Miracle-dz/UniFAR-FTUs huggingface dataset:
Excluded-Volume Short-Range Repulsive Potential for Tetrahedral Molecules

Tetrahedral symmetry in nematic liquid crystals has been studied for several years, since the seminal paper by Fel [1]. Amongst statistical theories of nematic liquid crystals, a molecular mean-field model has proven to be quite effective in predicting phase sequences for thermotropic biaxial nematic molecules endowed with D2h symmetry, as a function of the parameters entering their interaction potential [2,3]. This model has highlighted the role of a partially repulsive quadrupolar potential of mean torque in promoting condensed phases. It has been shown that the quadrupolar approximation to the excluded-volume interaction between hard spherocuboids can be written precisely as the superposition of two London interactions: one repulsive and one attractive [4]; furthermore, polar steric interactions have been shown to be capable of inducing orientationally ordered states possibly unexpected [5]. By adapting a numerical code available to the scientific community, we evaluate the analytical excluded volume function for non-convex tetrahedral molecules, modelled as chains of tangent hard spheres. Since this function is overly complicated, we expand it over a suitable set of Symmetry Adapted Wigner Functions (SAWFs).
DHQ: Digital Humanities Quarterly: Developing Geographically Oriented NLP Approaches to Sixteenth–Century Historical Documents: Digging into Early Colonial Mexico

This article introduces an ongoing Digital Humanities project aimed at leveraging the benefits of Natural Language Processing, Corpus Linguistics, Machine Learning, and Spatial Analysis for advancing the computational analysis of vast historical corpora. As a case study, the project concentrates on the Relaciones Geográficas de la Nueva España (1577–1585), one of the key corpora for understanding the early colonial period of Mexico. Using a computer–assisted methodology called Geographical Text Analysis (GTA), the project offers automatic means for parsing historical texts and the markup of words referring both to place names (toponyms) and analytical concepts that are then linked to their geographic locations. Adding geospatial intelligence to the parsing of texts allows exploring hidden geographies and narratives in the historic corpus. The article provides a general overview of the corpus, describes the GTA methodology step by step, and reports on the progress achieved so far.
Theory of Planned Behavior and the Influence of Communication Self-Efficacy on Intention to Pursue a Software Development Career

In modern software development, communication is one of the key success factors in software project development and team performance. However, software engineering (SE) students and educators may not have fully considered its significance in comparison to technical skills. The objective of the study was to determine the influence of communication self-efficacy and factors related to the theory of planned behavior (TPB) on the intention to pursue a career in software development. A survey was used to collect data from senior SE students at six universities in Thailand. The partial least squares – structural equation model (PLS-SEM) was used to analyze the data. The findings indicate that attitudes toward software development careers and communication self-efficacy for software development had a positive influence on the students’ intention to pursue a career in software development. This study is the first attempt to investigate how communication self-efficacy in software development affects intention to work in a software development career. Educators can use the findings to improve curricula to foster students’ communication self-efficacy and encourage them to pursue a software development career.
Short-Term Pre-Germination Exposure to ELF Magnetic Field Does Not Influence Seedling Growth in Durum Wheat (Triticum durum)

The effects of a short (15 and 30 s) exposure of durum wheat (Triticum durum) seeds to extremely low frequency magnetic field (f = 50 Hz, B = 15 mT) on germination and seedling growth under controlled laboratory conditions were studied. Germination rate, fresh weight of seedlings, seedlings height and chlorophyll contents were measured the 4 th and 8 th day after sowing. Magnetic field did not influence the seed germination process. Fresh weight was affected by applied treatments in the first four days (118% and 89% of control plans for 15 s and 30 s treatment, respectively). In the further period, the action of magnetic field (MF) pre-treatment on growth of seedlings was eliminated, resulting in compensation of growth potentialities. The chlorophyll levels in seedlings were significantly modified, on both the 4 th (120% and 87% of control plans for 15 s and 30 s treatment, respectively) and 8 th (94% for 15 s treatment and 96% for 30 s) days. However, the chlorophyll a and b ratios remained unchanged after MF treatments. The results show that MF may have, a mostly temporary, negative and positive effect on early growth, which is strongly dependent on the applied exposure time.
Playing With Unicorns: AI Dungeon and Citizen NLP

