Miracle-dz/UniFAR-FTUs huggingface dataset:
Atomic-scale identification of nitrogen dopants in graphene on Ir(111) and Ru(0001)

Nitrogen (N) doped graphene materials have been synthesized using the sole precursor adenine on the Ir(111) and Ru(0001) surfaces. X-ray photoelectron spectroscopy and scanning tunneling microscopy (STM) have been used to characterize the obtained N-doped graphene materials. Several graphitic and pyridinic N dopants have been identified on the atomic scale by combining STM measurements and STM simulations based on density functional theory calculations.
NOVEL MILLIMETER WAVE SUBSTRATE INTEGRATED WAVEGUIDE FILTER WITH COMPACT CONFIGURATION

A novel millimeter wave substrate integrated waveguide(SIW) filter with compact configuration was presented.Its performance is improved apparently while the configuration is compacted.In the designed millimeter wave SIW filters,the length is reduced from 23.1mm of traditional filter to 12mm of novel filter.Measured results show that the stopband rejection of novel filters is more than 54dB,improved at least 12dB compared to the traditional filter with similar performance.The bandwidth of stopband with rejection better than 50dB has been expanded to more than 9GHz.It has a sharper transition characteristic at the upper sideband but still keeps the sharp transition characteristic at the lower sideband and low insertion loss,of the traditional SIW filter.
Low Replication Efficiency of a Japanese Rabbit Hepatitis E Virus Strain in the Human Hepatocarcinoma Cell Line PLC/PRF/5

A Japanese rabbit hepatitis E virus (HEV) strain, JP-59, has been identified in a feral rabbit. When this virus was transmitted to a Japanese white rabbit, it caused persistent HEV infection. The JP-59 strain shares an <87.5% nucleotide sequence identity with other rabbit HEV strains. Herein, to isolate JP-59 by cell culture, we used a 10% stool suspension recovered from a JP-59-infected Japanese white rabbit and contained 1.1 × 107 copies/mL of the viral RNA and using it to infect a human hepatocarcinoma cell line, PLC/PRF/5. No sign of virus replication was observed. Although long-term virus replication was observed in PLC/PRF/5 cells inoculated with the concentrated and purified JP-59 containing a high titer of viral RNA (5.1 × 108 copies/mL), the viral RNA of JP-59c that was recovered from the cell culture supernatants was <7.1 × 104 copies/mL during the experiment. The JP-59c strain did not infect PLC/PRF/5 cells, but its intravenous inoculation caused persistent infection in rabbits. The nucleotide sequence analyses of the virus genomes demonstrated that a total of 18 nucleotide changes accompanying three amino acid mutations occurred in the strain JP-59c compared to the original strain JP-59. These results indicate that a high viral RNA titer was required for JP-59 to infect PLC/PRF/5 cells, but its replication capability was extremely low. In addition, the ability of rabbit HEVs to multiply in PLC/PRF/5 cells varied depending on the rabbit HEV strains. The investigations of cell lines that are broadly susceptible to rabbit HEV and that allow the efficient propagation of the virus are thus needed.
Multiple Metabolites Derived from Mushrooms and Their Beneficial Effect on Alzheimer’s Diseases

Mushrooms with edible and medicinal potential have received widespread attention because of their diverse biological functions, nutritional value, and delicious taste, which are closely related to their rich active components. To date, many bioactive substances have been identified and purified from mushrooms, including proteins, carbohydrates, phenols, and vitamins. More importantly, molecules derived from mushrooms show great potential to alleviate the pathological manifestations of Alzheimer’s disease (AD), which seriously affects the health of elderly people. Compared with current therapeutic strategies aimed at symptomatic improvement, it is particularly important to identify natural products from resource-rich mushrooms that can modify the progression of AD. This review summarizes recent investigations of multiple constituents (carbohydrates, peptides, phenols, etc.) isolated from mushrooms to combat AD. In addition, the underlying molecular mechanisms of mushroom metabolites against AD are discussed. The various mechanisms involved in the antiAD activities of mushroom metabolites include antioxidant and anti-neuroinflammatory effects, apoptosis inhibition, and stimulation of neurite outgrowth, etc. This information will facilitate the application of mushroom-derived products in the treatment of AD. However, isolation of new metabolites from multiple types of mushrooms and further in vivo exploration of the molecular mechanisms underlying their antiAD effect are still required.
Predicting the Adoption of a Sustainable Diet in Adults: A Cross-Sectional Study in Italy

