Miracle-dz/UniFAR-FTUs huggingface dataset:
NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow’s Drug Binding Sites in Human Serum Albumin

Saturation transfer difference (STD), inter-ligand NOEs (INPHARMA NMR), and docking calculations are reported for investigating specific binding sites of the high-affinity synthetic 7-nitrobenz-2-oxa-1,3-diazoyl-4-C12 fatty acid (NBD-C12 FA) with non-labeled human serum albumin (HSA) and in competition with the drugs warfarin and ibuprofen. A limited number of negative interligand NOEs between NBD-C12 FA and warfarin were interpreted in terms of a short-range allosteric competitive binding in the wide Sudlow’s binding site II (FA7) of NBD-C12 FA with Ser-202, Lys-199, and Trp-214 and warfarin with Arg-218 and Arg-222. In contrast, the significant number of interligand NOEs between NBD-C12 FA and ibuprofen were interpreted in terms of a competitive binding mode in Sudlow’s binding site I (FA3 and FA4) with Ser-342, Arg-348, Arg-485, Arg-410, and Tyr-411. NBD-C12 FA has the unique structural properties, compared to short-, medium-, and long-chain saturated and unsaturated natural free fatty acids, of interacting with well-defined structures with amino acids of both the internal and external polar anchor sites in Sudlow’s binding site I and with amino acids in both FA3 and FA4 in Sudlow’s binding site II. The NBD-C12 FA, therefore, interacts with novel structural characteristics in the drug binding sites I and II and can be regarded as a prototype molecule for drug development.
Identification of Low Growing, Salt Tolerant Turfgrass Species Suitable for Use along Highway Right of Way

Roadsides are managed as mowed turfgrass to prevent erosion, maintain visibility, provide a safety zone for stopped vehicles, and improve aesthetics. Roadside vegetation often needs to be mowed several times each growing season, and in addition to its cost mowing exposes workers to traffic and other hazards, discharges tailpipe gases, and disturbs soil. This study explored the efficacy of using commercially-available grass species that may reduce maintenance costs, yet still provide economic and ecological services such as fast establishment, erosion control, ecosystem benefits, and resilience. A literature review of over 500 journal articles, white papers, reports, and fact sheets and discussions with turfgrass experts produced a list of over 100 graminoid species. A trait-based approach was then used to select a subset of species for evaluation. The final selection included 21 species and cultivars. Each species was given an overall grade (A=Excellent, B=Good, C=Fair, D=Poor, and F=Very poor) reflecting six economic and ecological services. Maryland's standard roadside seed tall fescue received a grade below the median grade. Fine fescues ranked higher than tall fescue owing to lower stature and generally higher resilience. The native grass species Sporobolus, side-oats grama, and purple lovegrass received excellent grades (A or A-) and should be further studied as alternatives to tall fescue. Species that are not recommended for roadsides include Kentucky bluegrass, perennial ryegrass, prairie junegrass, alkaligrass, and zoysia.
Dose-response relationship between toothpaste soluble fluoride absorbed in the gastrointestinal tract and saliva fluoride secretion

Aim: This study aimed to evaluate if there is a dose-response relationship between toothpaste chemically soluble fluoride absorbed in the gastrointestinal tract and fluoride secreted by saliva, giving support to the use of saliva as surrogate for plasma fluoride. Methods: A 4-phase single blind study was conducted, in which 10 participants were subjected in each phase to one of the assigned treatment groups: group I: fresh sample of a Na2FPO3/CaCO3-based toothpaste with 1,334 μg F/g of total soluble fluoride (TSF) and groups II–IV: aged samples of this toothpaste presenting TSF concentrations of 1,128, 808, and 687 μg F/g, respectively. In all phases, the participants ingested an amount of toothpaste equivalent to 70.0 μg F/Kg body weight, as total fluoride (TF). Saliva and blood samples were collected before (baseline) and up to 180 min after toothpaste ingestion as indicator of fluoride bioavailability. F concentration in saliva and blood plasma was determined with a fluoride ion-specific electrode. The areas under the curve (AUC) of F concentration versus time (AUC = ng F/mL × min) and the peaks of fluoride concentration (Cmax) in saliva and plasma were calculated. Results: A significant correlation between mg of TSF ingested and the AUC (r=0.47; p<0.01), and Cmax (r=0.59; p<0.01) in saliva was found; for TF, the correlation was not significant (p>0.05). In addition, the correlations between plasma and saliva fluoride concentrations were statistically significant for AUC (r=0.55; p<0.01) as for Cmax (r=0.68; p<0.01). Conclusion: The findings support that saliva can be used as a systemic biomarker of bioavailable fluoride present in Na2FPO3/ CaCO3-based toothpaste.
Extracting Fallen Objects on the Road From Accident Reports Using a Natural Language Processing Model-Based Approach

