Miracle-dz/UniFAR-FTUs huggingface dataset:
Optical Spectra of the Special Au144 Gold-Cluster Compounds: Sensitivity to Structure and Symmetry

This report concerns the remarkable fine structure reported recently in the optical absorption spectrum of the ubiquitous icosahedral Au144(SR)60 cluster compounds when measured under cryogenic conditions. The theoretical explanation of the spectrum relied upon an I-symmetrized variant of the conventional Pd145-type structure-model; real-time TDDFT calculations revealed that, in contradistinction to the prior state of knowledge, the spectrum is profoundly structured and rich in quantum-state information.1 Reported herein is an investigation of the sensitivity of the theoretical electronic absorption spectra of this compound to variations in the structure. Both I-symmetric as well as asymmetric structure-models are considered; having the same core structure and connectivity, these differ in the mutual configurations about the pyramidal S atoms, which produce significant structure differences penetrating into the gold core. As R-groups, both methyl (R=CH3) and hydrogen (R=H) are considered. The effects on t.
The Effects of Self-Efficacy on Cognitive Function in Patients with Acute Stroke: Verification of the Medicating Effect of Family Support

Background: Post–stroke cognitive impairment (PSCI) is a common consequence of stroke. Many factors that affect cognitive function are known, but the effects of self-efficacy and family support have not been identified. Objectives: This study was a descriptive correlation investigation to determine the mediating effects of family support on the relationship between self-efficacy and cognitive function in stroke patients. Methods: This descriptive cross-sectional study recruited 339 adult patients with acute stroke. Data were collected using structured questionnaires between January and June 2020 and analyzed by multiple regression analysis using SPSS 25.0. The mediating effect of resilience on the relationship between emotional labor and job satisfaction was analyzed using multiple regression analysis according to Baron and Kenny’s procedure. Results: In this study, self-efficacy in patients with acute stroke showed a positive relationship with cognitive function (r=.467, p<.05) and family support (r=.341, p<.001), and family support and cognitive function also showed a positive relationship (r=.356, p<.05). In addition, family support was shown to have a partial mediating effect on the relationship between self-efficacy and cognitive function in patients with acute stroke (β=.26, p<.001). Conclusions: To improve the cognitive function of acute stroke patients, their self-efficacy and family support must be evaluated, and interventions are necessary to enhance self-efficacy and improve family support.
Standardisation of RTS beverage from reconstituted cashew apple-based blended juice powder along with Sugandi

Cashew has commercial value for its nut and peduncle (false fruit), known as cashew apple. Requirements of consumers considering convenience, food safety, health benefits and sensory quality have increased demand for fruit juices. Instant juice powders can meet consumer requirements being cheap to transport and with prolonged shelf life. Then the blended juice was mixed with maltodextrin @15 per cent, i.e., 15 g for 100 mL of blended juice by proper homogenisation. The roots of the sugandi (Swallow root Decalepsis hamiltonii) were collected, cleaned thoroughly and the central white portion of the roots was discarded. Among the blended juice treatment combinations, the highest pH of 3.45 was recorded in B3 (75% cashew apple juice + 25% pineapple juice powder at 150°C inlet temperature with a flow rate of 10 mL min-1). The ready-to-serve (RTS) beverage, along with sugandi stored under refrigerated condition, were free from microbial proliferation till the end of the storage period (60th day of storage), indicating its fitness for consumption with maximum flavour, taste and overall acceptability.
The Effect of Motive Fulfilment as a Meditating Variable between Perceived Organisational Support and Volunteers’ Affective Commitment in Non-Profit Organisations 

In this paper, the influence of organisational factors and the role of individual factors on affective commitment is examined, particularly whether volunteers’ motive fulfilment mediates the influence of perceived organisational support on volunteers’ affective commitment. A cross-sectional survey was used to collect data from 213 volunteers from five non-profit organisations in Queensland, Australia. Perceived organisational support is found to have a significant relationship with volunteers’ affective commitment. Furthermore, motive fulfilment has a significant effect on the impact of perceived organisational support (POS) on the outcome. The results of the study provide new knowledge about the importance of motive fulfilment as a tool for improving volunteers’ positive experiences of an organisation and explain how motive fulfilment promotes increased affective commitment.
Self-Esteem and Reactive Aggression: An EMG Biofeedback Training Approach

