Miracle-dz/UniFAR-FTUs huggingface dataset:
Structure-activity relationship in phenothiazine antipsychotic drugs: Molecular orbital calculation, in silico molecular docking and physico-chemical parameters

A series of antipsychotic phenothiazine drugs, whose results of clinical trials are known, have been subjected to all valence molecular orbital calculations using AM1 method. Phenothiazines are well known antipsychotic drugs and many molecules of this group are studied for their activity. These molecules are docked in dopamine receptor and the energies of the drug receptor complexes are obtained. The physico-chemical parameters like logP, PSA, Volume, BBB and drug likeness score have also been found. A regression analysis has been carried out to obtained dependency of antipsychotic activity with different parameters derived from MO calculations, molecular docking and physico-chemical studies.
Creating Psychologically Healthy Workplaces

The experience of work and working has been shown to have both positive and negative effects on individual and family well-being (Burke and Page, 2017; Kelloway and Day, 2005a). In addition, both individual and organizational setting factors influence the nature of these effects. A sample of positive effects includes emotions such as passion and flow, flourishing in work, family and careers, and work–family enrichment. A sample of negative outcomes would include burnout, work addiction, stress and strains, work–family conflict, workplace incivility, accidents, and sexual harassment (Burke and Cooper, 2013). The American Psychological Association 2015 Stress in America survey reported that three-quarters of American workers experienced levels of stress that increased chronic diseases such as heart disease, depression and diabetes (American Psychological Association, 2016). The experience of workplace stress has been found to be directly or indirectly related to seven of the ten leading causes of death in developed nations (Quick and Cooper, 2003). These seven – in order – are: (1) heart disease; (2) cancer; (3) stroke; (4) injuries; (6) suicide/homicide; (9) chronic liver disease; and (10) emphysema, chronic bronchitis. There is also longitudinal evidence that the nature of professional and managerial work has changed over the past two decades (Worrall et al., 2016). Work now moves at a faster pace, managers and professionals work more hours in more intense jobs, feel less control over their jobs, and are more closely monitored (Kubicek and Korunka, 2017; Hewlett and Luce, 2006). Research in the public sector has indicated that work has both intensified and “extensified”, with more levels of management control and surveillance, and a shift of control from professionals to more senior managers with lower levels of trust. Managers and professionals face increased economic pressures and demands to cut costs. Ford Motor Company announced a 10 percent cut in their global workforce on 16 May 2017 (Naughton and Behrmann, 2017), mostly in North America and
Effectiveness of Scat Detection Dogs for Detecting Forest Carnivores

Abstract We assessed the detection and accuracy rates of detection dogs trained to locate scats from free-ranging black bears (Ursus americanus), fishers (Martes pennanti), and bobcats (Lynx rufus). During the summers of 2003–2004, 5 detection teams located 1,565 scats (747 putative black bear, 665 putative fisher, and 153 putative bobcat) at 168 survey sites throughout Vermont, USA. Of 347 scats genetically analyzed for species identification, 179 (51.6%) yielded a positive identification, 131 (37.8%) failed to yield DNA information, and 37 (10.7%) yielded DNA but provided no species confirmation. For 70 survey sites where confirmation of a putative target species' scat was not possible, we assessed the probability that ≥1 of the scats collected at the site was deposited by the target species (probability of correct identification; PID). Based on species confirmations or PID values, we detected bears at 57.1% (96) of sites, fishers at 61.3% (103) of sites, and bobcats at 12.5% (21) of sites. We estimated that the mean probability of detecting the target species (when present) during a single visit to a site was 0.86 for black bears, 0.95 for fishers, and 0.40 for bobcats. The probability of detecting black bears was largely unaffected by site- or visit-specific covariates, but the probability of detecting fishers varied by detection team. We found little or no effect of topographic ruggedness, vegetation density, or local weather (e.g., temp, humidity) on detection probability for fishers or black bears (data were insufficient for bobcat analyses). Detection dogs were highly effective at locating scats from forest carnivores and provided an efficient and accurate method for collecting detection–nondetection data on multiple species.
Optimizing Joint Operation of Two Tower Cranes Through Look-Ahead Planning and Process Simulation