Keyword extraction is an effective way to quickly identify key elements in text. It can accelerate the identification of key factors that play a role in accidents when applied to incident report analysis. Our research presents an innovative process for extracting keywords from incident reports with the pre-trained natural language processing models. We utilized fine-tuning techniques to integrate a BiLSTM-CRF with a fully-connected layer and pre-trained natural language models. The process of extracting keyphrases is approached as a task of labeling sequences. To analyze incident reports from Korea, we employ pre-trained models customized for the Korean context, such as KoBERT and KoELECTRA. Our approach is assessed using a range of metrics, including accuracy, area under the curve (AUC), F1-score, slot error rate (SER), and simple matching coefficient (SMC). In contrast to traditional approaches which mainly concentrate on document summarization, our research provides a distinct method tailored to identifying falling objects as the main cause of accidents. Our findings demonstrate that the ELECTRA-based model with a BiLSTM-CRF outperforms other models, achieving an accuracy of 0.943, an AUC of 0.991, and a low SER of 0.075. The F1-score and SMC closely resemble the BERT-based model with a BiLSTM-CRF, with no significant differences observed within the 95% confidence interval. These results underscore the potential of fine-tuning pre-trained models for post-hoc traffic accident analysis. This method offers a swift preliminary step to identify the key factors before human analysis, presenting a multifaceted strategy to enhance road safety and prevent accidents.
Effect of Particle Size on Calibration of Schmidt Number

ABSTRACT Son, M. , Byun, J., Kim, S. , and Chung, E. -S. , 2016. Effect of particale size on calibration of Schmidt number. In: Vila-Concejo, A. ; Bruce, E. ; Kennedy, D.M. , and McCarroll, R.J. (eds.), Proceedings of the 14th International Coastal Symposium (Sydney, Australia). Journal of Coastal Research, Special Issue, No. 75, pp. 148–152. Coconut Creek (Florida), ISSN 0749-0208. The effect of particle size on calibrating the Schmidt number (σc) is numerically investigated in this study. The experiments are carried out under different conditions of flow type and particle size. From calculation results, it is known that σc is calibrated to be 0.25 to 2.0 as the particle size changes from 320 μm to 130 μm. The value of σc shows the inverse-relationship with particle size. σc determines the particle diffusivity. When σc is smaller than 1.0, the particle diffusivity becomes larger than the momentum diffusivity. A large particle having large inertia can diffuse relatively more compared to small particle under the condition that the turbulent intensity decreases. Therefore, σc is calibrated to be small as the particle size increases. This idea is examined by calculating the Stokes number and sediment diffusivity. As the particle size increases, both of Stokes number and sediment diffusivity also increase.
Leader's influence on the climate in the team

This article analyses the influence of the leader on the team climate in different fields of activity. The article aims to determine the degree of influence of the leader's personality on forming the socio-psychological climate in teams from various fields of activity. The study was conducted with specialists from the IT sphere, pedagogical sphere, medicine, and law enforcement. Valid and reliable test methods were used to obtain reliable data. The prevalence of average indicators of leadership influence in the studied samples has been empirically proven. The tendencies of distribution of the components of the leader's personality depending on the sphere of professional activity were determined. Тhe study results suggest that leadership skills and organisational skills are the most important factors influencing team climate in teams of medical professionals and law enforcement, while communication skills and emotional intelligence are more important in teams of teachers and IT specialists. The research hypothesis has been confirmed. Prospects for further scientific research include studying the impact of different leadership styles on the organisational climate of the team, as well as expanding the research sample by involving representatives of a broader range of specialities.
Positive and negative relationship evaluation processes as predictors of relationship satisfaction

