Miracle-dz/UniFAR-FTUs huggingface dataset:
A tungsten-rhenium interatomic potential for point defect studies

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K). A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liqu.
Searching for a maximum common induced subgraph by decomposing the compatibility graph

A maximum common induced subgraph measures the similarity between objects represented by graphs. Finding one is an NP-hard problem. We describe a decomposition method based on the compatibility graph that produces independent subproblems. We also present triangulation and 2-triangulation techniques that aim to achieve a good trade-off between the quality of the decomposition and the runtime needed to fulfill this decomposition. The experiments show that this method obtains very good results on difficult instances.
Tactical interaction of offensive and defensive teams in team handball analysed by artificial neural networks

ABSTRACT The interaction between teams behaviour is from high relevance for success in sports games. Since the analysis of this interaction is not well established, the present study attempts to model the interaction between opposing teams in team handball. Offensive and defensive playing patterns were determined by means of artificial neural networks from position data of 723 offensive action sequences and the corresponding defensive players, respectively. The most common combinations of these patterns were then analysed statistically. Pattern efficiency was assessed by scoring rate, distance between shooting position and nearest defensive player and distance to goal. No statistically significant relation between pattern combinations and efficiency was found. However, results revealed tendencies to higher efficiency of some tactical patterns. Furthermore, odds ratio analysis revealed advantageous defensive tactics against specific offensive behaviour. Summarizing, results indicate that artificial neural networks are appropriate to model the interaction between teams based on players’ positions.
Path Optimization of a Pumping Kite System

Airborne wind energy is a new research field that aims to harvest winds at high altitudes. The pumping kite concept investigated at the Delft University of Technology is based on leading edge inflatable kites that divide a generation cycle into three phases: traction, retraction, and transition. This research project aims to optimise the trajectory flown by the kite to increase the cost-competitiveness of the system. Thus, the complete system was simulated, and a sensitivity analysis was conducted. The results show that there is an area in the wind window that maximises the power production of the cycle. This area is defined by the wind speed, the shape of the figure, and the reel in/out force. Based on the findings, an algorithm that seeks the optimal path during the flight was developed. In the case study, the algorithm led to a 100% increase in cycle power and a 16% increase in the average traction power.
Moving distance measurement for hydraulic support based on fruit fly optimization algorithm

Abstract. Due to the inaccurate and unreliable moving distance measurement of the hydraulic support in mines, a method based on the random circle detection (RCD) algorithm and the fruit fly optimization algorithm (FOA) is proposed. According to the changing center and radium of the circle on the support, the relative position of adjacent supports is acquired by the camera. The noise of the collected image is moved, and the edge feature is protected using a bilateral filter. A local adaptive threshold algorithm is used for binary processing of the image. Then, RCD is used to detect the contour, which is similar to the circle. A method to detect the circle based on FOA is used to accurately detect the circle. Subsequently, the relative distance is calculated according to the change of the circle. Finally, the accuracy and reliability of the proposed method are verified though the experiment.
An Improved Energy Detection Scheme under Noisy Environment

— Spectrum sensing is the distinct feature of cognitive radio technology that makes it significant different from other wireless technologies developed so far. This feature embed cognition to the handheld device embeds Spectrum sensing gives an idea of detecting the presence of the incumbent users in a licensed spectrum. In most of the previous works, researchers either have taken fixed threshold or adapted it based on signal to noise ratio at receiver end. In this paper, we have used channel information rather than signal to noise ratio to decide threshold of an energy detector and shown that our proposed technique improves detection probability and reduce false alarm probability over state of art techniques available so far.
Edge-magic labeling matrices of the composition of paths with null graphs

Given two graphs G and H. The composition of G with H is the graph with vertex set V (G)×V (H) in which (u1, v1) is adjacent to (u2, v2) if and only if u1u2 ∈ E(G) or u1 = u2 and v1v2 ∈ E(H). In this talk, we shall construct some matrices with some special row sums, column sums or diagonal sums. By using these matrices we obtain an edge-magic labeling of the composition of Pn with Nn. Also we obtain an edge-magic labeling of the composition of Pm with Nmk for odd mk with m ≥ 3 and k ≥ 1.
The Method of Leader's Overthrow in Networks

Methods for leader’s detection and overthrow in networks are useful tools for decision-making in many real-life cases, such as criminal networks with hidden patterns or money laundering networks. In the given research, we represent the algorithms that detect and overthrow the most influential node to the weaker positions following the greedy method in terms of structural modifications. We employed the concept of Shapley value from the area of cooperative games to measure a node’s leadership and used it as the core of the developed leader’s overthrow algorithms. The approaches are illustrated based on the trivial network structures and tested on real-life networks. The results are represented in tabular and graphical formats.
Evidence of Vestibular and Balance Dysfunction in Patients With Mild Cognitive Impairment and Alzheimer’s Disease

