Miracle-dz/UniFAR-FTUs huggingface dataset:
THE IMPACT OF DIALOGUE JOURNAL WRITING ON THE WRITING SKILLS OF JORDANIAN EFL LEARNERS AND THEIR ATTITUDES TOWARDS WRITING

Purpose of the study: The purpose of this study is to investigate the impact of dialogue journal writing (DJW) on learning the vocabulary, organization, and grammar of English. It also explores the impact of DJW on the attitudes of students towards writing in English. Methodology: The sample of the study consists of 50 undergraduate Jordanian students divided equally into an experimental and control group. The control group was given traditional writing instruction while the experimental group was taught using dialogue journal writing. The study used a pre and post-test to investigate the impact of DJW on writing skills, while a questionnaire was used to unveil the attitudes of students to writing. Main Findings: The results of the research revealed that the vocabulary, organization, and grammar learned by the experimental group were significantly improved (p<0.05) compared to the control group. The study also found out that students taught using DJW developed positive attitudes towards writing better than students exposed only to conventional teaching methods of writing. Applications of this study: The present study is beneficial in providing teachers of English as a foreign language with new methods to teach writing skills. Novelty/Originality of this study: The current study is significant since the impact of dialogue journals on writing is under-researched in the Jordanian context.
Computing Redox Potentials in Solution: Density Functional Theory as A Tool for Rational Design of Redox Agents

High-level density functional theory in combination with a continuum solvation model was employed to compute standard redox potentials in solution phase for three different classes of electrochemically active molecules: small organic molecules, metallocenes, and M(bpy)3x (M = Fe, Ru, Os; x = +3, +2, +1, 0, −1). Excellent agreement with experimentally determined redox potentials is found with an average deviation of approximately 150 mV when four different solvents commonly in use for electrochemical measurements were included. To obtain quantitative agreement between theory and experiment, the use of a large basis set is crucial especially when the redox couple includes anionic species. Whereas the addition of diffuse functions improved the results notably, vibrational zero-point-energy corrections and addition of entropy effects are less important. The computational protocol for computing redox potentials in solution, which has been benchmarked, is a powerful and novel tool that will allow a molecular-l.
Variational Inference for Text Generation: Improving the Posterior

Learning useful representations of data is a crucial task in machine learning with wide ranging applications. In this thesis we explore improving representations of models based on variational inference by improving the posterior. We explore two approaches towards this goal: 1) auxiliary losses to regularize the latent space and enforcing desired properties and 2) normalizing flows to develop more flexible posteriors to be used during variational inference. We propose a proximity based loss function that helps in disentanglement by regularizing the latent space based on similarity according to a criterion. We evaluate our model on a task of disentangling semantics and syntax in sentences and empirically show that our model successfully manages to learn independent subspaces that learn semantics and syntax respectively. We compare our model to existing approaches using automated metrics and human evaluation to show that our model is competitive. We also explore the effectiveness of normalizing flows for representation learning and generative modeling. We perform experiments that empirically show that variational inference with normalizing flows beats standard approaches based on simple posteriors across various metrics in text generation and language modeling. We also propose a variant of planar normalizing flows called block planar normalizing flows for use in disentanglement tasks. We perform ablation experiments to empirically show that our proposed block planar flows help in improving disentanglement.
Ecological risk assessment of elemental pollution in sediment from Tunku Abdul Rahman National Park, Sabah

