Consistent Basis Research Articles

Dimensionally consistent Gaussian basis set bridging bulk solids and nanomaterials

Dimensionally consistent Gaussian basis set bridging bulk solids and nanomaterials

Effect of binasal occlusion in children with esotropia.

Esotropia is a common pediatric ophthalmologic disorder that, if left untreated, can have a significant impact on the binocular visual function and appearance of the child. Binasal occlusion (BNO) is a non-surgical measure to alleviate the impact of esotropia. But there is no consistent theoretical basis for BNO and its therapeutic efficacy has been controversial. This study aimed to investigate the effect of BNO in the treatment of children with esotropia. We performed a retrospective review of children with multiple types of esotropia who still had symptoms of obvious esotropia or the presence of visual diplopia after full refraction correction at the Affiliated Hospital of Yunnan University Hospital from October 2022 to September 2023. All the children were given BNO. Vision function and strabismic degree were examined before and after 3 months of BNO. The data were analyzed by Wilcoxon signed-rank test and Fisher's exact test. The mean value of the strabismus before BNO was significantly different from the mean value of the strabismus after BNO for 3 months, including near strabismus [25.22±18.25 vs. 9.63±11.92 prism diopters (PD); P<0.001], and distance strabismus (23.65±17.45 vs. 9.27±12.47 PD; P<0.001). Twenty-six cases were markedly corrected, 6 cases were effectively corrected, 9 cases were invalid. There was no significant difference in the efficacy of BNO between the various types of esotropia (F=8.333; P=0.15). Fifteen children had diplopia before, and 14 children reported the disappearance of diplopia after 3 months, with an effective rate of 93.33%. BNO is an effective non-surgical treatment measure, which can effectively reduce the strabismus degree of many types of esotropia and improve the visual double-image situation, providing a good basis for the establishment of the subsequent visual function.

Field versus laboratory measurements of PFAS sorption by soils and sediments

Sorption by soils and sediments is an important process that influences the distribution, transport, and fate of per and polyfluoroalkyl substances (PFAS) in the environment. Many laboratory studies have been conducted to quantify magnitudes of PFAS sorption as a function of the properties of the PFAS, solutions, and porous media. A critical question is how representative are laboratory-measured sorption magnitudes for field applications. To address this question, log Koc data were compiled from the literature for a range of PFAS of different chain lengths and functional groups. The aggregated field-based data consisted of two types, in-situ measurements comprising paired soil/sediment and water samples and ex-situ measurements obtained from laboratory desorption experiments employing field-contaminated media. These two sets of field-based measurements were compared to a comprehensive data set of standard laboratory batch-type measurements. The compiled data sets represent an extremely wide range of soil and sediment properties. One important novel outcome is the observation that the enhanced sorption of short-chain PFAS observed in several prior laboratory studies is also observed for the field data. This differential enhanced sorption should be accounted for in site investigations and modeling studies. Another relevant outcome is the observation of consistency between measurements obtained with standard batch adsorption experiments and those from desorption studies employing either field-contaminated or artificially-contaminated media. The mean log Koc values determined for the in-situ measured field data were generally larger than the mean laboratory-determined values, particularly for the short-chain PFAS. Notably, however, values for subsets of the laboratory data representing measurements for lower aqueous concentrations or for soils with low organic-carbon contents (<1 %) compared well to the in-situ field data. Measurements compiled for anionic-polyfluoroalkyl, neutral, and cationic PFAS compared well to those for PFCAs and PFSAs. Overall, the results indicate that the laboratory measurements of PFAS sorption were generally representative of the field-derived magnitudes when compared on a consistent basis.

Megjegyzések a nyomozás körüli „időutazás” régi és újabb állomásaihoz

Aim: This study compares the centuries old domestic lessons of the regulations of investigation with the goals and implementation of the current rulings. It examines to what extent the initial experiences of the new rulings have met the expectations. Methodology: The preparatory character of the investigation, that often determines the subsequent procedure, requires a new approach both to legislation and to jurisprudence to strengthen the concord of practicality, effectiveness and legality. Findings: Legislation of the preparatory procedure establishing the investigation, as well as the differentiation between the detection and examination phase were carried out with this purpose. The distinctions were made on consistent theoretical basis, with clear delineation of responsibilities, nevertheless it did not result a problem-free operation in practice. This had an impact on the tools, methods and intensity of the prosecution’s supervisory and control powers. Value: The study concludes that strengthening the independence of detection phase shall not exclude, but indeed justify a more active role of the prosecution service already in this phase of the proceedings. At the same time, creating a less rigid boundary between these two phases of the investigation could facilitate the possibility for a more differentiated prosecution of the offenders, and a more realistic need thereof.

Ground and Excited Electronic Structure Analysis of FeH with Correlated Wave Function Theory and Density Functional Approximations.

