Miracle-dz/UniFAR-FTUs huggingface dataset:
Interplay of p -stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds: periodic DFT study †

This paper bridges the gap between high-level ab initio computations of gas-phase models of 1 : 1 arene – arene complexes and calculations of the two-component (binary) organic crystals using atom – atom potentials. The studied crystals consist of electron-rich and electron-de ﬁ cient compounds, which form in ﬁ nite stacks (columns) of heterodimers. The sublimation enthalpy of crystals has been evaluated by DFT periodic calculations, while intermolecular interactions have been characterized by Bader analysis of the periodic electronic density. The consideration of aromatic compounds without a dipole moment makes it possible to reveal the contribution of quadrupole – quadrupole interactions to the p -stacking energy. These interactions are signi ﬁ cant for heterodimers formed by arenes with more than 2 rings, with absolute values of the traceless quadrupole moment ( Q zz ) larger than 10 D ˚ A. The further aggregation of neighboring stacks is due to the C – H / F interactions in arene/per ﬂ uoroarene crystals. In crystals consisting of arene and an electron-de ﬁ cient compound such as pyromellitic dianhydride, aggregation occurs due to the C – H / O interactions. The C – H / F and C – H / O inter-stacking interactions make the main contribution to the sublimation enthalpy, which exceeds 150 kJ mol (cid:1) 1 for the two-component crystals formed by arenes with more than 2 rings.
The Study Model of Workload, Sleep Quality with Work Fatigue on Workers in Oil and Gas and Palm Plantations Industry

Fatigue is one of the risk factors that contributes greatly to the occurrence of work accidents that can cause death. Workers who experience fatigue will give a negative contribution to the safety performance of workers, a decrease in the level of worker productivity, low quality of work, and an increase in the risk of work accidents. This study aims to examine the risk factors, either directly or indirectly, causing fatigue in workers in the oil and gas and oil palm industries using the Structural Equation Modelling (SEM) approach. This research is a quantitative study with a cross sectional design. This research was conducted from March-November 2021 with a total sample of 222 people who are workers in the oil and gas industry and oil palm plantations in Jambi Province. This study uses an international standardized questionnaire from the Industrial Fatigue Research Committee (IFRC), NASA TLX AND PSQI. The results of this research are that the value of cr (Critical correlation) is -0.334 which has met the requirements for data normality. Furthermore, the model suitability test was carried out through a study with the goodness of ﬁt criteria, with indicators X2 Chi Square, CMIN/DF, RMSEA and CFI. The test results show that the model used is acceptable. From this study, it can be concluded that there is a signiﬁcant effect of sleep quality on work fatigue.
EMPLOYEE WORK POWERLESSNESS AND DEVIANT BEHAVIOUR IN FOUR-STAR HOTELS IN THE SOUTH-SOUTH REGION OF NIGERIA

: The pervasiveness of non-standard conduct such as scam, stealing, suppression effort, hostile behaviour, and voluptuous aggravation exhibited by workers in the organization has become a challenge, thus, the aim of this study is to examine the relationship between employee work powerlessness and deviant bevaiour (production deviance, property deviance, political deviance and personal aggression as its measures) of four star hotels in the south-south region of Nigeria. A cross sectional survey research design was adopted to examine the relationship between the study variables while the unit of analysis was at the micro level that is employees of the studied hotels. Furthermore, from the study population of 982 employees in the four star hotels in the region, 274 sample size was gotten using the Krejcie and Morgan (1970) sample size determination formula while questionnaire was used as the research instrument to collect data and out of the 274 questionnaire distributed, 223 were useful for data analysis. The data collected was analyzed using spearman’s rank order correlation coefficient with the aid of Statistical Package for Social Sciences. Our findings revealed that powerlessness significantly affects deviant behaviour of the studied hotels. We therefore recommended that managers of the four-star hotels in the south-south region in Nigeria should create real teamwork conditions that will provide the employee with a sense of participation and involvement which will reduce powerlessness in the hotels.
What Is Shown by Bibliometric Analysis? A Review on Creativity Development in Science Class

The aim of this study is to provide an extensive bibliometric literature review on ' creative thinking skills ’ and ' creativity ' in science classrooms. Articles were found by Publishing or Perish software (PoP) with Google Scholar (GS) database. There were 994 articles found from the GS database from 2010 to 2021, 498 articles were analyzed in this study. The selected references are then managed using reference manager software, namely Zotero . After managing the database, this research classifies and visualizes it using VosViewer software. Generally, the review provides an appropriate reference point for further research on the development of creativity and creative thinking skills in science classrooms. The keywords contained in network visualization and overlay visualization refer to the RADEC model as a contemporary teaching strategy that is expected to be able to build students' creativity and creative thinking skills in science class. Further research is needed to ensure that the RADEC model is a strategy capable of building students' creativity and creative thinking skills across academic and scientific levels.
The Neuroprotective Effect of Lycopodium and Withania Somnifera on Alzheimer’s Disease Induced by Aluminum Chloride in Rats