Eleven (11) surface sediment samples were collected from Tunku Abdul Rahman National Park, Sabah. The neutron activation analysis (NAA) and inductively coupled plasma-mass spectrometry (ICP-MS) techniques were applied for the determinations metal contents and their distributions in sediment samples. The results shown that Arsenic (As) concentrations are enriched at all sampling stations except for station TAR 09, with enrichment factor (EF) values ranged from 1.1 to 7.2. The elements such as Cd, Cr, Sb and U showed enrichment at a few stations and other elements (Cr, Cu, Pb, Th, Zn) shown as background levels in all stations. Degrees of contamination in this study were calculated base on concentrations of six elements (As, Cd, Cr, Cu, Pb, and Zn). TAR 11 station can be categorized as very high degree of contamination with degree of contamination value of 43.2. TAR 07 station can be categorized as a considerable degree of contamination (contamination value of 16.9). Six stations (TAR 01, 03, 04, 05, 06, 08, 10) showed moderate degree of contamination, with contamination values ranging from 8.0 to 16.0. TAR 02 and TAR 09 stations showed low degree of contaminations (< 8.0). TAR 11 showed very high ecological risk index (RI) with RI value is 916. TAR 07 and TAR 10 showed moderate ecological risk index with RI value 263 and 213, respectively. Other stations showed low ecological risk with RI values ranging from 42.3 to 117 (< 150). Very high ecological risk index could give an adverse effect to the benthic organism. The data obtained from the enrichment factor, degree of contamination and ecological risk index provided vital information, which can be used for future comparison. Information from the present study will be useful to the relevant government agencies and authorities in preparing preventive action to control direct discharge of heavy metals from industries, agro-base activities and domestic waste to the rivers and the sea.
Biomolecule-Assisted Synthesis of In(OH)3 Hollow Spherical Nanostructures Constructed with Well-Aligned Nanocubes and Their Conversion into C-In2O3

In this work, we demonstrate that indium hydroxide (In(OH)3) nanospheres with hollow interior, whose shells are constructed of oriented-attachment nanocubes, have been fabricated via a dl-asparagine-assisted synthesis route without any template. NH3 and dl-aspartic acid from the hydrolysis of dl-asparagine act as the OH− provider and the capping molecule, respectively. A detailed mechanism, involving dissolution−recrystallization and oriented aggregation processes, has been investigated on the basis of time-dependent experimental results. By annealing In(OH)3 precursors at 400 °C in air, cubic-phase indium sesquioxide (C−In2O3) nanocrystals, which inherit the morphology of their precursors, are also prepared.
Protein adsorption mechanisms on solid surfaces: lysozyme-on-mica

A methodology for discovering the mechanisms and dynamics of protein clustering on solid surfaces is reviewed and complemented by atomistic molecular dynamics (MD) simulations. In situ atomic force microscopy images of the early stages of protein film formation are quantitatively compared with Monte Carlo simulations, using cluster statistics to differentiate various growth models. We have studied lysozyme adsorption on mica as a model system, finding that all surface-supported clusters are mobile with diffusion constant inversely related to cluster size. Furthermore, our results suggest that protein monomers diffusing to the surface from solution only adhere to the bare surface with a finite probability. Fully atomistic MD simulations reveal that the lysozyme does indeed have a preferred orientation for binding to the surface, so that proteins with incorrect orientations move away from the surface rather than towards it. Agreement with experimental studies in the literature for the residues involved in the surface adsorption is found.
Regional Features in Evaluating Nutrition and Health Conditions of Children and Adolescents

BACKGROUND: The frequency of breakfast consumption as a determinant of fruit and vegetable intake among children and adolescents has been poorly investigated. AIM: In this article, we examine whether irregular food intake is associated with fruit and vegetable intake among children and adolescents. METHODS: We use a separate analysis, with special attention being paid to the potentially changing effects of gender and age. The methodology of health behavior in school-aged children is used. RESULTS: The obtained results show that irregular breakfast consumption among children and adolescents is associated with a low frequency of fruit and vegetable intake and that gender and age can play a decisive role. Various associations observed in different age and gender groups indicate the importance of a separate analysis of fruit and vegetable intake and types of food. CONCLUSION: The results emphasize the importance of encouraging regular food intake while trying to increase fruit and vegetable intake among children and adolescents.
The Comparison Between Water Models In Predicting Water Thermal And Dynamic Properties From Molecular Dynamics