Proper planning of on-site operations is critical to the effective delivery of a construction project. Many construction works, especially in high-rise buildings, require using tower cranes. In fact, early planning of tower crane operations before site execution helps reduce operational costs, enhance site safety, and optimize the works’ schedule. Lean principles and look-ahead planning in particular, along with 4D scheduling (time and location) of tower crane activities allow achieving optimal use of cranes. The purpose of this paper is to optimize the use of two tower cranes by simulating the scheduling of tasks in the overlapping work zones to achieve shorter operation durations and higher crane utilization rates. Early experimentation with the system and real-time assessment of alternative solutions reduce on-site problems and delays. In this respect, an optimization model based on parametric variation is developed for studying two cranes by using, as input, the construction schedule detailed down to daily operations through look-ahead planning. The model is also applied on a pilot case study to demonstrate the logic and outcomes of the model. The research contributes towards providing engineers, planners, crane operators, superintendents, and foremen with a model that can be used daily to better plan, in advance, the tasks to be executed by the cranes. The model can therefore provide a balanced workload schedule for both cranes and achieve the best utilization rates while reducing idle times to ultimately boost the production of the cranes while reducing project duration and cost.
How skateboarding made it to the Olympics: an institutional perspective

Utilising new institutionalism and resource-dependency theory, this paper examines the organisational context of competitive skateboarding. Many within skateboarding have sought to distance themselves from the institutionalised competitive structure exemplified by the Olympic Games, despite a growth in competitive skateboarding within increasingly formal structures. This paper explores how the sport has evolved and how Olympic inclusion has impacted on its organisational arrangements. Data were collected through semi-structured interviews, supplemented by selected secondary sources. The conclusions of the research are: 1) skateboarding has always functioned as a network which includes event organisers, media companies, and equipment producers, with governing bodies playing a more peripheral role; 2) there was a strong lobby from elite skateboarders in support of inclusion in the Olympics although only on 'skateboarders terms'; 3) interest from the International Olympic Committee has affected the organisational evolution of skateboarding and has stressed issues of organisational legitimacy in this sport.
PLASMID REDUCTION VIA SODIUM ARSENITE IN ESCHERICHIA COLI

The effects, at sub-MIC concentration (25mg/L), of sodium arsenite on different bacterial functions were studied. This compound reduced the killing activity of nalidixic acid, amikacin, and meropenem. It also promoted the loss of F’lac from bacterial hosts and increased the number of recombinants in conjugation and transduction experiments. Transposition of Tn9 was also enhanced by the salt. In addition, sodium arsenite abolished the lethal effect of the temperature against thermo-susceptible DNA synthesis mutants in a similar manner to that seen in an anaerobic environment. Finally at a low dose, it induced the SOS response, and the related production of the recA-dependent enzymes and plasmid were reduced as the sodium arsenite concentration was increased. It has been suggested that arsenite primarily affects the uvrA gene product influencing the other bacterial functions studied. The energetic depletion caused by this compound appears to play a role in the activity of autolytic enzymes.
Inoculation with Rhizobium etli enhances organic acid exudation in common bean ( Phaseolus vulgaris L.) subjected to phosphorus deficiency