Alzheimer's Disease (AD) is a serious health problem worldwide and known as the most common type of neurodegenerative diseases. Lycopodium (Lyc) and Withania Somnifera (WS) contains a bio active compound that proved to restore and improve cholinergic system. The present study aimed to examine the neuroprotective potential of Lyc and WS on Aluminum Chloride induced AD in rats. Fifty female Albino rats were equally and randomly divided to five groups, ten rats in each group. The rats of the first group received distilled water and served as control. The rats from second to fifth group received AlCl 3 (175mg/kg), the second groups consider as AD group, in addition to AlCl3, third group received Lyc (50mg/kg), fourth received WS (200mg/kg), fifth received both treatments. After 30 days, the Acetylcholine (Ach), Acetylcholinesterase (AchE), Buty-rylcholinesterase (BchE), Amyloid beta-42 (A  -42), Tyrosine hydroxylase (TH), and Na+/K+ATPase were evaluated. The result showed that AlCl3 significantly increased Ach, AchE, BchE, A  -42 levels, and significantly decreased TH and Na+/K+ ATPase levels in rats model of AD. Administration of Lyc and WS to rats model of AD for 30 days showed an improvement in biochemical alteration caused by AlCl 3 . This study suggests that oral administration of Lyc and WS have a neuroprotective effect in AD animal model.
Accommodation with adult obsessive compulsive disorder: patients and family perspectives

: Obsessive compulsive disorders experience caused distress for patients themselves and family members due to the burden of the disease which includes the feelings of frustration, anger and guilt, addition to impairment in social activities. Aim: so the aim was to determine the level of Accommodation for both patients and family with adult obsessive compulsive disorders Design: The study followed a descriptive design. Setting: this study was conducted in the psychiatric out patient's clinics of the Psychiatry, Neurology and Neurosurgery Center affiliated to Tanta University in addition to the out patient's clinic of Tanta mental health hospital, affiliated to the ministry of health at Tanta city. Subjects: a purposive sample of 50 patients with OCD and their families fulfilling the inclusion criteria of the study. Tools: Tools used were, (I) Family Accommodation Scale for Obsessive-Compulsive Disorder, Self-Rated Version (FAS-SR) and tool (II) Family Accommodation Scale for Obsessive-Compulsive Disorder Patient Version (FAS-PV). Results: The results reveled 40% of the studied subjects aged from 30-40years with Mean ± SD 32.42  9.114 year, 60% of the studied patients were the majority of the patients 96% co habituated with their family. Most of the studied families (70%) had a high level of accommodation regarding their patients Obsessive-Compulsive symptoms and there was a high positive significant relationship between levels of family accommodation as reported by patients and their families. Conclusion: Based on the results it can be concluded that, regarding to the level of Family accommodation, the most of studied families had a high level of accommodation regarding their patients' Obsessive-Compulsive Symptoms as reported by the family members themselves. Recommendation: Family support may be needed to help relatives in dealing with frustrating patient's behaviors and to encourage more positive communication and reduce anger expression.
How Negative Labor Supply Shocks Affect Training in Firms: Lessons from Opening the Swiss-German Border

By exploiting a labor market reform causing an outﬂow of German workers to Switzerland, we examine the effect of negative labor supply shocks on training in ﬁrms using the market for apprenticeships as an example. Analysis of administrative data reveals that the reform led to more apprentices in German ﬁrms despite a decrease in apprentice wages. This can be explained by a standard two-factor production model where ﬁrms substitute outﬂowing skilled workers with more ap-prentices; setting lower wages is possible because of a rising supply of apprentices owing to substantially improved employment prospects after border openings.
Responses of Okra Crop to Sowing Time, Irrigation Interval and Sowing Methods in Shahrood Region