Human aggression and violence is a worldwide public health concern that has greater influence on both the offenders and victims. Although many theorists have recognized multiple and complex causes of such behaviors, a number of researchers have pointed out self-esteem as an important component in behavioral change and prevention of crime. The association of self-esteem and aggression is most frequently studied and traditional viewpoint assumes that low self-esteem is a significant predictor of aggression. Researchers suggest that individuals with low self-esteem may benefit from therapeutic techniques. Following indications from the previous researches, the objective of the present study was to examine the role of EMG biofeedback in enhancing self-esteem of aggressive adolescents. It was hypothesized that EMG biofeedback would improve self-esteem and reduce reactive aggression of participants in experimental group. A pre-post experimental-control group design was used. Self-Esteem Inventory and Reactive-Proactive Aggression Questionnaire were used to identify male adolescents with low self-esteem and high reactive aggression respectively. Further identified subjects were randomly assigned to experimental and control groups. EMG biofeedback training was given to participants of experimental group (n=90) for ten sessions. Control group (n=90) participants did not receive any training. At the completion of intervention program, participants of both groups were again assessed on Reactive-Proactive Aggression Questionnaire and Self-Esteem Inventory. Obtained scores were subjected to one way Analysis of Variance. It was revealed that EMG biofeedback training made a significant improvement in students' level of self-esteem (F=57.88, p< 0.01) and a significant reduction in reactive aggression (F=121.31, p < 0.01) among participants of experimental group. The significant implications of the findings have been discussed.
UNMASKING THE EFFECTS OF TEACHERS WHISTLEBLOWING SOME ATTRIBUTES ON IMPLEMENTING STEM EDUCATION: NATIONAL CURRICULUM DOCUMENT 2006 PERSPECTIVE

Abstract Purpose of the study: The purpose of the current research was to measure the effect of teachers self-efficacy, locus of control, and emotional labour on implementing STEM education, focusing on national curriculum document 2006 concerns/guidelines. The researchers enthusiastically explored and reported actual situations happening to implement STEM Education in male public sector primary schools of district Lahore, Punjab province of Pakistan. Methodology: The researchers structured quantitative leading to ex post facto research focusing positivist paradigm on a sample randomly selected 530 participants. The researchers administered Henson (1999) Sources of Self-efficacy Inventory, Rose and Medway (1981) Locus of Control Scale, Çukur (2009) Teachers Emotional Labour Scale, Nistor et al. (2018) Teachers questionnaire on STEM Education Practices and self-constructed questionnaire on national curriculum document 2006 based concerns/guidelines on STEM Education, to collect the data from male primary schools teachers working in public sector schools of Lahore. The researchers run regression analysis and Pearson Product Moment Correlation (r) to analyze the data. Main findings: Findings of the current research revealed that teachers self-efficacy have affected 82.90%, locus of control 65.60%, emotional labour 70.50% and national curriculum document 2006 have affected 28.10% on implementing STEM education. Moreover, a significant strong relationship existed between self-efficacy and STEM education (r = .910**, n = 528, p < .05), locus of control and STEM education (r = .873**, n = 528, p < .05), emotional labour and STEM education (r = .840**, n = 528, p < .05) and a significant and weak association yield between national curriculum 2006 concerns and STEM education (r = .002**, n = 528, p < .05). Applications of the study: The findings of the current research will be applicable for primary schools male teachers who break the ice about their cognitional, social, and emotional attributes that are practised to implement STEM education focusing national curriculum document 2006; as they monotonously worked for students lap of luxury. Novelty/originality of this study: There are hardly any studies conducted on self-efficacy and STEM education but, void researches structured to measure the effect of teachers locus of control, emotional labour, and national curriculum document 2006 based concerns/guidelines on implementing STEM education. The authors has made a significant contribution by portraying clear pictures of current appealing situations happening in male public sector primary schools of district Lahore of Punjab-Pakistan.
Kriging parameter optimisation: Global versus local search strategies

Kriging methods require parameters to define search strategy (kriging neighbourhood). These parameters affect the precision and accuracy of its estimates. Frequently, the choice of these parameters is merely subjective. Some practitioners prioritise estimates that lead to models with a reduced smoothing effect or a regression slope as close as possible to one. However, it is prevalent to use the same kriging neighbourhood or search strategy for all blocks estimated within a stationary domain. This study presents a contribution that challenges this concept by using a block-by-block optimisation approach focused on the localised kriging parameter optimisation (LKPO) methodology. A comparative study is carried out, and some of the metrics analysed include the kriging efficiency and the slope of regression (typical in optimising methodologies in the mining industry). The results indicate that the LKPO methodology provides more accurate and precise estimates than those based on a global kriging neighbourhood.
Zooplankton Community Dynamics in Temporary Mediterranean Wetlands: Which Drivers Are Controlling the Seasonal Species Replacement?

