retain them by attempting to know the factors that could build up a strong brand relationships and loyal customer base. Over the recent decade, practitioners have engaged in making and maintaining future connections with customers and regard brand loyalty as their main goal in developing business methods attributable to the increasing market competition. Hospitality brands have progressively recognized that business strategies represent a strategic weapon to secure a competitive edge in the global hotel industry. To extend current understanding of hotel brand management, this study investigates to evaluate the relationships between the four marketing perspectives namely customer brand identification, brand satisfaction, brand commitment and brand loyalty. The data was collected through self-administered survey from 180 respondents of hospitality brands (four and five star hotels) of Jammu and Kashmir, India. Simple random sampling approach was adopted in the study. This paper incorporates the factors that regulate to brand loyalty in marketing literature and provides strategies to hospitality managers for increasing brand loyal customers. The findings reveal that the four variables are significantly related to one another and are useful for hotel operators to promote long-term business success, generate competitive advantages, and differentiate from its competitors in building and maintaining long term relationship with customers of hospitality brands of Jammu and Kashmir, India.
Experimental Analysis of Multiple Air-Bubbles Rise in Water Channel Using A Submerged Needle

Article history: Received 25 September 2019 Received in revised form 19 October 2019 Accepted 2 November 2019 Available online 10 November 2019 2019 This paper studies the ascent of multiple air bubbles experimentally utilizing a highframerate camera (HSC) (400 fps) which has the ability to capture fast moving objects which can then be played back in slow motion. Experiments conducted previously suggested that small air bubble pursues a rectilinear rise motion. Bubbles that have radius less than 0.81 mm approximately follows rectilinear path as concluded by [1] [2]. Notwithstanding, in the present study it has been seen that by utilizing a needle inside the water channel, multiple bubbles pursue a spiral movement in a path rather instead of a rising in a straight line. Motion is studied in both of these planes (X-Y and Y-Z). Image processing techniques have been utilized thus to upgrade the quality of the images and along these lines to examine the flow features of the multiple air bubbles rising in water.
Overview of Supercritical Fluid Extraction and Its Application

On the basis of extensive literature search,the basic principle and influencing factors of supercritical fluid extraction,the properties and selection principle of supercritical fluid were reviewed. And the applications of supercritical fluid extraction in tobacco industry,food industry,pharmaceutical industry,chemical industry,environmental science,natural pigment and analytical chemistry were also reviewed,so as to provide scientific data for further application of supercritical fluid extraction technology.
Glycerol mediated safer synthetic route for pyrazolines bearing quinolino and benzene sulfonamido pharmacophores

Organic transformations need organic solvents. Most of the organic solvents which are in use while performing the transformations for obtaining products of societal use are volatile organics responsible for environmental pollution. These solvents are from exhaustible petrochemical source. Herein pyrazolines, 3-(4'-tosylaminophenyl)-5-(2'- chloro-substituted quinolin-3-yl)-4,5-dihydropyrazolines (2a-f) were synthesized from cyclocondensation of chalcones, 3-(2-Chloro-substitutedquinolin-3-yl)-1-(4-(tosylamino)phenyl)prop-2-en-1-ones(1) with hydrazine using greener medium, glycerol at 90 oC.
miR ‐ 582 ‐ 5 p is a Tumor Suppressor microRNA Targeting the