AI Dungeon 2 is an indie text adventure game that caught traction within the gaming and hobbyist machine learning communities for its promise of “infinite” customizable adventures, which are generated and narrated by GPT-2, OpenAI’s 1.5 billion parameter language model. Samples of gameplay illustrate AID’s remarkable linguistic competence and domain knowledge, as well as its capacity for what can only be described as wackiness. More striking are AID’s innovative gameplay mechanics, which reimagine how we interact with large language models. Game play entails a procedural and incremental process of engaging with GPT-2 that opens up the possibility of developing a holistic and interdisciplinary framework for meaningful qualitative evaluation of language models that does not have commercial use as its necessary endgame. With respect to both evaluation and writing itself, AID situates human players inextricably “in the loop” as necessary partners with autonomous systems. Our article thus reads AID both as an example of current hobbyist relations with machine learning and as a responsible model for future human-AI collaborative creative practices.
The effects of playing the COSMA cognitive games in dementia

Brain Training games are increasingly gaining attention as a nonpharmacological intervention to promote well-being and quality of life in people living with dementia. Herein we present the COSMA software and a pilot study to evaluate its impact on the emotions of people in the spectrum of dementia. The software was created in accordance to the UK National Institute for Health and Care Excellence (NICE) guidelines as a ‘brain-stimulating’ software for use by people with cognitive impairment i.e., mild cognitive impairment (MCI)
Automated Visual Content Analysis for Film Studies: Current Status and Challenges

Lots of approaches for automated video analysis have been suggested since the 1990ies, which have the potential to support quantitative and qualitative analysis in film studies. However, software solutions for the scholarly study of film that utilise video analysis algorithms are still relatively rare. In this paper, we aim to provide an overview of related work in this field, review current developments in computer vision, compare machine and human performance for some visual recognition tasks, and outline the requirements for video analysis software that would optimally support scholars of film studies.
Electronegativity: The density functional viewpoint

Precision is given to the concept of electronegativity. It is the negative of the chemical potential (the Lagrange multiplier for the normalization constraint) in the Hohenberg–Kohn density functional theory of the ground state: χ=−μ=−(∂E/∂N)v. Electronegativity is constant throughout an atom or molecule, and constant from orbital to orbital within an atom or molecule. Definitions are given of the concepts of an atom in a molecule and of a valence state of an atom in a molecule, and it is shown how valence‐state electronegativity differences drive charge transfers on molecule formation. An equation of Gibbs–Duhem type is given for the change of electronegativity from one situation to another, and some discussion is given of certain relations among energy components discovered by Fraga.
Gate Capacitance‐Dependent Field‐Effect Mobility in Solution‐Processed Oxide Semiconductor Thin‐Film Transistors

Solution‐processed oxide semiconductors (OSs) used as channel layer have been presented as a solution to the demand for flexible, cheap, and transparent thin‐film transistors (TFTs). In order to produce high‐performance and long‐sustainable portable devices with the solution‐processed OS TFTs, the low‐operational voltage driving current is a key issue. Experimentally, increasing the gate‐insulator capacitances by high‐k dielectrics in the OS TFTs has significantly improved the field‐effect mobility of the OS TFTs. But, methodical examinations of how the field‐effect mobility depends on gate capacitance have not been presented yet. Here, a systematic analysis of the field‐effect mobility on the gate capacitances in the solution‐processed OS TFTs is presented, where the multiple‐trapping‐and‐release and hopping percolation mechanism are used to describe the electrical conductivity of the nanocrystalline and amorphous OSs, respectively. An intuitive single‐piece expression showing how the field‐effect mobility depends on gate capacitance is developed based on the aforementioned mechanisms. The field‐effect mobility, depending on the gate capacitances, of the fabricated ZnO and ZnSnO TFTs clearly follows the theoretical prediction. In addition, the way in which the gate insulator properties (e.g., gate capacitance or dielectric constant) affect the field‐effect mobility maximum in the nanocrystalline ZnO and amorphous ZnSnO TFTs are investigated.
A 2-D Organic–Inorganic Hybrid Copper-Yttrium Heterometallic Monovacant Keggin Phosphotungstate Derivative: [Cu(dap)2]5.5[Y(α-PW11O39)2]·4H2O