Common bean (Phaseolus vulgaris L.) production is severely limited by phosphorus (P) deficiency in tropical and subtropical regions. Plants are known to exudate organic acids in order to survive in low nutrient environment. However, little is documented on the effect of inoculation on organic acids exudation by plants as a strategy to adapt to low P stress. In this study, the organic acids exuded by two bean genotypes (known to have contrasting symbiotic nitrogen fixation capacities) inoculated with Rhizobium etli and subjected to P deficiency were compared. The results showed that, under P deficiency, the P efficient genotype (BAT477) secretes higher amounts of organic acids serving as nutrient for Rhizobacteria or involved in P solubilisation. Furthermore, inoculation with R. etli under P deficiency strongly enhanced the exudation of oxalate and citrate by the P-efficient genotype. These effects of P-level and inoculation on root exudation were much less observed for the P-inefficient genotype (DOR364). This study indicated the difference in organic acid exudation between the two bean genotypes, especially in combination withRhizobium inoculation which may contribute to the contrast in performance under P deficiency. Key words: Phaseolus vulgaris, Rhizobia, root exudation, genotypic performance, phosphorus efficiency
Study of Anticoagulant Dabigatran by Analytical Instrumentation

Dabigatran with IUPAC name 3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid, which can be used to prevent strokes in those with atrial fibrillation due to causes other than heart valve disease, and at least one additional risk factor for stroke (congestive heart failure, hypertension, age, diabetes, and prior stroke), with molecular formula C34H41N7H5 was studied in detail for functional group analysis with FTIR, characteristic absorbance by UV-NIR, thermal behavior by TGA-DTA-DSC, particle size and stability of the molecule with Nano particle size analyzer. The structure was confirmed by LC-MS/MS with ESI probe and mass was found in aggregation with the reported standard values. The purity of drug was determined by Prep. HPLC analysis. FTIR analysis showed the characteristic peak of carboxylic acid, UV-NIR analysis showed that the λmax was 224 nm with methanol as a diluent, the compound was found stable in the thermal analysis, the average particle size was found to be 25.2 nm, Z-average as 0.2 nm and zeta potential as -67.6 mv hence showed excellent stability in the zeta potential analysis as per ASTM standards D4187-82, American Society of Testing and Materials, 1985.
Gain-scheduling Control of a Monocular Vision-based Human-Following Robot

Abstract This paper presents a gain-scheduling controller for a human-following robot. Typical controllers use either a point-to-point approach where the relative orientation between human and platform is uncontrolled, or a direction-based approach which corrects orientation errors at the expense of additional actuation. We describe the flaws and benefits of each and argue that a gain-scheduling controller combining the two is better equipped to deal with the challenges of human-following. A model of our feature-based, single camera vision system is presented and used to show that the gain-scheduling controller offers better performance than its components, and actual responses to a human following task are used to corroborate this.
Approach To Design and Develop Highly Efficient Face Detection System

In the field of biometric and video coding, face detection and tracking has been an important and active research area. We have proposed a system to implement a real time face detection system to detect and track the human face. Image filtering and color based skin segmentation will be used in our proposed face detection algorithm. We would be working on various methods to determine the location of face in an image, one way can be by calculating the centroid of the detected region. We would be implementing the software version of this system in MATLAB and will test the system on still pictures. By this approach, an attempt is made to improve the accuracy and effectiveness of the real time system under various facial poses and, skin colors and varying light conditions. The application will be tested in real time with minimum computation effort, hence power limited applications may find our proposed approach very useful and efficient.
MANAGEMENT ENTRENCHMENT AND PERFORMANCE: CASE OF TUNISIAN FIRMS

Since entrenchment strategy has a real impact on performance, we examine in this paper the relationship between entrenchment and performance. This study is based on cross-section data of 21 quoted Tunisian companies (from both manufacturing and service sector) over the period 2000 to 2006. Our evidence contributes to understanding the role played by several entrenchment pathways, such as the ownership structure, the debt policy and the structure of the board of directors. In this paper, we aim to shed light on these governance’s features by indicating by which channel entrenchment strategy is carried out in Tunisian companies.
Airborne observation of mixing across the entrainment zone during PARADE 2011

