Miracle-dz/UniFAR-FTUs huggingface dataset:
Density Functional Theory Study of Metal-Organic Frameworks for Enhancement of Photo-Anode Properties

The optoelectronic properties of dye zinc and titanium-based metal-organic framework (MOF) compounds with regard to their application as photo-anode material characterized in solar cells were investigated. Analyses of the optoelectronic properties were performed on the MOF single crystal unit cell with adsorbed dye to determine the electronic and optical properties of the relevant materials. The electronic and optical properties were predicted by density functional theory (DFT) calculations. The results show that the absorption of light occurs for the examined MoF compounds from the near UV to the (visible) blue spectral range, at optical band gap sizes from 2.8 eV up to 3.88 eV. Dye sensitization of MOF with eosin Y or crown ether gave additive UV-Vis spectra. An improvement in band gap or an improved electron injection could be archived as well. Moreover, the light absorption does not solely depend on the linkers used, but also from the metal atoms in the secondary building unit. The fluorescence of MOFs depends on the linker and especially on the linker coordination and their rotation relative to each other. The utilizations of MOFs and their derivatives as electrodes, photoactive materials, charge carriers and additives in different solar cells are highlighted.
Magnetic polaron conductivity in FeCr2S4 with the colossal magnetoresistance effect

The magnetic and electrical transport properties of the colossal magnetoresistance material FeCr2S4 are studied. Low-temperature thermoelectric power and resistivity measurements indicate that magnetic polarons dominate the conduction behavior at temperatures above T-c(onset). The temperature dependence of the susceptibility chi, measured from 4.2 to 400 K, suggests that FeCr2S4 is ferrimagnetic. Then the micromagnetism of FeCr2S4 is further investigated by electron-spin-resonance measurements from 100 to 290 K, which reveal that the paramagnetic-ferromagnetic transition is incomplete and that a paramagnetic phase coexists with a ferrimagnetic phase in a certain temperature range below T-c(onset). Accompanying the paramagnetic-ferrimagnetic phase transition, magnetic polarons may delocalize gradually into the naked carriers. The resistivity in the presented temperature range can be described in terms of the two-fluid model concerning the coexistence of magnetic polarons and naked carriers.
Three‐dimensional scan‐based algorithm for directional neighbor discovery in ad hoc networks

In recent years, neighbor discovery techniques using directional antennas have attracted widespread attention. Most currently available directional neighbor discovery techniques are designed based on two‐dimensional (2D) space. Although these algorithms can accomplish the discovery between nodes, the algorithm portability is poor for three‐dimensional (3D) platforms, and the application scenarios are limited since new communication scenarios such as unmanned aerial vehicle (UAV) groups and maritime fleets emerge where information needs to be delivered in real time and nodes are located in 3D space. This paper proposes a new deterministic directional neighbor discovery algorithm in 3D space named 3D scan‐based algorithm (3D‐SBA) to meet the needs of the line‐of‐sight (LOS) scenes. Four existing neighbor discovery algorithms, namely, SBA‐based random mode selection (SBA‐R), quorum, complete random algorithm (CRA), and SBA‐based leader election algorithm (LE), have been extended to our proposed 3D algorithm model for simulation and comparative analysis with 3D‐SBA. The simulation results show that the 3D‐SBA algorithm consumes 51.15%, 180.20%, 9.48%, and 17.49% of the time slots compared with the four existing algorithms mentioned above. However, the quorum algorithm has a very high node collision rate, up to 92.11%. Ultimately, the 3D‐SBA algorithm has the best performance considering the conflicts and the density of network nodes.
The comparison of the ornithofauna of bara Dvorina and Gajna - the Sava River floodplains in eastern Croatia

The ornithofauna research of Bara Dvorina and Gajna pasture, both open floodplains of the Sava River protected by the Croatian law, and a part of Natura 2000 ecological network, was conducted monthly in 2021, with 12 field visits at each site, which included breeding, migration
Hall effect measurements on strained and unstrained thin films of La0.7Ca0.3MnO3 and La0.7Sr0.3MnO3