The Hippo‐YAP/TAZ signaling pathway is an evolutionarily conserved signaling pathway involved in a broad spectrum of biological processes, including tumorigenesis. Whilst aberrant Hippo‐YAP/TAZ signaling is frequently reported in various cancers, the genetic alterations of this pathway are relatively rare, suggesting regulation at the post‐transcriptional level. MicroRNAs play key role in tumorigenesis by regulating gene expression post‐transcriptionally. Amongst the cancer‐relevant microRNAs, miR‐582‐5p suppresses cell growth and tumorigenesis by inhibiting the expression of oncogenes, including AKT3, MAP3K2 and NOTCH1. Given the oncogenic role of YAP/TAZ in solid tumors, we scrutinized the possible interplay between miR‐ 582‐5p and Hippo‐YAP/TAZ signaling. Correlation analysis in NSCLC cells revealed a positive relationship between the expression of mature miR‐582‐5p and the proportion of phosphorylated YAP/TAZ. Intriguingly, YAP/TAZ knockdown reduced the expression of mature miR‐582‐5p but increased that of primary miR‐582. Overexpression of miR‐582‐5p resulted in increased phosphorylation of YAP/TAZ with a concomitant reduction in cell proliferation and enhanced apoptosis. Mechanistically, we find that miR‐582‐5p targets actin regulators NCKAP1 and PIP5K1C, which may be responsible for the observed alteration in F‐actin, known to modulate YAP/TAZ. We postulate that regulation of the actin cytoskeleton by miR‐582‐5p may attenuate YAP/TAZ activity. Citation: Zhu, B. ; V, M. ; Finch‐Edmondson, M. ; Lee, Y. ; Wan, Y. ; Sudol, M. ; DasGupta, R. miR‐582‐5p is a Tumor Suppressor microRNA Targeting the Hippo‐YAP/TAZ Signaling Pathway in Non‐Small Cell Lung Cancer. Cancers 2021, 13, 756. https://doi.org/ 10.3390/cancers13040756
Transition State Function

—This paper describes a way to improve the indoor navigation of mobile robots using radio frequency identification (RFID) technology. A net of RFID tags is deployed in the navigation space. A measurement system measures distances from the tags to the robot with in the presence of the firstorder Markov-Gauss colored measurement noise (CMN) and is combined with a digital gyroscope to measure the robot heading. To increase the localization accuracy, the Kalman filter (KF) and unbiased finite impulse response (UFIR) modified for CMN are used. It is shown that the navigation system developed is more accurate than the basic one employing the standard KF and UFIR filter.
Research Progress on Habitat Connectivity in Temperate Waters

Ecological connectivity, as a research method related to spatial ecology and conservation biology, has attracted increasing attention from researchers at home and abroad in recent years. Habitat connectivity, as a key link in ecological connectivity, is of great significance to promote offshore ecological restoration and protection. However, there has been less systematic research about habitat connectivity, which lacks corresponding theories and practices. Therefore, this paper discusses habitat connectivity from three aspects: (1) the concept of habitat connectivity is introduced and clarified, (2) the application of connectivity in artificial habitat and adjacent waters and its relationship with biodiversity conservation are reviewed and illustrated with examples, and (3) the future development trends of this research direction are summarized and prospected, in order to provide a scientific basis and useful reference for the related work of offshore restoration projects in China. Generally, this paper argues that an increase in human behavior irreversibly destroys the connectivity of marine habitats and threatens the temporal scales of biodiversity and ecosystem services. Therefore, the theoretical research results and practical experience of ecological connectivity should be fully applied to marine ecosystems, and the restoration of degraded ecosystems should be encouraged and supported in ways that promote natural recovery.
The Impact of Rebate Distribution on Fairness Concerns in Supply Chains

The reasonable distribution of supply chain profits among supply chain members is the core of the stability of a supply chain. Manufacturer rebates are a normal method to improve the performance of a supply chain and balance profit distribution. Based on consideration of the behavior preferences of supply chain members, in this paper, we study the influence of rebate distribution on supply chain utility. We establish a supply chain utility model, including the proportion of distribution, fairness concern coefficient and effort level, and discuss three different situations of supply chain members. The results show that (i) a manufacturer’s rebate can more effectively improve the utility in a supply chain with fairness perception; (ii) with other conditions unchanged, the fairness perception of supply chain members will have a positive impact on their own utility; and (iii) at the same time, when the party who has more discourse power in the supply chain has a sense of fairness, this is conducive to realizing the stable development of the supply chain through changes in the proportion of rebate distribution.
Environmentally Robust Black Phosphorus Nanosheets in Solution: Application for Self‐Powered Photodetector