Shifting food choices towards sustainability entails the analysis of dietary behavior determinants. This study aimed to explain and predict the intention to follow a sustainable diet and its adoption in a representative sample of adults (n = 838) in Italy. An online survey based on the theory of planned behavior (TPB) was developed. The adoption of a sustainable diet was measured as self-perceived behavior, adherence to the Mediterranean diet (MD), and food consumption frequencies. Psychometric analysis and correlations between attitude, subjective norms, and perceived behavioral control (PBC) with both intention and behavior assessments were evaluated. Structural equation models were used to test whether and to what extent attitude, subjective norms, and PBC explained intention and behavior. Significant associations were found between TPB constructs and the behavior measures underlining the main role of intention and PBC in affecting behavior. The applied TPB models explained behavioral intention at most (78%). The results suggested promising interventions in narrowing the attitude–behavior gap to encourage specific adult population groups in Italy to adopt virtuous food consumption habits. Beside the implementation of price mechanism strategies, educational initiatives to increase awareness about food and diet sustainability issues and the reinforcement of the perceived control on food consumption at the individual level are recommended.
Influence of Exogenous Factors Related to Nutritional and Hydration Strategies and Environmental Conditions on Fatigue in Endurance Sports: A Systematic Review with Meta-Analysis

The aim of this systematic review with meta-analysis was to examine the influence of exogenous factors related to nutritional and hydration strategies and environmental conditions, as modulators of fatigue, including factors associated with performance fatigability and perceived fatigability, in endurance tests lasting 45 min to 3 h. A search was carried out using four databases: PubMed, Web of Science, SPORTDiscus, and EBSCO. A total of 5103 articles were screened, with 34 included in the meta-analysis. The review was registered with PROSPERO (CRD42022327203) and adhered to the PRISMA guidelines. The study quality was evaluated according to the PEDro score and assessed using Rosenthal’s fail-safe N. Carbohydrate (CHO) intake increased the time to exhaustion (p < 0.001) and decreased the heart rate (HR) during the test (p = 0.018). Carbohydrate with protein intake (CHO + PROT) increased lactate during the test (p = 0.039). With respect to hydration, dehydrated individuals showed a higher rate of perceived exertion (RPE) (p = 0.016) and had a higher body mass loss (p = 0.018). In hot conditions, athletes showed significant increases in RPE (p < 0.001), HR (p < 0.001), and skin temperature (p = 0.002), and a decrease in the temperature gradient (p < 0.001) after the test. No differences were found when athletes were subjected to altitude or cold conditions. In conclusion, the results revealed that exogenous factors, such as nutritional and hydration strategies, as well as environmental conditions, affected fatigue in endurance sports, including factors associated with performance fatigability and perceived fatigability.
Identification of Potent Inhibitors Targeting EGFR and HER3 for Effective Treatment of Chemoresistance in Non-Small Cell Lung Cancer

Non-small cell lung cancer (NSCLC) is the most common form of lung cancer. Despite the existence of various therapeutic options, NSCLC is still a major health concern due to its aggressive nature and high mutation rate. Consequently, HER3 has been selected as a target protein along with EGFR because of its limited tyrosine kinase activity and ability to activate PI3/AKT pathway responsible for therapy failure. We herein used a BioSolveIT suite to identify potent inhibitors of EGFR and HER3. The schematic process involves screening of databases for constructing compound library comprising of 903 synthetic compounds (602 for EGFR and 301 for HER3) followed by pharmacophore modeling. The best docked poses of compounds with the druggable binding site of respective proteins were selected according to pharmacophore designed by SeeSAR version 12.1. 0. Subsequently, preclinical analysis was performed via an online server SwissADME and potent inhibitors were selected. Compound 4k and 4m were the most potent inhibitors of EGFR while 7x effectively inhibited the binding site of HER3. The binding energies of 4k, 4m, and 7x were −7.7, −6.3 and −5.7 kcal/mol, respectively. Collectively, 4k, 4m and 7x showed favorable interactions with the most druggable binding sites of their respective proteins. Finally, in silico pre-clinical testing by SwissADME validated the non-toxic nature of compounds 4k, 4m and 7x providing a promising treatment option for chemoresistant NSCLC.
Quantum Speed-ups for Boolean Satisfiability and Derivative-Free Optimization