Crop production management in vegetable production is one of the most important factors to attain high quantitative and qualitative yield. Selecting the best sowing date, irrigation regime and sowing method are important factors for optimum growth condition of crops. In this investigation, in order to study the effects of sowing date, irrigation regime and sowing method on morphological and yield related characters of okra an experiment was conducted in strip split plot arrangement with randomized complete block design from April to September of 2013 in Shahrood region. Experimental factors were including irrigation regime at two levels of 7 days and 10 days in which placed in vertical plots, sowing date at three levels of 15 May, 31 May and 15 June, and sowing method in two levels of top of the furrow and within the furrow. In this experiment, plant height, stem diameter, number of branches per plant, number of leaves per plant, internode length, fruit length, number of fruits per plant and leaf area index were measured. Our results showed that the main effects of all experimental factors were significant in all studied traits. The interaction effect of some traits were also significant in some studied traits. It was observed that increasing the irrigation interval from 7 days to 10 days led to decrease the average of studied traits. The effect of sowing date was also significant in all traits, so that delaying the sowing date from 15 May to 31 May, led to decrease the average of all the studied traits and this trend was continued to 15 June. The results of this study was also showed that sowing the seeds within the furrow was better than top of the furrow. Generally, it can be proposed that sowing date of 15 May and irrigation interval of 7 days accompanied by seed sowing within the furrow was advised is the best management decision in Shahrood region.
The Impact of Risk Taking on Organizational Learning and Resilience as Antecedents to Firm’s Sustainability

: This study investigates the relationship between risk taking and organizational learning and resilience. 152 copies of questionnaire were distributed to various small and medium enterprises located in Nnewi, Anambra state, Nigeria. After data cleaning, only 143 copies were found suitable for this study. Our result shows a significant relationship existing between risk taking and organizational learning as well as between risk taking and organizational resilience. It was therefore, recommended that manufacturing organizations should often emphasize on risk measures as they pursue and exploit market opportunities in a dynamic business environment as well as imbibe the culture of continuous learning for improved organizational functioning. They should also extend the development of adaptive capacities in form of resilience not just at the organizational level alone but also at the individual level of analysis since without the individuals, the organization and other resources cannot perform efficiently and effectively.
Measurement of geospatial thinking abilities and the factors affecting them

Since the publication of the National Research Council’s report entitled “Learning to Think Spatially” in 2006, spatial thinking has been attracting attention in the fields of geographic information science and geography education. Recently, several tests for measuring spatial thinking abilities in geographical contexts have been developed. Nevertheless, the reliability of these tests and the relationship between the test questions and the components of geospatial thinking are not clear. In addition, few attempts have been made to investigate the effect of various factors, including behaviors and interests in daily life, on test scores. This study aims to improve the geospatial thinking ability test and examine the various factors affecting test scores. The test used in this study is a revision of the Spatial Thinking Ability Test developed by Lee and Bednarz (2012). Six question items were selected by considering the independence and representativeness of the components of the geospatial abilities; anonymous materials were used to distinguish between the respondents’ geospatial skills and their prior knowledge. The results obtained from a sample of 90 university students showed a low correlation between the scores for the six question items. The scores for three question items (spatial patterns, spatial correlation, and landscape visualization) were closely related to the students’ interest in geography and maps, as well as their sense of direction. In particular, their experience and expertise in geography at school was evident in the specific components of geospatial thinking abilities.
The Women Of Coyo: Tradition And Innovation In AndeanPrehistory, San Pedro De Atacama, North Chile (A.D. 500-900)

Beginning in the second century and continuing until the Spanish arrived in the sixteenth century, the inhabitants of the large cluster of oases known as San Pedro in the Atacama desert of northern Chile buried their dead in the desert, in areas adjacent to shaded habitation sites and irrigated agricultural fields (Figure 1). The scarce oasis lands have been reused over the millennium and little former architectural evidence survives, however the cemeteries and the people themselves have been preserved. The arid Atacama desert has allowed the uncommon preservation of a vast quantity of prehistoric textiles and other usually perishable materials. Complete funeral bundles dating between the sixth and the tenth centuries have been uncovered in Coyo Oriental, the ancient eastern cemetery of the Coyo oasis. Not all bundles have been preserved equally, but remaining evidence suggests that a bundle included multiple layers of tunics, mantles and headdresses tied with strong camelid fiber ropes often surrounded by tools, weapons, food remains, bags, baskets and ceramics.
The Isotope and Trace Element Budget of the Cambrian Devil River Arc System, New Zealand: Identification of Four Source Components

(all in wt %) to the mantle wedge is required to explain all The Takaka Terrane in the South Island of New Zealand magmatic compositions. Such mixing proportions are consistent contains a well-preserved Cambrian arc system (Devil River with those obtained for recent arc systems. Volcanics) that displays a complete assemblage of interbedded lowto high-K arc rocks, back-arc rocks and boninites. Most volcanic rocks are mafic. A coherent dataset was obtained including major elements, trace elements and Sr–Nd–Pb isotope
Is there a time lag between the metamorphism and emplacement of plutons in the Axial Zone of the Pyrenees?