Abstract. This study presents the analysis of the structure and air mass characteristics of the lower atmosphere during the field campaign PARADE (PArticles and RAdicals: Diel observations of the impact of urban and biogenic Emissions) on Mount Kleiner Feldberg in southwestern Germany during late summer 2011. We analysed measurements of meteorological variables (temperature, moisture, pressure, wind speed and direction) from radio soundings and of chemical tracers (carbon dioxide, ozone) from aircraft measurements. We focus on the thermodynamic and dynamic properties that control the chemical distribution of atmospheric constituents in the boundary layer. We show that the evolution of tracer profiles of CO2 and O3 indicate mixing across the inversion layer (or entrainment zone). This finding is supported by the analysis of tracer–tracer correlations which are indicative for mixing and the relation of tracer profiles in relation to the evolution of the boundary layer height deduced from radio soundings. The study shows the relevance of entrainment processes for the lower troposphere in general and specifically that the tracer–tracer correlation method can be used to identify mixing and irreversible exchange processes across the inversion layer.
Simulating the Coronal Evolution of AR 11437 Using SDO/HMI Magnetograms

The coronal magnetic field evolution of AR 11437 is simulated by applying the magnetofrictional relaxation technique of Mackay et al. A sequence of photospheric line-of-sight magnetograms produced by the Solar Dynamics Observatory (SDO)/Helioseismic Magnetic Imager (HMI) is used to drive the simulation and continuously evolve the coronal magnetic field of the active region through a series of nonlinear force-free equilibria. The simulation is started during the first stages of the active region emergence so that its full evolution from emergence to decay can be simulated. A comparison of the simulation results with SDO/Atmospheric Imaging Assembly (AIA) observations show that many aspects of the active region’s observed coronal evolution are reproduced. In particular, it shows the presence of a flux rope, which forms at the same location as sheared coronal loops in the observations. The observations show that eruptions occurred on 2012 March 17 at 05:09 UT and 10:45 UT and on 2012 March 20 at 14:31 UT. The simulation reproduces the first and third eruption, with the simulated flux rope erupting roughly 1 and 10 hr before the observed ejections, respectively. A parameter study is conducted where the boundary and initial conditions are varied along with the physical effects of Ohmic diffusion, hyperdiffusion, and an additional injection of helicity. When comparing the simulations, the evolution of the magnetic field, free magnetic energy, relative helicity and flux rope eruption timings do not change significantly. This indicates that the key element in reproducing the coronal evolution of AR 11437 is the use of line-of-sight magnetograms to drive the evolution of the coronal magnetic field.
Effects of Pistacia terebinthus seed meal and different storage times on egg quality of laying hens

ABSTRACT The present study examined the effect of supplementing the diets of laying hens with Pistacia terebinthus seed meal on egg quality during different storage intervals. A total of 192 laying hens (Babcock) were divided into six groups, and each group was further divided into four subgroups with eight hens each. Pistacia terebinthus seed meal was added to the diets of laying hens in the experimental groups at a rate of 0, 10, 20, 30, 40, and 50 g kg−1 [. ]
Constructing choreography — a transdisciplinary challenge : children’s constructing the choreography of the “Dance of the dinosaurs”

The aim of this study is to contribute to the understanding of the transdisciplinary exploration of children in constructing the choreography of the “Dance of the Dinosaurs”, with mathematics being one of the disciplines used. Central questions explored were: 1. What form did the children’s transdisciplinary exploration take? 2. What could be learned about the mathematical understanding of the children? and 3. What problems emerged during the process and how did the children respond to these? The study is an example of dialogical research, providing a bridge between post-modern and modern theories and approaches. Deconstructive dialogue, imagination, and rhizomatic thinking are central concepts in the theoretical framework. The empirical material consists of six-hour video-taped material. The study found that the children explored and identified new problems, which they then critically reflected and called in question. Time, space, shape, size, numbers, and patterns emerged in their mathematical work. The children cooperated with each other during the problem-solving process and looked for further challenges.
Molecular Characterization of Some Soil Originated Trichoderma Species