Objectives: Given the expected rise in dementia prevalence, early diagnosis is vital. As a growing body of literature has identified a potential association between vestibular function and cognition, vestibular assessment may aid in early screening. The aim of the study was to better comprehend the proposed association between vestibular function and Alzheimer’s disease (AD) by comparing vestibular parameters (vestibular function testing and clinical balance measures) between a group with mild cognitive impairment (MCI), AD, and healthy controls with age-normal cognition. Design: Cross-sectional analysis of the GECkO study, an ongoing prospective single-center longitudinal cohort study. This study included 100 older adults (55 to 84 years). A total of 33 participants with MCI, 17 participants with AD, and 50 participants of age, sex, and hearing-matched healthy controls were included. Results: Participants with AD demonstrated a delayed latency of the p13 component measured by cervical vestibular-evoked myogenic potentials (cVEMP) compared with healthy controls and participants with MCI. Other measures including n23 latency, presence of intact responses, rectified amplitude, mean rectified voltage (measured by cVEMP) and lateral vestibulo-ocular reflex gain (measured by video Head Impulse Test [vHIT]) did not differ between groups. The Timed Up and Go (TUG), Performance-Oriented Mobility Assessment—Balance subscale (POMA-B), and Functional Gait Assessment (FGA) differed significantly between the three groups. Here, more cognitively impaired groups were associated with worse clinical balance scores. Conclusions: Vestibular and balance deficits were more prevalent in groups with increasing cognitive decline. Regarding vestibular function testing, p13 latency as measured by cVEMP was delayed in participants with AD. Other cVEMP or vHIT measures did not differ between groups. All three clinical balance assessments (TUG, POMA-B, and FGA) resulted in worse scores along the AD continuum. Future research integrating vestibular parameters that add value (including otolith function testing, balance, and spatial navigation) is recommended to validate the association between vestibular function and cognition while avoiding redundant testing.
Vertebral CT attenuation outperforms standard clinical fracture risk prediction tools in detecting osteoporotic disease in lung cancer screening participants

Objectives: Compare accuracy of vertebral Hounsfield Unit (VHU) attenuation and FRAX and Garvan Fracture Risk Calculators in identifying low bone mineral density (BMD) and prevalent vertebral compression fractures (VF) in lung cancer screening (LCS) participants. Methods: Baseline CT scans from a single site of the International Lung Screen Trial were analysed. BMD was measured using VHU (of the most caudally imaged vertebra) and quantitative CT (QCT) (low BMD defined as <110 HU and <120 mg/cm3, respectively). Prevalent VF were classified semi-quantitatively. 10-year FRAX and Garvan fracture risks were calculated using dual energy X-ray absorptiometry (DXA) femoral neck T-score where available. Discrimination was assessed by area under receiver-operating characteristic curves (AUC). Results: 535 LCS participants were included; 41% had low VHU-BMD, 56% had low QCT-BMD and 10% had ≥1 VF with ≥25% vertebral height loss. VHU demonstrated 94% specificity and 70% sensitivity in identifying low QCT-BMD. VHU was superior to fracture risk tools in discriminating low QCT-BMD (AUC: VHU 0.94 vs FRAX 0.67, Garvan 0.64 [p < 0.05]). In 64 participants with recent DXA scans, VHU was superior to FRAXT-score and GarvanT-score in discriminating low QCT-BMD (AUC: VHU 0.99, FRAXT-score 0.71, GarvanT-score 0.71 [p < 0.05]). VHU was non-inferior to FRAXT-score and GarvanT-score in discriminating VF (AUC: VHU 0.65, FRAXT-score 0.53, GarvanT-score 0.61). Conclusions: VHU outperforms clinical risk calculators in detecting low BMD and discriminates prevalent VF equally well as risk calculators with T-scores, yet is significantly simpler to perform. Advances in knowledge: VHU measurement could aid osteoporosis assessment in high-risk smokers undergoing LCS.
The impact of rivastigmine on post‐surgical delirium and cognitive impairment; a randomized clinical trial

Delirium is an acute and transient disorder of brain function that often occurs in post‐surgical patients. Rivastigmine is a cholinesterase inhibitor drug that has been proposed as an adjuvant drug in recent years, still, despite significant theoretical evidence, few clinical studies have been performed on its impact on delirium.
Association of Hyperlipidemia With Perioperative Complications in Posterior Cervical Spine Fusion