A novel 2-D organic–inorganic hybrid copper-yttrium heterometallic monovacant Keggin phosphotungstate derivative [Cu(dap)2]5.5[Y(α-PW11O39)2]·4H2O (1) (dap = 1,2-diaminopropane) has been hydrothermally synthesized by reaction of Na9[A-α-PW9O34]·7H2O, CuCl2·2H2O, YCl3 and dap and structurally characterized by elemental analysis, IR spectrum, UV spectrum, powder X-ray diffraction (PXRD), and X-ray single-crystal diffraction. 1 illustrates an interesting 2-D copper-yttrium heterometallic sheet architecture with a 5-connected topology built by 1:2-type [Y(α-PW11O39)2]11− subunits and [Cu(dap)2]2+ bridges. To our knowledge, 1 represents a rare 2-D organic–inorganic hybrid Keggin phosphotungstate-based transition metal and rare-earth heterometallic derivative. The photocatalytic measurements show that 1 can inhibit the photodegradation of rhodamine-B.
Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons

The similarity transformed equation-of-motion coupled-cluster (STEOM-CC) method is presented in full detail. Comparisons are made with the Fock space coupled-cluster (FSCC) method and the equation-of-motion coupled-cluster (EOM-CC) scheme. The role of implicit triple excitations and, relatedly, charge transfer separability in STEOM is discussed. The dependence on the choice of active space in STEOM is addressed and criteria for the selection of the active space are given. The evaluation of properties within STEOM is outlined and a large number of illustrative examples of STEOM is presented.
Transport of Imidacloprid in Soils: Miscible Displacement Experiments

Knowledge of the transport patterns of chemicals applied to soils is essential for environmental assessment of potential leaching to groundwater supplies. In this study, the mobility of imidacloprid applied to soils with different properties was investigated. The approach used was that of a modified miscible displacement, where soil columns under soil water-saturated conditions and constant flow velocity were maintained. The extent of imidacloprid mobility was measured by quantifying the concentration in the effluent solution versus time. All measured breakthrough curves (BTC) exhibited extensive asymmetry with sharp adsorption fronts. Imidacloprid exhibited high mobility in a silty kaolinitic (Mahan) soil, where 69% of the applied chemical was recovered in the effluent solution. In contrast, somewhat limited mobility was observed for Mhoon soil, with a high organic matter content (3.5%), where only 27% of applied imidacloprid was recovered. All BTC exhibited extensive tailing during leaching of the applied imidacloprid, indicative of the time-dependent release reactions of the adsorbed imidacloprid. A decrease in effluent concentration in response to flow interruption was also observed, which indicated kinetic retention of imidacloprid in all soils examined. The use of a linear model (CXTFIT) to simulate measured BTC showed good overall predictions. Concentration maxima and peak arrival time were well predicted by CXTFIT, but the slow release of imidacloprid during leaching was underestimated. The use of a multireaction and transport model proved successful in describing imidacloprid BTC for all soils. Based on measured BTC results, imidacloprid may be considered as a moderately mobile chemical that is susceptible to leaching from the soil profile.
Zirconium Dioxide Thin Films Characterized by XPS

In this work we use x-ray photoelectron spectroscopy (XPS) to analyze the principal core levels of a ZrO2 thin film deposited on glass using Zr(OPri)3(dpm) (OPri=isopropoxy; hdpm=2,2,6,6-tetramethyl-3,5-heptanedione) as precursor. Besides the general survey, charge corrected binding energies for the Zr 3d5/2, Zr 3d3/2, O 1s, and C 1s photoelectrons are reported. Deconvolution of the O 1s signal reveals the presence of –OH groups and adsorbed water, whose presence can be related to the air exposure of the film between its preparation and XPS analysis.
Selenium Fertilization of Guinea Grass Pastures in Central Puerto Rico