Relationship evaluation processes (REPs) are the thought processes people use to evaluate the quality of their romantic relationships (Buckingham et al., 2019, https://doi.org/10.1177/0265407519833798). The present study expanded on previous REP research by developing measures of positive REPs to parallel existing measures of negative REPs, which measure people’s tendency to focus on negative relationship behavior and fears about the future of the relationship. Data from a diverse sample of 170 US adults provided an initial confirmation of the validity of the positive REP subscales, which measure people’s tendency to focus on positive relationship behavior and hopeful thoughts about the future of the relationship. Multiple regression analysis showed that positive and negative REPs significantly predict relationship satisfaction. Whereas negative REPs were associated with less relationship satisfaction, positive REPs were associated with greater satisfaction. We also examined the roles of depression, neuroticism, and optimism in predicting REPs and satisfaction.
Study on physicochemical and sensory characteristics of peanut yoghurt

This present investigation aimed to study the influence of incubation temperature and skimmed milk ratio on the physicochemical properties, microbiological and sensory characteristics of peanut yoghurt. The methods of the Association of Official Analytical Chemistry International (AOAC) and the Indonesian National Standard (SNI) were used to analyse the physicochemical properties of peanut yoghurt. Analysis of one variance (ANOVA) was performed to evaluate the difference between the data via SPSS Version 17 and Microsoft Excel 2016. Yoghurt was made by using different incubation temperatures (37 and 45°C), incubation times (18 and 24 hrs) and skimmed milk ratios (3 and 5%). The results showed no significant differences (P>0.05) between the physicochemical of peanut yoghurt samples in colour, culture cells and total solids, whilst there were significant differences (P≤0.05) between each peanut yoghurt sample in pH (3.89, 41.17, 33.76, 4.29, 3.88, 3.86, 3.62, and 4.20) and viscosity (5.40, 5.40, 5.50, 5.10, 4.80, 4.10, 4.90, and 4.50). General results from this present study established that producing yoghurt from peanut milk by incubation temperature at 37ᵒC for 18 hrs and skimmed milk ratio of 3%, increased the physicochemical and sensory properties of peanut yoghurt based on reducing the aroma of peanut.
The Numbers Behind Mushroom Biodiversity

Fungi are difficult to preserve and fossilize and due to the poor preservation of most fungal structures, it has been difficult to interpret the fossil record of fungi. Hyphae, the vegetative bodies of fungi, bear few distinctive morphological characteristicss, and organisms as diverse as cyanobacteria, eukaryotic algal groups, and oomycetes can easily be mistaken for them (Taylor & Taylor 1993). Fossils provide minimum ages for divergences and genetic lineages can be much older than even the oldest fossil representative found. According to Berbee and Taylor (2010), molecular clocks (conversion of molecular changes into geological time) calibrated by fossils are the only available tools to estimate timing of evolutionary events in fossil‐poor groups, such as fungi. The arbuscular mycorrhizal symbiotic fungi from the division Glomeromycota, generally accepted as the phylogenetic sister clade to the Ascomycota and Basidiomycota, have left the most ancient fossils in the Rhynie Chert of Aberdeenshire in the north of Scotland (400 million years old). The Glomeromycota and several other fungi have been found associated with the preserved tissues of early vascular plants (Taylor et al. 2004a). Fossil spores from these shallow marine sediments from the Ordovician that closely resemble Glomeromycota spores and finely branched hyphae arbuscules within plant cells were clearly preserved in cells of stems of a 400 Ma primitive land plant, Aglaophyton, from Rhynie chert 455–460 Ma in age (Redecker et al. 2000; Remy et al. 1994) and from roots from the Triassic (250–199 Ma) (Berbee & Taylor 2010; Stubblefield et al. 1987). Many other fungal preserved materials have been found and a very well‐preserved Ascomycota fungal fossil (Paleopyrenomycites devonicus), consisting of perithecia immersed within stems of a Devonian plant (Asteroxylon mackiei Kidston and Lang), provides a minimum age for the Ascomycota and Basidiomycota at 452 Ma (Berbee & Taylor 2010; Taylor & Gaines 1999, 2004b, 2005). Basidiomycota is the sister group to the Ascomycota and the two phyla must be the same age. Basidiomycota are diagnosed by the hyphae with clamp connections and in modern ecosystems clamped hyphae permeate soil and organic matter. The oldest convincing basidiomycete fossils are of hyphal The Numbers Behind Mushroom Biodiversity
Prevalence of Patellofemoral Pain Syndrome and Its association with Knee Stiffness in Sanitary Workers