This molecular dynamic simulation study is made using Lammps software to compare outcome results of thermal properties of most known five rigid water models. The water has received special attention because it is commonly used base-fluid in heat transfer application. This study focuses on computing water thermal conductivity, dynamic viscosity, density, specific isobaric heat capacity, specific isochoric heat capacity. A significant outcome of this study is to compare results and suggest an optimal model which can be used to evaluate water thermal properties. Lammps, a powerful molecular dynamics software, is used to do the molecular dynamics calculation in this study. Atomic initial position, intermolecular forces, etc., are prepared using Moltemplate. Atomistic model types of water used in this study are the simple point charge (SPC) model, The extended simple point charge (SPC/E) model, The TIP-type models (TIP3PEW, TIP4PEW andTIP4-2005). This study investigates efficiency of five water types in predicting thermal properties at four temperatures. A comparison between these five models is made by calculating thermal conductivity, viscosity, density, specific isochoric heat capacity, and specific isobaric heat capacity. Results were verified against reference thermal properties at 288, 300, 312 and 324 K. Results of this research indicate that values of thermal properties were very accurate and close to known values, that could make this study very useful in helping researchers to pick up the right water model when calculating any of the studied properties.
Analisis Perilaku Konsumen Wisatawan Era Pandemi Covid-19 (Studi Kasus Pariwisata di Nusa Tenggara Barat)

This study aims to analyze the behavior of tourist consumers in the era of the Covid-19 pandemic, by taking the case of West Nusa Tenggara Tourism, as one of Indonesia's ten priority tourist destinations. Fears of exposure and the imposition of large-scale social restrictions have made tourists, both domestic and foreign, cancel their trips. The economic downturn in the midst of the threat of the spread of the pandemic, which is not yet known when it will end, is a challenge for the community to adapt to existing conditions. Now, economic activities are re-opening by implementing health protocols to prevent and control the spread of the virus. Restoring the trust of tourists is very much needed, amidst the anxiety and need for travel. This research was conducted using a qualitative approach to analyze consumer behavior, identify behaviors that can change the tourism industry to understand its needs. The process of recording the behavior patterns of tourists as consumers during the Covid-19 pandemic was carried out by using content analysis sourced from several relevant documents. Through the analysis of tourist consumer behavior in the Covid-19 pandemic era, the results show that having a good understanding and sensitivity to the motivation of tourist consumers will make it easier for producers to identify tourist needs as indicated by purchasing decisions as a reflection of consumer behavior.
Solubility of solids in supercritical gases

A lattice gas model is used to discuss the solubility of a solid in a supercritical gas. The model isotherms have qualitatively the correct form over essentially the entire range of gas densities and quantitative agreement is good provided the critical temperature is not approched too closely. The effects of the model parameters on the shape of the isotherms are simply interpreted.
Novel noise reduction method based on improved empirical wavelet transform and kurtosis for partial discharge signal of high‐voltage cables

Partial discharge (PD) detection is useful to the online monitoring of high-voltage cables, which are affected by periodic narrowband interference and random white noise. To suppress the influence of complex noise signals on the measurement of PD signals, a novel noise reduction method based on improved empirical wavelet transform (IEWT) and kurtosis for the PD signals of high-voltage cables is proposed. First, empirical wavelet function (EWF) signals arranged in order of frequency are obtained by decomposing the signal with IEWT. Then, the kurtosis criterion is introduced, and the reconstructed inherent modal function is adaptively screened. Finally, the improved threshold function is used in eliminating residual noise information in the reconstructed signal. Compared with the noise reduction methods based on EWT and EMD, the proposed noise reduction method can effectively suppress noise information in PD and has good practicability.
Calculation of the rotation–vibration states of water up to dissociation

We present rotation–vibrational levels of water up to the dissociation limit using two recent, global potential energy surfaces. These calculations are performed using our recently developed discrete variable representation (DVR) based parallel code (PDVR3D), which runs on computers with massively parallel processors. Variational tests on the convergence of these results show convergence within 0.5 cm−1. Analysis of the highest wave functions for the vibrational energy levels are also shown. Tests on previous calculations performed using conventional computers suggest that convergence for high-lying rotationally excited states is not as good as claimed.
Dynamics of Water Adsorption onto a Calcite Surface as a Function of Relative Humidity