We have studied the Hall effect in thin films of La0.7Ca0. 3MnO3 and La0.7Sr0. 3MnO3 deposited on SrTiO3 (STO), NdGaO3 (NGO), and LaSrGaO3 (LSGO) substrates in a temperature range from below (10 K) to above (400 K) the metal-insulator transition, in magnetic fields up to 9 T, and for thicknesses between 7 and 75 nm. The charge-carrier density as calculated from the Hall voltage in a single-band picture shows bulklike values for the thick films, but a significant decrease in thin films (below 20 nm), both for strained thin films (on STO) and unstrained thin films on NGO, although less in the case of LSGO. It is well known, however, that a single-band model is not appropriate for the manganates, in which both electron and hole surfaces occur simultaneously. We therefore analyzed the data in a two-band scenario. We still come to the conclusion that the carrier density in the thin films, both strained and unstrained, is lower than in the thicker bulklike films. We discuss this in terms of charge discontinuities at the various interfaces, which appear to play a significant role.
Double Thermalization via AdS/CFT

We exploit the AdS/CFT correspondence to investigate thermalization in an N=2 strongly coupled gauge theory including massless fundamental matter (quark). More precisely, we consider the response of a zero temperature state of the gauge theory under variation of an external electric field leading to a time-dependent current. The holographic dual of the above set-up is given by introducing a time-dependent electric field on the probe D7-brane embedded in an AdS_5 X S^5 background. In the dual gravity theory, due to a time-dependent electric field an apparent horizon forms on the brane which, according to AdS/CFT dictionary, is the counterpart of the thermalization process in the gauge theory. We classify different functions for time-dependent electric field and study their effect on the apparent horizon formation. In the case of pulse functions where the electric field varies from zero to zero, apart from non-equilibrium phase, we observe that two apparent horizons form on the brane. On the gauge theory side, it means that the state of the gauge theory experiences two different temperatures during the time evolution.
Examining the role of personal innovativeness and trust in predicting generation Z’s online booking behaviour

This study responds to the Technological Acceptance Model (TAM) critics regarding the model's missing self-regulatory and motivational variables. The research integrates personal innovativeness and perceived risk in the TAM model and explores the interrelationships among those constructs. A self-administered questionnaire was used to collect the data for this study, and 293 consumers of the Indonesia Online Travel Agent (OTA) industry participated. The data were analysed using Partial Least Square, which employed the inner and outer model evaluations to analyse the data. The results demonstrated that Generation Z's attitude toward using the OTA application is positively affected by its perceived usefulness and ease of use. Moreover, three variables significantly affect Generation Z's behavioural intention to use e-commerce applications. Personal innovativeness significantly affects perceived transaction risks and attitudes toward using the OTA application. These results imply that in order to enhance customers’ willingness to keep using the application, the OTA practitioners should ensure that their customers experiencing the ease-of-use dan the usefulness of the application, so that the customers will have a greater willingness to use the same application in the future.
The Uncomplemented Subspace K(X,Y)

Abstract A vector measure result is used to study the complementation of the space $K\left( X,Y \right)$ of compact operators in the spaces $W\left( X,Y \right)$ of weakly compact operators, $CC\left( X,Y \right)$ of completely continuous operators, and $U\left( X,Y \right)$ of unconditionally converging operators. Results of Kalton and Emmanuele concerning the complementation of $K\left( X,Y \right)$ in $L\left( X,Y \right)$ and in $W\left( X,Y \right)$ are generalized. The containment of ${{c}_{0}}$ and ${{\ell }_{\infty }}$ in spaces of operators is also studied.
Long-Term Monitoring of Cardiac Involvement under Migalastat Treatment Using Magnetic Resonance Tomography in Fabry Disease