Patellofemoral pain syndrome is an overuse injury that causes pain in the front of knee and it’s more common in females. Heavy workload and consistent stress on knee especially in labour work is also affecting male population with this syndrome. It can affect quality of life by limiting functions and it has long term effects. Objective: To determine the prevalence of patellofemoral pain syndrome in sanitary workers who are facing knee stiffness or knee pain. Methods: A sample of 128 participants of age 30-50 years of sanitary workers was included for the survey, according to inclusion criteria. For the selection of participants, convenience sampling was used. Pendulum test, Patellar grind test, and Knee Injury and osteoarthritis outcome score survey for symptoms and pain were used to collect data. An informed consent was signed by the participants stating that personal information of participants is confidential. Results: SPSS version 22 was used to define the descriptive and associated analysis of data. Results showed that there is association between Knee injury and osteoarthritis outcome score symptoms and patellar grind test (p>.0001) while there is no association between knee outcome score pain sign and pendulum test (p=.482). 259 participants reported 71% overall prevalence of patellofemoral pain. Conclusions: It is concluded that male sanitary workers had high prevalence levels of Patellofemoral pain. Preventative measures such as ergonomics training, physical activity should be taken into consideration to enhance quality of life.
Thiamine-responsive disease due to mutation of tpk1: Importance of avoiding misdiagnosis

A first child of unrelated healthy parents was the product of an uneventful pregnancy and delivery. Initial psychomotor development proceeded regularly. At 21 months of age, during an episode of otitis media, she started presenting recurrent vomiting, global hyporeactivity, ataxia, dysmetria, pyramidal signs, and loss of postural control. Cerebral MRI showed bilateral signal abnormalities of putamina (figure).
Sildenafil does not reliably improve exercise performance in hypoxia: a systematic review

Objective Sildenafil is a pulmonary vasodilator that may reduce the decrement in endurance performance in moderate hypoxia. We assessed the efficacy of sildenafil to improve performance in hypoxia. Data sources/eligibility Criteria We systematically searched electronic databases (until August 2018) for randomised trials comparing sildenafil with placebo. We also examined the effect of sildenafil on pulmonary artery pressure (PAP), cardiac output (CO) and pulse oxygen saturation (SPO2) compared with placebo in hypoxia. Fourteen studies were included; 210 subjects received sildenafil 40, 50 or 100 mg/day. Results Sildenafil showed a large effect for decreasing PAP during exercise and at rest, a small effect for increasing CO during exercise and a moderate effect at rest, a moderate effect for increasing SPO2 and a small effect for improving performance. In a subgroup analysis, there was no statistically significant difference between 100 and 50 mg sildenafil dose on SPO2. Sildenafil had a moderate effect on increasing SPO2 and performance at terrestrial hypobaric altitude but only a small effect on both in normobaric hypoxia. Regression analysis showed that hypoxic dose (PO2) and metabolic rate do not account for a significant portion of the variance in effect size for sildenafil on PAP, CO, SPO2 and performance. Conclusion This meta-analysis indicates that sildenafil reduces PAP, has a moderate to small effect on CO and SPO2, and no effect on performance.
UvA-DARE (Digital Academic Repository) What works for whom: A realist synthesis of neighbourhood interventions for families in the community