In this thesis, we have considered two important problems, Boolean satisfiability (SAT) and derivative free optimization in the context of large scale quantum computers. In the first part, we survey well known classical techniques for solving satisfiability. We compute the approximate time it would take to solve SAT instances using quantum techniques and compare it with state-of-theart classical heuristics employed annually in SAT competitions. In the second part of the thesis, we consider a few classically well known algorithms for derivative free optimization which are ubiquitously employed in engineering problems. We propose a quantum speedup to this classical algorithm by using techniques of the quantum minimum finding algorithm. In the third part of the thesis, we consider practical applications in the fields of bio-informatics, petroleum refineries and civil engineering which involve solving either satisfiability or derivative free optimization. We investigate if using known quantum techniques to speedup these algorithms directly translate to the benefit of industries which invest in technology to solve these problems. In the last section, we propose a few open problems which we feel are immediate hurdles, either from an algorithmic or architecture perspective to getting a convincing speedup for the practical problems considered.
Validation of a Liquid–Liquid Extraction Method to Study the Temporal Production of D-Series Resolvins by Head Kidney Cells from Atlantic Salmon (Salmon salar) Exposed to Docosahexaenoic Acid

A simple and rapid method for the extraction of D-series resolvins (RvD1, RvD2, RvD3, RvD4, RvD5) released into Leibovitz’s L-15 complete medium by head kidney cells from Atlantic salmon and the further determination of liquid chromatography triple quadrupole mass spectrometry is proposed. A three-level factorial design was proposed to select the optimal concentrations of internal standards that were used in the evaluation of the performance parameters, such as linear range (0.1–50 ng mL−1), limits of detection and quantification (0.05 and 0.1 ng mL−1, respectively), and recovery values ranging from 96.9 to 99.8%. The optimized method was used to determine the stimulated production of resolvins by head kidney cells exposed to docosahexaenoic acid, and the results indicated that it is possible that the production was controlled by circadian responses.
Image-driven parameter estimation for low grade gliomas

We present a numerical scheme for solving a parameter estimation problem for a model of low-grade glioma growth. Our goal is to estimate tumor infiltration into the brain parenchyma for a reaction-diffusion tumor growth model. We use a constrained optimization formulation that results in a system of nonlinear partial differential equations (PDEs). In our formulation, we estimate the parameters using the data from segmented images at two different time instances, along with white matter fiber directions derived from diffusion tensor imaging (DTI). The parameters we seek to estimate are the spatial tumor concentration and the extent of anisotropic tumor diffusion. The optimization problem is solved with a Gauss-Newton reduced space algorithm. We present the formulation, outline the numerical algorithms and conclude with numerical experiments on synthetic datasets. Our results show the feasibility of the proposed methodology.
Entrainment and mixing in a laboratory model of oceanic overflow

Abstract We present experimental measurements of a wall-bounded gravity current, motivated by characterizing natural gravity currents such as oceanic overflows. We use particle image velocimetry and planar laser-induced fluorescence to simultaneously measure the velocity and density fields as they evolve downstream of the initial injection from a turbulent channel flow onto a plane inclined at $10^\circ $ with respect to horizontal. The turbulence level of the input flow is controlled by injecting velocity fluctuations upstream of the output nozzle. The initial Reynolds number based on the Taylor microscale of the flow, $R_{\lambda }$ , is varied between 40 and 120, and the effects of the initial turbulence level are assessed. The bulk Richardson number $\mathit{Ri}$ for the flow is ${\sim }$ 0.3 whereas the gradient Richardson number $\mathit{Ri}_g$ varies between 0.04 and 0.25, indicating that shear dominates the stabilizing effect of stratification. Kelvin–Helmholtz instability results in vigorous vertical transport of mass and momentum. We present baseline characterization of standard turbulence quantities and calculate, in several different ways, the fluid entrainment coefficient $E$ , a quantity of considerable interest in mixing parameterization for ocean circulation models. We also determine the properties of mixing as represented by the flux Richardson number $\mathit{Ri}_f$ as a function of $\mathit{Ri}_g$ and diapycnal mixing parameter $K_{\rho }$ versus the buoyancy Reynolds number $\mathit{Re}_b$ . We find reasonable agreement with results from natural flows.
Dynamical Aspects of Exoplanetary Systems