Abstract Five levels of selenium (Se) fertilization and a control were tested in a Guinea grass paddock. All treatments followed the same trend: an initial Se concentration increment up to week 6 and then a slow decrease toward initial values or less. No significant differences among treatments or interactions were observed during the 22 weeks of the experiment. The study suggests that soils and forages adequate in Se will not respond to subsequent levels of Se fertilization as Selcote Ultra. *Florida Agricultural Experiment Station Journal Series No. R‐10452.
Therapeutic strategies of different HPV status in Head and Neck Squamous Cell Carcinoma

Head and neck squamous cell carcinoma (HNSCC) is the 9th most common malignant tumor in the world. Based on the etiology, HNSCC has two main subtypes: human papillomavirus (HPV) -related and HPV-unrelated. HPV-positive HNSCC is more sensitive to treatment with favorable survival. Due to the different biological behaviors, individual therapy is necessary and urgently required to deduce the therapeutic intensity of HPV-positive disease and look for a more effective and toxicity-acceptable regimen for HPV-negative disease. EGFR amplification and PI3K/AKT/mTOR pathway aberrant activation are quite common in HPV-positive HNSCC. Besides, HPV infection alters immune cell infiltrating in HNSCC and encompasses a diverse and heterogeneous landscape with more immune infiltration. On the other hand, the chance of HPV-negative cancers harboring mutation on the P53 gene is significantly higher than that of HPV-positive disease. This review focuses on the updated preclinical and clinical data of HPV-positive and HPV-negative HNSCC and discusses the therapeutic strategies of different HPV status in HNSCC.
Households’ Demand for Pap Flour in Ibadan Metropolis

The needs to create time utility and present pap in a form that will enhance its preservation have led to pap flour gradually becoming an important processed agricultural product. The study showed that among respondents, the awareness on pap flour was high. Majority of the respondents (62.0%) was female while the average age was 33.7years. The respondents’ average monthly income was ₦137, 753 and 0.53% of the monthly income was spent on pap flour. The average amount spent on pap flour per month was ₦553.50. The study revealed that occupation influenced respondents’ perception on pap flour. Household size, monthly income, years of schooling and marital status were factors that influenced consumers’ choice of pap flour. The probability of resident consuming pap flour in the study area was 0.83. Market segmentation based on income earnings will enhance the sales revenue.
Influence of communication, collaboration, and decision-making skills on the efficacy of nurses in conducting neonatal resuscitation

Received Jul 18, 2020 Revised Jan 21, 2021 Accepted Mar 5, 2021 This study aimed to analyze the influence of communication skill, collaboration, and decision-making upon self-efficacy upon Indonesia nurse’s self-efficacy in performing neonatal resuscitation. The research employed analytical descriptive design with cross-sectional study approach. The data were collected using questionnaire. Moreover, the research was carried out in Malang City area with the total of 75 nurses employed at neonatal intensive care unit (NICU) room and perinatology unit. Meanwhile, for data analysis, product moment correlation and linear regression were employed. The presence of influence of communication skill, collaboration, and decision-making upon nurse’s self-efficacy in performing neonatal resuscitation can be an inestimable reference for the need of objective evaluation on nurse’s capability and reflection on skills they have acquired. Communication skills p=0.000 (<0.05), collaboration p=0.000 (<0.05), preparation of results p=0.000 (<0.05) with the effectiveness of nurses in the management of neonatal resuscitation. In addition, multiple linear regression showed communication skills p=0.000, B=0.253 was the most dominant factor influencing nurses' selfefficacy when handling neonatal resuscitation in hospitals in Malang City of Indonesia. This study found an association related to communication skill, collaboration, and nurse decision making. Communication skills are the dominant factor influencing the efficacy of nurses in performing neonatal resuscitation care.
Understanding Overparameterization in Generative Adversarial Networks