Temporary Mediterranean wetlands are characterized by both intra and interannual variations in their environmental conditions. These inherent fluctuations in limnological features affect the seasonal variation in the structure and dynamics of the aquatic communities. In this study, we hypothesized that zooplankton community is coupled to seasonal changes of the environmental variables along the hydroperiod. To get this purpose, the study was focused in monitoring, by collecting monthly samples during an annual period, seven temporary Mediterranean ponds located in the south-eastern region of the Iberian Peninsula (Alto Guadalquivir region, Andalusia). The relationships between zooplankton community and the different limnological variables were analyzed based on two approaches: a Spearman correlation analysis and a correspondence canonical analysis (CCA). The results have shown that chlorophyll-a concentration, Secchi depth, total nitrogen concentration, wetland area and depth were the variables with a greater influence on the zooplankton community, explaining the zooplankton species replacement. Moreover, optima and tolerance of the zooplankton species were obtained from the position of species within CCA diagram, allowing the separation of different groups of zooplankton along the hydroperiod. We finally highlight that the monitoring of zooplankton community and environmental conditions are necessary to evaluate how theses singular and endangered aquatic ecosystems will be affected by anthropogenic activities in the future.
Calibration and Testing of the Aquacrop Model for Rice under Water and Nitrogen Management

ABSTRACT The objective of this study was to adapt and test the ability of the AquaCrop model under different nitrogen and irrigation management conditions in northern Iran. A three-year field experiment was conducted at the experimental farm of the Iranian Rice Research Institute in Rasht, Iran, from 2005 to 2007. Irrigation treatments comprised continuous submergence, irrigation at 5-day intervals, and irrigation at 8-day intervals. Nitrogen (N) application levels were 0, 45, 60, and 75 kg N ha−1. The goodness of fit between observed and simulated canopy cover, total and panicle biomass, grain yield, and final biomass was assessed by means of the coefficient of determination (R2) and the absolute and normalized root mean square errors (RMSEn). Results of the statistical test of the model for total and panicle biomass showed moderately high R2 (≥0.90) and moderate RMSEn (6–36%) values, confirming that the model simulated the total and panicle biomass accurately. The model was simulated for CC with RMSEn and R2 of 28 and 0.82, respectively. The agreement between predicted and observed rice grain yield and final biomass were with R2 of 0.81 and 0.82 and RMSEn of 13 and 10% respectively.
DIVIDEND POLICY, CORPORATE GOVERNANCE AND EARNINGS QUALITY: A CASE OF NON-FINANCIAL LISTED FIRMS OF PAKISTAN

Purpose of the study: This research empirically examined the impact of the dividend policy and corporate governance attributes (board size, board meetings, audit quality, nomination committee, board independence, remuneration committee, and CEO duality) on earnings quality (EQ) of the firms in Pakistan. Methodology: The study used secondary data of 148 non-financial listed companies of the Pakistan Stock Exchange (PSX) with 1450 firm-year observations over 10 years from 2010 to 2019. Earning quality was assessed by the earnings management, while the values of the discretionary accruals were used to measure earnings management by employing the Modified jones model (1995). Panel regression analysis examined the impact of independent variables (dividend policy & characteristics of CG) on the dependent variable (EQ). Main Findings: Results revealed that the dividend policy showed no significant impact on earnings quality. Also, the results indicated that the audit quality and remuneration committee have a significant negative impact on earning management and a positive impact on earning quality. However, the results illustrate that the large board size, board meetings, CEO duality, firm size, and leverage have a positive influence on earnings management and a negative impact on earnings quality. Overall the study found that the corporate governance characteristics, firm size, and leverage influence the earnings quality of the firms in Pakistan. Applications of this study: The empirical results of the study will help to improve the understanding of dividend policy & corporate governance attributes in relationship with the EQ. Second, as dividend is considered one of the most important factors influencing investment decisions, so this endeavour will clarify to the investors and regulators that whether dividend will predict the quality of earnings in Pakistani firms. Novelty/Originality of this study: This study extends the literature of earnings quality that is very thin in Pakistan.
Condensed Outpatient Rehabilitation Early After Lung Transplantation: A Retrospective Analysis of 6-Minute Walk Distance and Its Predictors