The aim of this study was the molecular characterization of the some Trichoderma species which were previously isolated by cultural sampling methods from agricultural soils . A 20 of of 39 strains of Trichoderma which were identified to species level by morphological data.were molecular characterized. Their characterization were based on the internal transcribed spacer regions 1 and 2 (ITS 1 and ITS2) of ribosomal RNA (rRNA) and a fragment of the translation elongation factor 1-alpha (tef1 gene) sequences. Based on the sequence data and cultural examinations, strains were grouped into 4 which are included in : afroharzianum, atroviride, gamsii and harzianum. Among them,T. gamsii was the most encountered species. The species T. afroharzianum was reported as the first time for Turkey.
The social and financial efficiency of microfinance institutions: the case of Bosnia and Herzegovina

Abstract This paper investigates the financial and social efficiency of microfinance institutions (“MFIs”) in Bosnia and Herzegovina, as well as the effects of the latest crisis on these “two-dimensional” efficiencies. Specifically, we analyze the efficiency of MFIs in Bosnia and Herzegovina (BiH) as a good case of a European, post-war country in transition with a developed micro-financial sector. The efficiency analysis relies on secondary data collected and investigated through Data Envelopment Analysis (DEA). The study covers data for the period commencing in 2008 and ending in 2015. In our empirical investigation, we find a suboptimal level of both financial and social efficiency among MFIs in BiH. However, financial efficiency is significantly higher than social efficiency, while small-sized MFIs over perform larger ones in both the financial and social dimensions. As a result of the crisis, MFIs recorded a declining trend in efficiency up to 2010, after which they began to show signs of slow recovery. However, our results suggest that MFIs prioritized financial over social goals in recovery period following the crisis.
Fourier transforms Investigation of Global Solar Radiation at True Noon: in the Desert climatology

The aim of this work has been to obtain a typical annual time a function by the application of a calculation procedure based on a Fourier analysis to global solar radiation data of nine years at Helwan Egypt from June 1991 to August 1999. This function allows us to estimate the most probable values of the horizontal daily global solar radiation for every day of the year at Helwan Egypt. It is confirmed that the harmonic model presents an important percentage with 98% confidence bounds. The applied method permits its application to the new measurements of solar radiation that are being carried out, This will be necessary because of the number of years used in this study.
Relationship Between Job Satisfaction and Business Excellence: Empirical Evidence from Hospital Nursing Departments

Business excellence is important in terms of encouraging successful quality implementations, disseminating the result of such implementations to society, making quality culture widespread, creating a basis for comparison of quality implementations, and directing the quality implementer to continuous improvement. Excellence models affect performance and help organizations achieve organizational excellence. Furthermore, employee satisfaction is another concern of organizational excellence. The measurement of job satisfaction has become an important issue in TQM. In this respect, the extent to which employees are satisfied with what they are responsible for may directly influence the level of customer satisfaction with their services and products. The main purpose of the study is to determine the relationship between business excellence and job satisfaction. In order to reach this goal, a survey that contains Job Descriptive Index with 5 factors and EFQM Criteria with 6 factors is applied to different nursing departments of two research hospitals. Both hospitals are in the business excellence process. Data obtained in the study has been analyzed at the base of multivariate data analysis and the results show that the canonical correlation between job satisfaction and business excellence model is significant. Theoretical and practical implications of the findings are also discussed in the paper.
The Dynamics of Art Prices: The Selection Corrected Repeat-Sales Index

The repeat-sales model controls quality by utilizing the transacted prices of the same items in di.erent time periods. However, this methodology suffers from non-randomness of the data, implying that a sample based only on repeat-sales items may not represent the population of properties. To address this potential problem, the Heckman two-stage procedure has been applied to a sample of Picasso prints over the period 1988-1995 as registered in the 1995 edition of the Mayer International Auction Records on CD-ROM. Empirical evidence shows that the selection corrected repeat-sales model yields substantially better goodness of fit than the estimated standard repeat-sales specification.