Abstract Background: Fabry cardiomyopathy is characterized by left ventricular hypertrophy, myocardial fibrosis, arrhythmia, and premature death. Treatment with migalastat, an oral pharmacological chaperone, was associated with a stabilization of cardiac biomarkers and a reduction in left ventricular mass index, as measured by echocardiography. A recent study, using cardiac magnetic resonance (CMR) as the gold standard, found a stable course of myocardial involvement after 18 months of treatment with migalastat. Our study aimed to provide long-term CMR data for the treatment with migalastat. Methods: A total of 11 females and four males with pathogenic amenable GLA mutations were treated with migalastat and underwent 1.5T CMR imaging for routine treatment effect monitoring. The main outcome was a long-term myocardial structural change, reflected by CMR. Results: After migalastat treatment initiation, left ventricular mass index, end diastolic volume, interventricular septal thickness, posterior wall thickness, estimated glomerular filtration rate, and plasma lyso-Gb3 remained stable during the median follow-up time of 34 months (min.: 25; max.: 47). The T1 relaxation times, reflecting glycosphingolipid accumulation and subsequent processes up to fibrosis, fluctuated over the time without a clear trend. No new onset of late gadolinium enhancement (LGE) areas, reflecting local fibrosis or scar formation of the myocardium, could be detected. However, patients with initially present LGE showed an increase in LGE as a percentage of left ventricular mass. The median α-galactosidase A enzymatic activity increased from 37.3% (IQR 5.88–89.3) to 105% (IQR 37.2–177) of the lower limit of the respective reference level (p = 0.005). Conclusion: Our study confirms an overall stable course of LVMi in patients with FD, treated with migalastat. However, individual patients may experience disease progression, especially those who present with fibrosis of the myocardium already at the time of therapy initiation. Thus, a regular treatment re-evaluation including CMR is needed to provide the optimal management for each patient.
Ensemble Kernel-Mapping-Based Ranking Support Vector Machine for Software Defect Prediction

Rank-oriented software defect prediction (ROSDP) aims to establish a model to predict the testing priority of software modules according to defect severity for the reasonable allocation of limited testing resources. Some ROSDP methods construct the prediction model by a linear model with respect to software features. However, in software repositories, the linear condition between testing priority and software feature is not satisfied, and the ranking performance of the linear prediction model is limited. Thus, in order to relax the limitation of the linear prediction model and improve the ranking performance, ensemble kernel-mapping-based ranking support vector machine (EKMRSVM) is developed based on the theories of ranking SVM, which builds a nonlinear ranking function approximated by the kernel-mapping-based method. Furthermore, the sequential minimal optimization algorithm is developed to derive the ideal parameters of the nonlinear ranking function, and ensemble learning is introduced to reduce time costs and guarantee ranking performance. Experimental results on 20 open source datasets indicate that introducing the kernel mapping method in EKMRSVM is very effective in performance improvement, and ensemble learning makes the proposed ranking algorithm very competitive in terms of time costs. Thus, based on the comparative results of some baseline methods, EKMRSVM with the appropriate kernel function can achieve better ranking performance.
Observations of Fog‐Aerosol Interactions Over Central Greenland

Supercooled fogs can have an important radiative impact at the surface of the Greenland Ice Sheet, but they are difficult to detect and our understanding of the factors that control their lifetime and radiative properties is limited by a lack of observations. This study demonstrates that spectrally resolved measurements of downwelling longwave radiation can be used to generate retrievals of fog microphysical properties (phase and particle effective radius) when the fog visible optical depth is greater than ∼0.25. For 12 cases of fog under otherwise clear skies between June and September 2019 at Summit Station in central Greenland, nine cases were mixed‐phase. The mean ice particle (optically‐equivalent sphere) effective radius was 24.0 ± 7.8 µm, and the mean liquid droplet effective radius was 14.0 ± 2.7 µm. These results, combined with measurements of aerosol particle number concentrations, provide evidence supporting the hypotheses that (a) low surface aerosol particle number concentrations can limit fog liquid water path, (b) fog can act to increase near‐surface aerosol particle number concentrations through enhanced mixing, and (c) multiple fog events in quiescent periods gradually deplete near‐surface aerosol particle number concentrations.
NUMERICAL SIMULATION OF TURBULENT FLOW AROUND HYDROFOIL BY SPALART-ALLMARAS MODEL