Purpose: The objectives were to evaluate the effect of a condensed post-lung transplant outpatient rehabilitation program started immediately after hospital discharge on 6-minute walk distance (6MWD) and to explore predictors of change in 6MWD and time to complete rehabilitation. Methods: Data were retrospectively collected from July 2009 to February 2019 on recipients who completed physical therapy-based posttransplant outpatient rehabilitation (PTOR). Changes in 6MWD prerehabilitation to postrehabilitation were assessed using repeated measures, and predictors were assessed using multiple linear regression. Results: Participants (N = 819, 61% men, 61 years) began PTOR 2 days (interquartile range [IQR] 1–3) after hospital discharge. The mean 6MWD of 324 m (SD = 107) improved after rehabilitation to 488 m (SD = 105). Factors associated with improvement were younger age (P = .003), higher baseline forced expiratory volume in 1 second (FEV1) (P < .001), and lower baseline 6MWD (P < .001). Participants averaged 22 sessions in 41 days (IQR 35–50); with lower baseline FEV1 (P = .002) and 6MWD (P < .001) associated with longer completion time. Conclusions: A condensed outpatient rehabilitation program early after lung transplantation was associated with a large, clinically meaningful improvement in 6MWD. Salient predictors of improvement included age, lung function, and starting 6MWD. These findings from a large cohort of lung transplant recipients who participated in PTOR can assist clinicians in tailoring strategies to optimize patient management.
Xanthomatous Hypophysitis Secondary to a Ruptured Rathke’s Cleft Cyst: A Case Report

Hypophysitis (HP) is a rare disease which develops secondary to chronic or acute inflammation of the pituitary gland and may cause symptoms related to pituitary dysfunction and mass compression. Lymphocytic HP is the most common subtype of primary HP, while xanthomatous HP (XHP) is considered the rarest form, with 35 reported cases, to date. A 35-year-old woman was initially admitted to a Gynecology clinic with a 2-year history of amenorrhea and headache. She was started on cabergoline 0.5 mg twice a week for macroprolactinoma. Due to persistent amenorrhea with low gonadotropins, she was referred to our Endocrinology clinic. Her pituitary function profile revealed panhypopituitarism and a 13×11×12 mm sized sellar mass with diffuse enhancement which sustained toward the infundibulum and dura was observed on the gadolinium-enhanced pituitary MRI. The patient underwent an endoscopic endonasal transsphenoidal approach for tumor resection and thick yellowish fluid draining from the lesion was observed. The histopathological diagnosis was reported as a rupture of an Rathke’s cleft cyst and an XHP. The surgery did not improve the symptoms/pituitary functions, however, headache recovered immediately after the first dose of high dose methylprednisolone treatment. The inflammatory process in a xanthomatous lesion may actually be a secondary response to mucous fluid content release from a ruptured cyst, thus recommended to classify XHP as secondary hypophysitis. Since the differentiation of XHP from other pituitary tumors may be challenging preoperatively, surgery is the major diagnostic tool and also, the most recommended therapeutic option.
Startup characteristics of polymer electrolyte fuel cells under subzero temperatures

Cold start capability and survivability of polymer electrolyte fuel cells (PEFCs) in a subzero temperature environment remain a challenge for automotive applications. Fundamental mechanisms governing cold start are not fully understood, although it is recognized that product water becomes ice or frost upon startup when PEFC internal temperature is below the freezing point of water. If the local pore volume of the cathode catalyst layer (CL) is insufficient to contain all of the accumulated water before cell operating temperature rises above freezing, ice may plug the CL and stop the electrochemical reaction by starving it of the reactant gases. In this dissertation the characteristics of PEFC cold start are experimentally studied in three parts, as follows. In part one the cold start capability and characteristics of the PEFC are investigated, introducing the concept of isothermal cold start. For this study two methods of gas purge are used to generate the initial conditions prior to cold start. The first method is to precisely control the cell internal condition to examine the intrinsic capability of the membrane and electrode assembly (MEA), although the purge procedure to generate this condition is not practical for vehicular application. The second is designed to simulate realistic operation in a fuel cell vehicle, but is less controllable, and less efficient with respect to cold start performance. In both cases, it is found that the membrane water absorption during cold start is important for better cold start performance, and therefore the initial condition with low membrane water content is crucial. In part two, the gas purge process is elucidated. Gas purge is an integral part of the PEFC shutdown process, and this process determines the initial conditions of the eventual cold start. To investigate purge effectiveness, the experimental procedure to provide excellent repeatability is first developed. Introducing two characteristic parameters for purge effectiveness which represent the through-plane diffusive flux of water vapor from the CL to gas channels, and the in-plane convective flux of water vapor through the gas channels, respectively, it is found that the cell high frequency resistance after 60 second purge can be uniquely determined by these two parameters. Part three provides a method to measure the time- and space-resolved water distribution along the gas channels. Purge effectiveness decreases as the purge gas flows down the channel because of the increasing water vapor pressure. Therefore, in order to develop a time-saving, energy-efficient purge protocol for vehicular applications, it becomes imperative to capture the spatial distribution of purge effectiveness. Measurement of local high frequency resistance (HFR) is non-trivial, because the imposed AC current can travel in-plane through the gas diffusion layers (GDLs) and pass across the membrane in the adjacent regions. In this study, we developed a novel method to estimate the local HFR during gas purge, and obtained the transient local HFR…