Large‐size 2D black phosphorus (BP) nanosheets have been successfully synthesized by a facile liquid exfoliation method. The as‐prepared BP nanosheets are used to fabricate electrodes for a self‐powered photodetector and exhibit preferable photoresponse activity as well as environmental robustness. Photoelectrochemical (PEC) tests demonstrate that the current density of BP nanosheets can reach up to 265 nA cm−2 under light irradiation, while the dark current densities fluctuate near 1 nA cm−2 in 0.1 M KOH. UV–vis and Raman spectra are carried out and confirm the inherent optical and physical properties of BP nanosheets. In addition, the cycle stability measurement exhibits no detectable distinction after processing 50 and 100 cycles, while an excellent on/off behavior is still preserved even after one month. Furthermore, the PEC performance of BP nanosheets‐based photodetector is evaluated in various KOH concentrations, which demonstrates that the as‐prepared BP nanosheets may have a great potential application in self‐powered photodetector. It is anticipated that the present work can provide fundamental acknowledgement of the performance of a PEC‐type BP nanosheets‐based photodetector, offering extendable availabilities for 2D BP‐based heterostructures to construct high‐performance PEC devices.
New sequential algorithm using Mac-2 binding protein glycosylation isomer to detect advanced carotid artery atherosclerosis

Background Although carotid artery sonography is widely performed, most guidelines do not recommend this procedure in the general population. Appropriate indications and effective algorithms are needed to detect advanced carotid artery atherosclerosis in a community setting. Methods This study was designed as cross-sectional study. Adult subjects (n=228) who underwent a health check-up at our healthcare centre were included in the final analysis. Mac-2 binding protein glycosylation isomer (M2BPGi) quantification was based on a lectin antibody sandwich immunoassay. Subclinical atherosclerosis was diagnosed by carotid ultrasonography. Results The prevalence of subclinical atherosclerosis and advanced atherosclerosis was 37.2% (85/228) and 11.8% (27/228), respectively, in a community-based setting. Serum M2BPGi level was significantly higher in subjects with calcified plaque (0.6317) and luminal stenosis (0.6373) than in control groups (0.4913, all P<0.05). Pearson correlation analysis between M2BPGi and atherosclerotic cardiovascular disease (ASCVD) risk index (R=0.410, P<0.001) showed a positive relationship. The AUROC of serum M2BPGi for identifying calcified plaque or luminal stenosis was 0.679. The sequential algorithm using ASCVD and M2BPGi showed good negative predictive value (NPV) (93.6%) and reasonable positive predictive value (PPV) (53.8%) for identifying calcified plaque or luminal stenosis. When the sequential algorithm was used as an indicator for carotid ultrasonography, 35.0% (14/40) of subjects with intermediate-risk by ASCVD (≥7.5%) could avoid unnecessary carotid ultrasonography. Conclusions The sequential algorithm using ASCVD (≥7.5) and M2BPGi (≥0.525) provided reasonable indication for carotid artery sonography in a community-based setting.
Structural and optical properties of n-type and p-type GaAs(1−x)Bi x thin films grown by molecular beam epitaxy on (311)B GaAs substrates

In this paper, we report on the structural and optical properties of n-type Si-doped and p-type Be-doped GaAs(1−x)Bi x thin films grown by molecular beam epitaxy on (311)B GaAs substrates with nominal Bi content x = 5.4%. Similar samples without Bi were also grown for comparison purposes (n-type GaAs and p-type GaAs). X-ray diffraction (XRD), micro-Raman at room temperature, and photoluminescence measurements as a function of temperature and laser excitation power (P EXC) were performed to investigate their structural and optical properties. XRD results revealed that the Bi incorporation in both n-type and p-type doped GaAsBi was similar, despite that the samples present remarkable differences in the number of Bi related defects, non-radiative centers and alloy disorder. Particularly, our results evidence that the Bi-related defects in n- and p-doped GaAsBi alloys have important impact on the differences of their optical properties.