Study Design: A retrospective database study. Objectives: The purpose of the current study was to investigate the impact of hyperlipidemia (HLD) on the incidence of perioperative complications associated with posterior cervical spine fusion (PCF). Background: HLD is a very common disease that leads to atherosclerosis. Therefore, it can cause fatal diseases as well as lifestyle-related diseases. The possible impact of HLD on outcomes after PCF has not yet been investigated. Methods: Patients with cervical degeneration underwent initial PCF from 2010 through the third quarter of 2020 using the MSpine subset of the PearlDiver Patient Record Database. The incidence of perioperative complications was queried using relevant ICD-9, 10, and CPT codes. χ2 analysis was performed in age-, sex-, and Charlson Comorbidity Index (CCI)-matched populations to compare between non-HLD and HLD patients in each single-level and multilevel PCF. Results: Through propensity score matching, 1600 patients each in the HLD and non-HLD groups were analyzed in the single-level PCF, 6855 patients were analyzed in the multilevel PCF were analyzed. The comorbidity of HLD significantly decreased the incidence of respiratory failure in single-level PCF (OR=0.58, P<0.01). In the multilevel PCF, the presence of HLD increased the incidence of cervicalgia (OR=1.26, P=0.030). On the contrary, the incident of spinal cord injury (OR=0.72, P<0.01), dysphagia (OR=0.81, P=0.023), respiratory failure (OR=0.85, P=0.030), pneumonia (OR=0.70, P=0.045), neurological bladder (OR=0.84, P=0.041), and urinary tract infection (OR=0.85, P=0.021) in the HLD group were significantly lower than those in non-HLD group. Conclusions: In the current study, the presence of HLD significantly increased the incidence of postoperative cervicalgia in multilevel PCF. On the other hand, the incidence of some complications was significantly decreased with HLD. Further studies are needed taking into account other factors such as the treatment of HLD, its efficacy, and intraoperative events. Level of Evidence: Level III.
Estimation of Missing Data Using Convoluted Weighted Method in Nigeria Household Survey

The analysis of survey data becomes difficult in the presence of missing data. By the use of Least Squares and Stein Rule method, estimator for the parameters of interest can be obtained. In this study, proposed convoluted Weighted Least Squares and Stein Rule method is compared with some existing techniques where the data is considered missing completely at random (MCAR). The results show that other techniques are occasionally useful in estimating most of the parameter, but proposed (LSSR) technique perform better regardless of the percentage of the missing data under MCAR assumption.
Dose-escalation part of Phase I study of single-agent mosunetuzumab in Japanese patients with relapsed/refractory B-cell non-Hodgkin lymphoma

Abstract Objective This dose-escalation part of an ongoing Phase I study assessed the tolerability, safety and pharmacokinetics of mosunetuzumab in Japanese patients with relapsed/refractory B-cell non-Hodgkin lymphoma (NHL). Methods Mosunetuzumab was administered intravenously, with step-up dosing in a 3 + 3 design, on Days 1, 8 and 15 of Cycle 1, and Day 1 of each subsequent 21-day cycle for up to 17 cycles to patients across five cohorts with different target doses (2.8, 6.0, 13.5, 27.0 or 60.0 mg). Results As of 5 July 2022, 23 patients had received mosunetuzumab. The median patient age was 63.0 years, 56.5% of patients were male, and 69.6% of patients had diffuse large B-cell lymphoma, 17.4% had transformed follicular lymphoma (FL) and 13.0% had FL. The median number of prior lines of therapy was 4. Mosunetuzumab was well tolerated and there were no deaths. The most common adverse events (any grade) were neutropenia/neutrophil count decreased (47.8%) and cytokine release syndrome (34.8%). Most cytokine release syndrome events were Grade 1/2 (one Grade 3), and most occurred within 24 hours of the first dose of mosunetuzumab. The apparent half-life of mosunetuzumab was 4.1–5.0 days. Two patients achieved a complete response, and 11 patients achieved a partial response. Conclusions This study demonstrated that mosunetuzumab has an acceptable safety profile and antitumor activity in Japanese patients with relapsed/refractory B-cell NHL. The recommended Phase II dose of 1.0/2.0/60.0/60.0/30.0 mg was tolerable and there were no new or different safety signals compared with the global Phase I study.
Crystal Structure of de Novo Designed Coiled-Coil Protein Origami Triangle

Coiled-coil protein origami (CCPO) uses modular coiled-coil building blocks and topological principles to design polyhedral structures distinct from those of natural globular proteins. While the CCPO strategy has proven successful in designing diverse protein topologies, no high-resolution structural information has been available about these novel protein folds. Here we report the crystal structure of a single-chain CCPO in the shape of a triangle. While neither cyclization nor the addition of nanobodies enabled crystallization, it was ultimately facilitated by the inclusion of a GCN2 homodimer. Triangle edges are formed by the orthogonal parallel coiled-coil dimers P1:P2, P3:P4, and GCN2 connected by short linkers. A triangle has a large central cavity and is additionally stabilized by side-chain interactions between neighboring segments at each vertex. The crystal lattice is densely packed and stabilized by a large number of contacts between triangles. Interestingly, the polypeptide chain folds into a trefoil-type protein knot topology, and AlphaFold2 fails to predict the correct fold. The structure validates the modular CC-based protein design strategy, providing molecular insight underlying CCPO stabilization and new opportunities for the design.
Anti‐C1q antibodies in lupus nephritis children with glomerular microthrombosis