The detection of more than 130 multiple planet systems makes it necessary to interpret a broader range of properties than are shown by our Solar system. This thesis covers aspects linked to the proliferation in recent years of multiple extrasolar planet systems. A narrow observational window, only partially covering the longest orbital period, can lead to solutions representing unrealistic scenarios. The best-fit solution for the three-planet extrasolar system of HD 181433 describes a highly unstable configuration. Taking into account the dynamical stability as an additional observable while interpreting the RV data, I have analysed the phase space in the neighbourhood of the statistical best-fit. The two giant companions are found to be locked in the 5:2 MMR in the stable best-fit model. I have analysed the dynamics of the system HD 181433 by assessing different scenarios that may explain the origin of these eccentric orbits, with particular focus on the innermost body. A scenario is considered in which the system previously contained an additional giant planet that was ejected during a period of dynamical instability among the planets. Also considered is a scenario in which the spin-down of the central star causes the system to pass through secular resonance. In its simplest form this latter scenario fails to produce the system observed. If additional short-period low mass planets are present in the system, I find that mutual scattering can release planet b from the secular resonance, leading to a system with orbital parameters similar to those observed today. Finally, I have studied the evolution of low mass planets interacting with a gas-giant planet embedded in a gaseous disc. The transit timing method allows the detection of non-transiting planets through their gravitational perturbations. I have investigated the detectability of low mass planets neighbouring short-period giants after protoplanetary disc dispersal.
Association between Area under the Curve Estimated from Carboplatin Dose and Incidence of Severe Thrombocytopenia in Patients with Non-Hodgkin’s Lymphoma on DeVIC Therapy

Background: The degrees of adverse effects with carboplatin (CBDCA) are influenced by interindividual differences in the area under the curve (AUC), whereas renal function is not considered in the CBDCA dose design for dexamethasone, etoposide, ifosfamide, and CBDCA (DeVIC) therapy. We conducted this study to evaluate the association between the AUC and incidence of severe thrombocytopenia in patients treated with DeVIC with or without rituximab (DeVIC ± R). Methods: We retrospectively analyzed clinical data for 36 patients with non-Hodgkin’s lymphoma who received DeVIC ± R between May 2013 and January 2021 at the National Hospital Organization Hokkaido Cancer Center. The AUC of CBDCA (AUCactual) was calculated backward using a variant of the Calvert formula. Results: The median AUCactual was 4.6 (interquartile range: 4.3–5.3) min mg/mL and AUCactual was negatively correlated with the nadir platelet count (r = -0.45; P < 0.01). Multivariate analysis showed that AUCactual ≥ 4.3 versus < 4.3 was an independent factor predictive of severe thrombocytopenia (odds ratio: 19.3, and 95% confidence interval: 1.45–258; P = 0.02). Conclusion: This study suggests that the CBDCA dosing design considering renal function can reduce the risk of severe thrombocytopenia in DeVIC ± R therapy.
Application of Functionally Graded Shell Lattice as Infill in Additive Manufacturing

The significance of lightweight designs has become increasingly paramount due to the growing demand for sustainability. Consequently, this study aims to demonstrate the potential of utilising a functionally graded lattice as an infill structure in designing an additively manufactured bicycle crank arm to achieve construction lightness. The authors seek to determine whether functionally graded lattice structures can be effectively implemented and explore their potential real-world applications. Two aspects determine their realisations: the lack of adequate design and analysis methods and the limitations of existing additive manufacturing technology. To this end, the authors employed a relatively simple crank arm and design exploration methods for structural analysis. This approach facilitated the efficient identification of the optimal solution. A prototype was subsequently developed using fused filament fabrication for metals, enabling the production of a crank arm with the optimised infill. As a result, the authors developed a lightweight and manufacturable crank arm showing a new design and analysis method implementable in similar additively manufactured elements. The percentage increase of a stiffness-to-mass ratio of 109.6% was achieved compared to the initial design. The findings suggest that the functionally graded infill based on the lattice shell improves structural lightness and can be manufactured.
Theoretical Strategy for Interface Design and Thermal Performance Prediction in Diamond/Aluminum Composite Based on Scattering-Mediated Acoustic Mismatch Model