The objective of this research paper is to use COMSOL MULTIPHYSICS software to simulate turbulent flow around two-dimensional hydrofoil by Spalart-Allmaras model. The computational results for the hydrodynamic performance of S809 hydrofoil at various angles of attack operating at Reynolds numbers of Re = 2× 10 6 were compared to existing experimental data from reliable sources using S809 hydrofoil. Notably, an unstructured mesh with 1,11,084 cells had already been identified as the best fit for numerical simulations. The impact of various turbulence models, especially Spalart–Allmaras on the predicted hydrodynamic forces like lift, drag, pressure are also analyzed. The computed result showed that the coefficient of lift, drag and pressure increased as angle of attack increased. From pressure contours, it was noticed that there was no flow separation at low angle of attacks but began to separate at high angle of attacks. Velocity contours and streamlines are also analyzed.
Postoperative Atrial Fibrillation Following Off-Pump Coronary Artery Bypass Graft Surgery: Elderly Versus Young Patients

Background Atrial fibrillation (AF) is one of the common rhythm disturbances that occur after coronary artery bypass graft (CABG) surgery. Postoperative atrial fibrillation (POAF) can lead to thromboembolic events, hemodynamic instability, and prolonged hospital stay, affecting morbidity and influencing short and long-term outcomes after CABG. Methodology This prospective comparative study was conducted between May 2018 and April 2020. This study aimed to compare the prevalence of POAF following off-pump coronary artery bypass graft surgery (OPCAB) between elderly and young patients. Additionally, we aimed to determine the risk factors associated with POAF following OPCAB in the elderly compared to young patients. Patients aged ≥65 years were considered elderly, and those aged <65 years were considered young. A total of 120 patients (60 in the elderly group and 60 in the young group) were included in this study and evaluated to correlate the preoperative and intraoperative risk factors with postoperative outcomes during the hospital stay. Results The prevalence of POAF following OPCAB in the elderly was significantly higher compared to young patients (48.3% vs. 20%,p = 0.002). The elderly group also had a significantly longer intensive care unit stay (p = 0.001) and hospital stay (p = 0.001). In an unadjusted logistic regression model, age (odds ratio (OR) = 3.74, 95% confidence interval (CI) = 1.66-8.41, p = 0.001), preoperative plasma B-type natriuretic peptide (OR = 1.01, 95% CI = 1.00-1.01, p = 0.001), and left atrial diameter (OR = 1.10, 95% CI = 1.03-1.17, p = 0.001) were significantly associated with POAF. However, in an adjusted logistic regression model, age was found to be an independent predictor (OR = 1.31, 95% CI = 1.14-1.52, p < 0.0001) of POAF following OPCAB. Although stroke developed in the elderly (p >0.05), no mortality was observed postoperatively. Conclusions The prevalence of POAF following OPCAB in the elderly is higher than in young patients. Advancing age is an independent predictor of POAF following OPCAB.
Numerical investigation on the combined effects of pinching and rotation on the performance of a high-speed centrifugal compressor with a vaneless diffuser

Computational investigations are carried out on a high-speed centrifugal compressor with the vaneless diffuser to study the combined pinch and rotation effect. The axial inlet width of the rotating vaneless diffuser is reduced at diffuser inlet, either at the hub wall or at the shroud wall, or both the walls. The reduction is varied from 0% (base case) to 20% at an interval of 5%. Numerical simulations are conducted for different speed range by varying the rotating diffuser diameter ratio from 1.25–1.75. Among all these cases, the best performance of 25% increase in pressure recovery with uniform diffusion and 2.3% increase in isentropic efficiency is obtained with 15% shroud pinch at a diameter ratio of 1.375 at the design mass flow rate.
Application of Clustering Method Based on Electromechanical Distance Between Different Units in Power System Dynamic Equivalence