Glomerular microthrombosis (GMT) was a common vascular lesion in patients with lupus nephritis (LN). The objective of this study was to investigate the relationship between serum anti‐beta2‐glycoprotein I antibodies (a‐β2GP1) and anti‐complement 1q antibodies (a‐C1q) antibodies and to investigate the possible mechanism of GMT in children with LN.
Simulation of Drucker–Prager granular flows inside Newtonian fluids

Granular-fluid interactions appear in a variety of real-life scenarios ranging from immersed avalanches to ash clouds. We present a continuum-based numerical method for the simulation of such phenomena. Our approach avoids the heavy computational cost inherent to a fluid-solid coupling at the grain scale, while still being able to capture the distinctive regimes governing the collapse of an immersed granular column. To the best of our knowledge, the method presented here is the first to combine fully-coupled two-phase equations for immersed granular flows with an implicit nonsmooth treatment of the Drucker–Prager rheology.
Functional connectivity during tic suppression predicts reductions in vocal tics following behavior therapy in children with Tourette syndrome

Abstract Background Comprehensive Behavioral Intervention for Tics (CBIT) is recommended as a first-line treatment for Tourette syndrome in children and adults. While there is strong evidence proving its efficacy, the mechanisms of reduction in tic severity during CBIT are still poorly understood. In a recent study, our group identified a functional brain network involved in tic suppression in children with TS. We reasoned that voluntary tic suppression and CBIT may share some mechanisms and thus we wanted to assess whether functional connectivity during tic suppression was associated with CBIT outcome. Methods Thirty-two children with TS, aged 8 to 13 years old, participated in a randomized controlled trial of CBIT v. a treatment-as-usual control condition. EEG was recorded during tic suppression in all participants at baseline and endpoint. We used a source-reconstructed EEG connectivity pipeline to assess functional connectivity during tic suppression. Results Functional connectivity during tic suppression did not change from baseline to endpoint. However, baseline tic suppression-related functional connectivity specifically predicted the decrease in vocal tic severity from baseline to endpoint in the CBIT group. Supplementary analyses revealed that the functional connectivity between the right superior frontal gyrus and the right angular gyrus was mainly driving this effect. Conclusions This study revealed that functional connectivity during tic suppression at baseline predicted reduction in vocal tic severity. These results suggest probable overlap between the mechanisms of voluntary tic suppression and those of behavior therapy for tics.
Transneuronal Circuit Analysis with Pseudorabies Viruses

Our ability to understand the function of the nervous system is dependent upon defining the connections of its constituent neurons. Development of methods to define connections within neural networks has always been a growth industry in the neurosciences. Transneuronal spread of neurotropic viruses currently represents the best means of defining synaptic connections within neural networks. The method exploits the ability of viruses to invade neurons, replicate, and spread through the intimate synaptic connections that enable communication among neurons. Since the method was first introduced in the 1970s, it has benefited from an increased understanding of the virus life cycle, the function of viral genomes, and the ability to manipulate the viral genome in support of directional spread of virus and the expression of transgenes. In this article, we review these advances in viral tracing technology and the ways in which they may be applied for functional dissection of neural networks. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.
Robust Weighted Kernel Logistic Regression to predict gene-gene regulatory association

Gene-gene associations are usually inferred from correlations between pairs of genes in different types of biological data such as microarray expression measurements. However coexpression (or correlation) based associations are meaningful only when data sets share the same experimental conditions. In addition, correlation does not indicate a regulatory relationship between two genes. In this work, we adopt another approach to identify connected (with regulatory relationship) pairs of genes utilizing genome-wide expression data with a wide range of different experimental conditions. The number of connected pairs of genes is typically a very small number compared to the total number of pairs in the whole genome. Thus, we can assume that gene-gene connection is a rare event that can be predicted using special classification algorithms. The algorithm used here is called Rare Event-Weighted Kernel Logistic Regression (RE-WKLR). The features that define each pair of genes are the moments of joint probability distribution of expression levels of these two genes. This approach is applied to Saccharomyces cerevisiae genome. The accuracy of RE-WKLR in predicting gene-gene connections is compared with that of Support Vector Machines (SVM) and is found to be higher than that of SVM.