We have developed a molecular dynamics scheme in order to understand the dynamics of water adsorption on calcite surfaces as a function of relative humidity. In contrast to previous studies where either a monolayer or bulk water was assumed to cover the surface, we observe the formation of two to three prominent layers of water depending on the relative humidity. Due to the fact that these simulations are at room temperature, the distribution of water molecules on the surface is inhomogeneous and nonuniform. Our simulation results agree well with recent grazing incidence X-ray diffraction studies. The free energy of adsorption of a single water molecule onto the bare calcite (1014) surface is predicted to be −10.6 kcal/mol at room temperature while the enthalpy for the same process is −21.3 kcal/mol. The time scale for the bare calcite surface to become in dynamic equilibrium with water vapor at 100% relative humidity is determined to be close to 6 ns, and the adsorption follows a BET (Brunauer−Emmet−Tel.
Vanewrightia gen. nov.—A Highly Variable Taxon of Neotropical Ctenuchina (Lepidoptera: Erebidae: Arctiinae: Arctiini) Revealed by Behavioral Traits

Abstract A series of different-looking tiger moths was collected at pyrrolizidine alkaloid baits in the daytime in Peru. They proved to be variants of a new genus, Vanewrightia gen. nov., and a new species, Vanewrightia kiesela sp. nov., both described here.This species presents a striking example of extensive intraspecific variation within a population. Its discovery demonstrates the importance of sampling moths by means other than collecting with light, of studying patterns of wing undersides, and of the value of barcoding. Specimens found in collections considered here potentially to represent further species of the new genus are documented and discussed; Vanewrightia subflavescens (Kaye, 1911) comb. nov., and Vanewrightia patawaensis (Cerda, 2017) comb. nov. are established; we propose Epidesma parva (Rothschild, 1912) as a junior synonym of E. aurimacula (Schaus, 1905). The newly recognized intraspecific variation greatly challenges delimitation of morphospecies and uncovers uncertainties in the taxonomy of Epidesma Hübner, [1819]. The occurrence of an oblique forewing band in many Lepidoptera and the stunning similarity in overall appearance of variants of Vanewrightia with unrelated taxa, in particular notodontid moths (Josiini) and Chamaelimnas C. & R. Felder, [1885] butterflies (Riodinidae), are discussed in the context of mimicry and crypsis, and some perspectives for further research are suggested.
Droplet Structure in a Water-in-CO2 Microemulsion

High-pressure small-angle neutron-scattering measurements show that a dichain hydrocarbon-fluorocarbon surfactant ((C 7 H 15 )(C 7 F 15 )CHSO 4 - Na + ) stabilizes spherical droplets, with mean water core radius around 25 A, in a water-in-CO 2 microemulsion (temperature = 25 °C, pressure = 500 bar). At lower pressures droplet clustering is observed. Our structural work on this system builds on initial phase stability studies by Johnston et al. (Langmuir 1994, 10, 3536).
Impact of foliar applied Ethrel, potassic compounds and thiourea on flowering and fruiting attributes of Litchi (Litchi chinensis Sonn.)

Plant growth regulators and nutrients play a significant role in altering plant growth subsequently yield and quality. The impact of foliar application of ethrel, potassic compounds [Potassium nitrate (KNO3), Potassium dihydrogen phosphate (KH2PO4) and Dipotassium hydrogen phosphate (K2HPO4)] and thiourea on flowering and fruiting characteristics of Litchi (Litchi chinensis Sonn.) was explored in an experiment based on a randomized block design with thirteen treatments and three replication at HRC, GBPUA&T Pantnagar (India). The treatments included T1 [ethrel (400 ppm)], T2 [KNO3 (1%)], T3 [K2HPO4 (1%)], T4 [KH2PO4 (1%)], T5 [thiourea (1%)], T6 [K2HPO4 (2%)], T7 [KH2PO4 (2%)], T8 [K2HPO4 (1%) + KNO3 (1%)], T9 [KH2PO4 (1%) + KNO3 (1%], T10 [K2HPO4 (1%) + thiourea (0.5%)], T11 [KH2PO4 (1%) + thiourea (0.5%)], T12 [KNO3 (1%) + thiourea (0.5%)] and T13 as control. The foliar spray of these chemicals was done thrice from end of September to November at 20 days interval. Early panicle initiation, advancement in flowering (3 days), maximum number of female (324.63) and total flowers (836.39), highest fruit set per panicle (59.49), minimum fruit drop (75.90%) and highest yield (43. 82 kg/tree) was observed in treatment T2 [KNO3 (1%)] whereas, highest fruit weight (20.99g) and aril weight (17.30g) was observed in T1 [ethrel (400 ppm)] treatment. Maximum flowering intensity and highest pulp recovery was reported in T9 [KH2PO4 (1%) + KNO3 (1%] and T4 [KH2PO4 (1%)] treatments, respectively.
Highly Selective and Sensitive Determination of Dopamine in the Presence of Ascorbic Acid Using a 3D Graphene Foam Electrode