Abstract Detailed petrographic and geochemical studies conducted on zircons from the Lys-Caillaouas pluton reveal their igneous and metamorphic affinities. The igneous zircons constrain the emplacement of the pluton to 300±2 Ma. By contrast, the metamorphic zircons yield an older age of 307±3 Ma, which probably dates the thermal peak of the HT/LP Variscan metamorphism. Therefore, a short time lag of c. 7 Ma emerges between the metamorphic climax and emplacement of the pluton in the Axial Zone (Pyrenees).
Venous thrombo-embolism associated with long distance air travel

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Increased Inhibition May Contribute to Maintaining Normal Network Function in the Ventral Hippocampus of a Fmr1-Targeted Transgenic Rat Model of Fragile X Syndrome

A common neurobiological mechanism in several neurodevelopmental disorders, including fragile X syndrome (FXS), is alterations in the balance between excitation and inhibition in the brain. It is thought that in the hippocampus, as in other brain regions, FXS is associated with increased excitability and reduced inhibition. However, it is still not known whether these changes apply to both the dorsal and ventral hippocampus, which appear to be differently involved in neurodegenerative disorders. Using a Fmr1 knock-out (KO) rat model of FXS, we found increased neuronal excitability in both the dorsal and ventral KO hippocampus and increased excitatory synaptic transmission in the dorsal hippocampus. Interestingly, synaptic inhibition is significantly increased in the ventral but not the dorsal KO hippocampus. Furthermore, the ventral KO hippocampus displays increased expression of the α1GABAA receptor subtype and a remarkably reduced rate of epileptiform discharges induced by magnesium-free medium. In contrast, the dorsal KO hippocampus displays an increased rate of epileptiform discharges and similar expression of α1GABAA receptors compared with the dorsal WT hippocampus. Blockade of α5GABAA receptors by L-655,708 did not affect epileptiform discharges in any genotype or hippocampal segment, and the expression of α5GABAA receptors did not differ between WT and KO hippocampus. These results suggest that the increased excitability of the dorsal KO hippocampus contributes to its heightened tendency to epileptiform discharges, while the increased phasic inhibition in the Fmr1-KO ventral hippocampus may represent a homeostatic mechanism that compensates for the increased excitability reducing its vulnerability to epileptic activity.
Comparison of general circulation models to Earth Radiation Budget Experiment data: Computation of clear‐sky fluxes

The recent availability of top-of-the-atmosphere radiometric measurements from the Earth Radiation Budget Experiment provides important opportunities for testing and improving numerical climate models. What is unique about these satellite data is that they provide monthly mean clear-sky measurements. There is, however, considerable confusion as to evaluating clear-sky radiative fluxes in climate models in a manner that is consistent with the satellite data processing system. This study provides a clear-sky flux computation method that serves as an analog to the data processing procedure and so provides a model diagnostic that is consistent with the processed satellite data. 11 refs., 4 figs., 5 tabs.
Constraining Upper Mantle Anelasticity Using Surface Wave Amplitude Anomalies

SUMMARY We present an iterative method to constrain lateral variations in surface wave attenuation using long-period surface wave amplitude anomalies. the method acts to isolate the anelastic signal from elastic focusing effects, yielding largely unbiased estimates of lateral variations in the inverse seismic quality factor, q(ω) =Q=−1(ω) of the surface wave. In the zeroth iteration, linearized ray theory motivates the construction of a reduced datum, using measurements from four consecutive surface wave orbits, which is insensitive to elastic heterogeneity, an operation which requires no a priori knowledge of elastic structure. Synthetic experiments using both ray theoretic formalisms and normal-mode calculations reveal that significant levels of elastic bias remain in the reduced data due to deviations from linearized ray theory. In further efforts to eliminate elastic bias, the remaining elastic signal in each reduced datum is predicted and subtracted using accurate forward theory and existing aspherical elastic mantle models. This operation is the first iteration of a non-linear inversion in which the data at each iteration are the residuals between the observed anomalies and the anomalies predicted for a fixed phase velocity model and updated attenuation model. The zeroth and first iterations are performed with 1610 vertical and 790 longitudinal component seismograms from 144 events. Heterogeneity maps of Rayleigh wave attenuation δq(ω, θ, φ) are retrieved for the even degrees 2, 4 and 6 of a spherical harmonic expansion in the period range of 150–300s (oS25 - oS60)-These surface wave attenuation maps are analogous to elastic phase velocity in their radial averaging of, and linear relationship to, intrinsic heterogeneity and are inverted for upper mantle anelastic structure. Under the physically plausible assumption that intrinsic elastic and anelastic structure are correlated at every depth, the surface wave attenuation maps are well explained by a source region of anelastic heterogeneity that is radially localized in the shallow mantle (100-300 km) in a region we infer to be near the solidus temperature.