A broad class of unsupervised deep learning methods such as Generative Adversarial Networks (GANs) involve training of overparameterized models where the number of parameters of the model exceeds a certain threshold. A large body of work in supervised learning have shown the importance of model overparameterization in the convergence of the gradient descent (GD) to globally optimal solutions. In contrast, the unsupervised setting and GANs in particular involve non-convex concave mini-max optimization problems that are often trained using Gradient Descent/Ascent (GDA). The role and benefits of model overparameterization in the convergence of GDA to a global saddle point in non-convex concave problems is far less understood. In this work, we present a comprehensive analysis of the importance of model overparameterization in GANs both theoretically and empirically. We theoretically show that in an overparameterized GAN model with a $1$-layer neural network generator and a linear discriminator, GDA converges to a global saddle point of the underlying non-convex concave min-max problem. To the best of our knowledge, this is the first result for global convergence of GDA in such settings. Our theory is based on a more general result that holds for a broader class of nonlinear generators and discriminators that obey certain assumptions (including deeper generators and random feature discriminators). We also empirically study the role of model overparameterization in GANs using several large-scale experiments on CIFAR-10 and Celeb-A datasets. Our experiments show that overparameterization improves the quality of generated samples across various model architectures and datasets. Remarkably, we observe that overparameterization leads to faster and more stable convergence behavior of GDA across the board.
Risk Factors, Seroprevalence and Infectivity of Hepatitis B Virus amongst Children Resident in Orphanages in a Developing Country

Background: Hepatitis B infection (HBV) remains a significant clinical and public health problem and is hyperendemic in Nigeria. In highly endemic regions, infections spread from mother to child, or by horizontal transmission, with the burden of infection being highest in under-fives. Nigeria has a large number of orphans and vulnerable children, with reports of high seroprevalence of HBV infection in orphanages. There is no such report from our locality, despite having a high number of orphans. Therefore, this study was set to determine the risk factors, seroprevalence and infectivity of HBV in children resident in orphanages in Owerri, Southeast Nigeria. Methods: A total number of 280 children below 18 years were proportionately recruited by multi-stage sampling. They comprised 140 children (73 females and 67 males) who lived in 10 orphanages and 140 sex and age-matched controls that lived in their family homes. Two milliliter (2 ml) of venous blood specimen was obtained from each child and the plasma tested for HBsAg and HBeAg using commercial quantitative and qualitatitive HBsAg ELISA kit and HBV-5 parameter rapid test kit respectively. Chi-squared test and odds ratio were used for data analysis; P-value < 0.05 was considered significant. Results: Seroprevalence of HBsAg in children in orphanages was 20.0% versus 10.7% in the controls (P = 0.031). Infectivity of HBV was higher in subjects (42.9%) than controls (20.0%) (P = 0.245). Sharing of towel (P = 0.014) sharing of barbing devices (P = 0.001) and circumcision (P = 0.005) were the significant risk factors for Hepatitis B virus infection in the orphanages; there was none in the controls. Male gender was significant for acquisition of HBV infection in the control group. Vaccination rate was lower in the subjects than the controls (P = 0.002). Conclusion: There is high seroprevalence and infectivity of HBV in orphanages in Owerri, Southeast Nigeria. Sharing of towel and barbing devices and circumcision were the significant risk factors for HBV infection. There is need for continuous health education on Hepatitis B infection, improved standard of living and immunization coverage in orphanages in developing countries.
Racial-Ethnic Differences in Punitiveness Among American Adults

It is believed that the punitive values of the United States have had a direct positive correlation with the mass incarceration rates experienced in the United States. Many studies have attempted to understand variation in punitiveness across social groups, and have found that there are consistent racial differences that exist. Past research mostly focused on differences between Black and White individuals, but none has included the analysis of those of Hispanic origin. Using pooled data from the 2014, 2016, and 2018 General Social Survey (N = 7,753), the current project examines racial/ethnic differences in punitiveness for White, Black, and Hispanic individuals controlling for highest level of education level and their gender, which has been measured by biological sex. Punitiveness has been measured by opinion on use of the death penalty and harshness of courts. It has been found that overall White individuals are more likely than Black and Hispanic individuals to be punitive, and these racial differences exist when controlling for education and gender. One exception is that Hispanic individuals with higher education are more likely to be punitive than their White counterparts. These results warrant further research into the effect higher education has on Hispanic individuals.