A three-dimensional (3D), macroporous and highly conductive graphene foam (GF) was synthesized by atmospheric pressure chemical vapor deposition (CVD). The morphologies of the GF were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The structure of the GF was investigated by X-ray diffraction (XRD) and Raman spectroscopy. The GF prepared by CVD was then transferred onto ITO coated glass, acting as an electrode, to detect dopamine (DA) and ascorbic acid (AA) by electrochemical methods. The results show that the GF exhibits high selectivity for the detection of DA and AA. It also shows high sensitivity for detection of DA with the lower detection limits of ∼2.0 nM in the linear response up to ∼10 µM. This demonstrates the free-standing GF provides a promising platform as a 3D biosensing material.
Model solvent systems for QSAR. Part 3. An LSER analysis of the ‘critical quartet.’ New light on hydrogen bond strength and directionality

An LSER analysis of log P for the ‘critical quartet’ of solvent systems has been carried out using, as initial variables, VI for volume, µ2 for dipolarity, and proton donor ∑α and proton acceptor βf scales based on log Kα and log Kβ respectively. A common data matrix and an unprecedented range of functionalities have been employed. By making the analysis stepwise, starting with the simplest solutes and adding more in order of increasing complexity, we have been able to identify hitherto unrecognised variables and ‘fine-tune’ established ones in such a way as to derive self-consistent proton donor and acceptor values applicable to the whole range of solvent systems. By this ‘LSER in reverse’ we have established, inter alia, the following new facts: (a)βf possesses a constant effective zero whereas that for ∑α is solvent-sensitive; (b) a new term nβf is required for acceptor solutes with two or more available lone pairs; (c) when neither lone pair is available, the acceptor strength of carbonyl is sharply reduced; (d) a second term specific to NH2 is required for ∑α in alkane and chloroform; (e) there is mutual shielding of XH and one lone pair in structures such as CO2H and CONH2; (f) ureas and other structures with parallel NH functions are proton donors of exceptional strength; (g) the acceptor ability of dipolar bases (PO and SO) varies with the solvent system.Cooperativity in solute–solvent bonding exists but takes complex forms, and does not appear strong enough to account e.g. for the hydrogen bonding properties of bulk water and the alcohols, for which mass action appears a likelier explanation. We present evidence (see Appendix) that mass action will most probably explain certain well known anomalies in the apparent proton acceptor ability of water as revealed by partitioning studies.The present results throw new light on previously anomalous octanol–water log P values and can predict f-values for other solvent systems. Most importantly, they provide new information not only on the strength of hydrogen bonding for more than 60 functional groups, but also on its directionality: we are able to predict, with reasonable certainty, which XH groups and lone pairs are actually available for bonding. This information is applicable to water, other solvents, and by implication to the biophase, so should find direct and immediate use in rationalising and quantifying drug–receptor interactions.
Kinetics and Equilibrium of Barium and Strontium Sulfate Formation in Marcellus Shale Flowback Water

AbstractFlowback water from natural gas extraction in Marcellus Shale contains very high concentrations of inorganic salts and organic chemicals. Potential reuse of this water in subsequent hydraulic-fracturing operations may be limited by high concentrations of divalent cations (e.g., Ba, Sr, and Ca). Kinetics of barite and celestite precipitation in flowback waters from different well sites was evaluated in this study. Ba reacted rapidly with sulfate and reached equilibrium within 30 min, whereas Sr reacted slowly and took days to reach equilibrium. Equilibrium concentrations of Ba and Sr predicted by thermodynamics models were compared with experimental results. Activity corrections based on the Pitzer equation provided the best agreement with experimental data for both Ba and Sr. Comparison of barite and celestite precipitation kinetics in actual and synthetic flowback water revealed that there was no observable impact of organics and other minor components in actual flowback water on barite precipita.