Inserting modification layers at the diamond/Al interface is an effective technique in improving the interfacial thermal conductance (ITC) of the composite. However, few study reports the effect of interfacial structure on the thermal conductivity (TC) of diamond/Al composites at room temperature. Herein, the scattering-mediated acoustic mismatch model, suitable for evaluating the ITC at room temperature, is utilized to predict the TC performance of the diamond/Al composite. According to the practical microstructure of the composites, the reaction products at diamond/Al interface on the TC performance are concerned. Results indicate that the TC of the diamond/Al composite is dominantly affected by the thickness, the Debye temperature and the TC of the interfacial phase, meeting with multiple documented results. This work provides a method to assess the interfacial structure on the TC performance of metal matrix composite at room temperature.
On the Symmetry, Electronic Properties, and Possible Metallic States in NASICON-Structured A4V2(PO4)3 (A = Li, Na, K) Phosphates

In this work, the electronic structure and properties of NASICON-structured A4V2(PO4)3, where A = Li, Na, K were studied using hybrid density functional theory calculations. The symmetries were analyzed using a group theoretical approach, and the band structures were examined by the atom and orbital projected density of states analyses. Li4V2(PO4)3 and Na4V2(PO4)3 adopted monoclinic structures with the C2 space group and averaged vanadium oxidation states of V+2.5 in the ground state, whereas K4V2(PO4)3 adopted a monoclinic structure with the C2 space group and mixed vanadium oxidation states V+2/V+3 in the ground state. The mixed oxidation state is the least stable state in Na4V2(PO4)3 and Li4V2(PO4)3. Symmetry increases in Li4V2(PO4)3 and Na4V2(PO4)3 led to the appearance of a metallic state that was independent of the vanadium oxidation states (except for the averaged oxidation state R32 Na4V2(PO4)3). On the other hand, K4V2(PO4)3 retained a small band gap in all studied configurations. These results might provide valuable guidance for crystallography and electronic structure investigations for this important class of materials.
The prevalence and risk factors for cognitive impairment in obesity and NAFLD

Background: Severe obesity may be accompanied by cognitive dysfunction and NAFLD, but the associations remain unclear. We describe the prevalence and features of cognitive dysfunction and examine the associations between cognitive dysfunction and the presence and severity of NAFLD, and the associations between cognitive dysfunction and signs of other obesity-related comorbidities and neuronal damage. Methods: A cross-sectional study of patients with a body mass index of 35 kg/m2 underwent evaluation for bariatric surgery. They were screened for adiposity-related comorbidity and underwent a liver biopsy and basic cognitive testing with the Continuous Reaction Time test, the Portosystemic Encephalopathy Syndrome test, and the Stroop Test. A representative subgroup also underwent the Repeatable Battery for the Assessment of Neuropsychological Status (RBANS). The primary study outcome was “cognitive impairment,” defined as ≥2 abnormal basic cognitive tests and/or an abnormal RBANS. The Triggering Receptor Expressed on Myeloid Cells 2 (TREM2) served as a biomarker for neuronal damage. Results: We included 180 patients; 72% were women, age 46 ± 12 years, 78% had NAFLD, and 30% with NASH without cirrhosis. 8% were cognitively impaired by the basic tests and 41% by RBANS results. Most impaired were executive and short-time memory functions. There were no associations between cognitive impairment and BMI, NAFLD presence or severity, or metabolic comorbidities. Male sex (OR: 3.67, 95% CI, 1.32–10.27) and using 2 or more psychoactive medications (5.24, 95% CI, 1.34–20.4) were associated with impairment. TREM2 was not associated with cognitive impairment. Conclusions: Nearly half of this severely obese study cohort exhibited measurable multidomain cognitive impairment. This was not dependent on NAFLD or another adiposity comorbidity.