Neighbourhood interventions are important for creating supportive structures for parents and children and for other community members. Little is known, however, about what works for whom in what situation. The aim of this study was to gain a better understanding of what works for whom in community interventions in the neighbourhood. Realist synthesis was used as a review methodology to examine community interventions. Six databases were searched for studies published between January 1st, 2000 and May 8th, 2020 and 28 community programs reported in 34 publications were included. Multiple rounds of coding and several discussions with experts and the project team were conducted to analyze these studies and programs, and to understand underlying assumptions of neighbourhood interventions. This resulted in the definition of ten important mechanisms of change in specific contexts. These were found on two levels: on an interpersonal level (e.g. social support) and on a community level (e.g. social norms). Positive mechanisms of change varied from supportive professionals to participants in the intervention, to co-production in developing the intervention. Negative mechanisms were only found on the community level and were related to professionals ’ and community members ’ skills. Mechanisms of change were found to be related to specific contexts, such as implementation strategies and the type of intervention. Professionals and municipalities can use these mechanisms of change to improve their interventions and neighbourhood practices.
Biotechnology Carbon Capture and Storage by Microalgae to Enhance CO2 Removal Efficiency in Closed-System Photobioreactor

The global warming issue caused mainly by carbon dioxide (CO 2 ) has triggered various efforts to reduce excess amount of CO 2 emitted into the atmosphere. A viable option is to utilize biomass production potential of microalgal consortium in aquatic ecosystem that constantly requires CO 2 to perform photosynthesis. This study aims to provide scientific contributions to the development of environmental studies, particularly of using microalgal consortiums as carbon capture and storage (CCS) agent by engineering their culture conditions. A number of studies analyzing biological reduction of atmospheric CO 2 by using CO 2 absorption capability of terrestrial plants have been facing many difficulties. Compared to various terrestrial plants, microalgae are generally consid‐ ered photosynthetically more efficient. Exploitation of microalgal capability has numerous advantages, including their faster regeneration time, ability to grow in less space than terrestrial plants, and because the cultivation of microalgae can be done on a small-scale or large-scale operation, under controlled conditions, and is independent to climatic changes. Taking into account long-term advantages, this study is a preliminary study which is expected to be able to provide information and feedback regarding integrated microalgal culture system that may lead to alternative solutions of eco-friendly and sustainable environmental management technology that are capable of mitigating environmental problems caused by CO 2 (as greenhouse gas) emissions. Hence, the results of this research could be implemented by building urban microalgal ponds in efforts to develop sustainable cities in terms of CO 2 emission reduction in urban areas. not break down glucose completely to carbon dioxide and water, and the anaerobic pathways produce no more ATP beyond the yield from glycolysis. The final steps
Effects of Cutout Location on Postbuckling Responses And Failure Characteristics of Composite Laminate

The objective of the present investigation is to study effects of locations of various shaped (i.e., circular, square and diamond) cutouts on stability and failure characteristics of simply-supported, axially-compressed quasi-isotropic laminate, (+45/-45/0/90)2s using finite element method. The FEM formulation is based on first order shear deformation theory wherein von Karman’s assumptions are used to incorporate geometric nonlinearity. The 3-D Tsai-Hill criterion is used to predict the failure of a lamina, while the onset of delamination is predicted by the interlaminar failure criterion. It is observed that the location of cutout has a significant effect on buckling and postbuckling strength of the laminate. It is also noted that the laminate with cutout centered at a distance greater than or equal to 0.75b (where, b is the width of the square laminate) from the loaded edge has negligible effect on buckling strength of the laminate.
Repository ISTITUZIONALE

—The vast array of cloud providers present in today’s market proffer a suite of High-Performance Computing (HPC) services. However, these offerings are characterized by significant variations in execution times and cost structures. Consequently, selecting the optimal cloud provider and configuring the features of the chosen computing instance (e.g. virtual machines) proves to be a challenging task for users intending to execute HPC workloads. This paper introduces a novel component designed for effortless integration with existing HPC scheduling systems. This module’s primary function is to facilitate the selection of the most appropriate cloud provider for each distinct job, thereby empowering dynamic and adaptive cost-minimization strategies. Through the application of data augmentation techniques and the employment of Continuous Machine Learning, the system is endowed with the capability to operate efficiently with cloud providers that have not been previously utilized. Furthermore, it is capable of tracking the evolution of jobs over time. Our results show that this component can achieve consistent economic savings, based on the quality of the data used in the training phase.