Dynamic equivalence has been proved to be one of the effective measures to improve analysis speed with good precision. A new dynamic equivalence method based on the electromechanical distance is presented. Different quantified indexes are defined and used to describe the ties between different parts in the power system. The mechanical and electrical distances between different units and the transient dynamic response curves subjected to different faults are synthesized to find information about the electromechanical distance in the power system. The inner squared distances are used in the aggregation about the original system. Then the whole system is partitioned into internal and external subsystems according to the inner squared distances. Equivalence is carried out with the external system and equivalent parameters for the simplified system are calculated simultaneously. Finally, the simulation results concerning the New England 39-bus system show that the algorithm proposed has high accuracy and better calculation efficiency and the influence of the external system on the internal system is well retained.
Visualizing charge densities and electrostatic potentials in materials by synchrotron X-ray powder diffraction

Abstract The utilization of synchrotron X-ray powder diffraction (SXPD) has allowed us to better understand materials properties on the basis of charge densities and electrostatic potentials as well as atomic configurations in crystals. This article describes capability of SXPD in visualizing materials properties by a revisit to charge density studies and electrostatic potential imaging in manganese oxides, spin crossover complexes, transition metal cyanides, etc. Results obtained in our studies clearly warrant further research on visualization of electrostatic properties taking into account nanostructure analysis by total scattering.
Constrained Trajectory Optimization for Lunar Pin-Point Landing Based on Convex Optimization Theory

Taking account of the navigation and hazard detecting sensor FOV(Filed of View) constraint and the thrust constraint,the trajectory optimization algorithm for lunar pin-point landing is studied in this paper.Firstly,a three dimensional trajectory optimization model is established,the optimal thrust switch function is given out according to the Pontryagin maximum principle.Also,the singular interval of thrust is proved to be nonexistent.Then the nonlinear constrained optimal control problem is transformed into a second-order-cone parameter optimization problem through convex transformation and discretization.In the meanwhile,the parameter optimization problem is solved by using interior-point method.The feasibility and validity of the algorithm are verified by simulation results of different scenarios.
Chatbot Based Self-diagnosis for Disease Prediction using Machine Learning

Healthcare sector is shifting focus on improving services by adopting new technological approaches. This enriches the functional characteristics of diagnostic data. With the increase in need of Medical services and lack of availability of the resources, Healthcare Chatbot is an attempt to assist common people with primary health care by reducing the burden on medical frontline workers. The objective of this research work is to design a 24/7 available chatbot that answers common medical queries, predicts diseases based on the symptoms and radiology images provided, aids with medication/ precautionary measures that are to be followed. A chatbot can provide a customized one on one interaction through text or voice interface and gives reply using Artificial Intelligence. It responds differently to messages containing certain keywords and uses Machine Learning to adapt their responses to fit the situation. The healthcare chatbot handles a large number of requested queries at a time making it reliable to use. The chatbot responds to medical queries only to the best of its knowledge database.
Matrix Completion Algorithm for Internet of Things Localization

In this paper, we propose a matrix completion algorithm for Internet of Things (IoT) localization. The proposed algorithm recovers the Gram matrix of sensors by performing optimization over the Riemannian manifold of fixed-rank positive semidefinite matrices. We compute and show the closed forms of all the differentially geometric components required for applying nonlinear conjugate gradients combined with Armijo line search method. The numerical experiments show that the performance of the proposed algorithm in solving IoT localization is outstanding compared with the state-of-the-art matrix completion algorithms both in noise and noiseless scenarios.
Analysis of Increasing Tourism Competitiveness in Selayar Islands Regency

This study aims to examine the potential and analyze the competitiveness of maritime tourism in the Selayar Islands Regency using the SWOT analysis method, as well as to find out the optimal strategy for increasing the competitiveness of marine tourism in the Selayar Islands Regency. This type of research is qualitative with a descriptive approach. Data collection techniques are carried out by observation, interviews, and documentation. The data analysis technique used consists of condensing data, presenting data and drawing conclusions. The results showed that the SWOT analysis model increased the competitiveness of marine tourism, namely having strength in the form of high social cohesion; good service standards; the natural wealth and diversity of marine biota in the Selayar Islands Regency. The strategy of the Selayar Islands Regency Tourism and Culture Office in increasing the competitiveness of marine tourism is the development of the tourist market; tourism product development; development through increasing human resources; developing quality and sustainable marine tourism networks and partnerships; increasing the quality and diversity of business products and tourism services.