FeH is one of the most challenging diatomic molecules to study under electronic structure theory. Here, we have successfully studied 22 electronic states of FeH using ab initio multireference configuration interaction (MRCI), Davidson-corrected MRCI (MRCI+Q), and coupled cluster singles, doubles, and perturbative triples [CCSD(T)] levels of theory. We report their potential energy curves (PECs), excitation energies, dissociation energies, equilibrium electronic configurations, and a series of spectroscopic constants with the use of augmented triple-ζ, quadruple-ζ, and quintuple-ζ quality correlation consistent basis sets. The scalar relativistic effects and active space and core electron correlation contribution on the properties of FeH are also explored. The use of a large CASSCF active space that includes 4s, 4p, 3d, and 4d orbitals of Fe and the 1s of H is critical for producing accurate full PECs with proper dissociations and predicting the exact order of the electronic states. Our findings are in harmony with the experimental results available in the literature and will serve as reference values for future studies of FeH. Furthermore, with the use of PECs, the total internal partition function sum (TIPS) of FeH was calculated across a range of temperatures. Finally, we exploited the single-reference nature of the a6Δ of FeH and its ionized product FeH+ (X5Δ) to evaluate the associated density functional theory (DFT) errors on their dissociation energies and spectroscopic parameters.

Navigating Market Movements: The Role of Herd Behaviour in Indian Stocks

When an individual elects to allocate their financial resources towards the stock market for the initial occasion or on a consistent basis, yet possesses insufficient knowledge pertaining to market analysis and investment strategies, the primary issue or inquiry that emerges is the appropriate allocation of capital. In more straightforward terms, this involves determining whether to invest in equity shares, preference shares, debentures, or to allocate resources to mutual funds, and if so, in which specific equity/preference shares, debentures, or mutual funds the investment should be made. Individuals may either engage the services of a stock broker to manage their investments on their behalf or choose to undertake the investment process independently. In both scenarios, their decision-making processes are likely to be influenced, either wholly or partially, by herd behaviour, commonly referred to as the bandwagon effect. Individuals tend to adhere to prevailing trends. When a substantial cohort of individuals engages in investment in a particular stock, there exists a propensity among others to similarly invest in that stock, often without conducting thorough independent analysis. They possess a belief that a significant collective cannot err. The bandwagon effect is an inherent phenomenon that is relatively innocuous to a certain degree; however, it can occasionally be strategically manipulated to influence market movements in a preferred direction, an action that may constitute unfair trade practices and is frequently observed within the stock market. While herd behaviour in everyday situations may be benign, it can prove detrimental when related to investment decisions.

Approximations of system W for inference from strongly and weakly consistent belief bases

In this article, we investigate approximations of the inductive inference operator system W that has been shown to exhibit desirable inference properties and to extend both system Z, and thus rational closure, and c-inference. For versions of these inference operators that are extended to also cover inference from belief bases that are only weakly consistent, we first show that extended system Z and extended c-inference are captured by extended system W. Then we introduce general functions for generating inductive inference operators: the combination of two inductive inference operators by union, and the completion of an inductive inference operator by an arbitrary set of axioms. We construct the least inductive inference operator extending system Z and c-inference that is closed under system P and show that it is still strictly extended by extended system W. Furthermore, we introduce an inductive inference operator that strictly extends extended system W and that is strictly extended by lexicographic inference. This leads to a comprehensive map of inference relations between rational closure and extended c-inference on the one side and lexicographic inference on the other side with extended system W and its approximations at its centre, where all relationships also hold for the unextended versions.

Synthesis, Antimicrobial, DNA Interactions, In Vitro Cytotoxicity, and Cell Cycle Analysis Efficiency of Newly Nano‐Sized Cu (II), Ni (II), Co (II), and Zn (II) Thio‐Schiff Base Complexes of 2‐((E)‐((4,5‐Dimethyl‐2‐(((E)‐4‐Methylbenzylidene)Amino)Phenyl)imino)Methyl)‐Benzenethiol

ABSTRACTNano‐sized bivalent metal complexes, specifically [M(L)2] with L = 2‐((E)‐((4,5‐dimethyl‐2‐(((E)‐4‐methylbenzylidene)amino)phenyl)‐imino)methyl)benzenethiol] (C23H22N2S) and M = Cu (II) (C1), Co (II) (C2), Ni (II) (C3), and Zn (II) (C4), underwent synthesis and subsequent characterization. Elemental analyses, infrared, NMR, mass, electronic, magnetic susceptibility, conductivity assessments, and X‐ray diffraction studies were used to assess our bivalent metal complexes. DFT studies were used to study the tautomeric equilibrium of the tridentate thio‐Schiff base ligand (HL), via the DFT\B3LYP method in connection with a 6–311G* correlation consistent basis set. Two tautomers, which are thione and thiol forms, were studied to estimate the predominant one. The metal formed four coordinated with the tridentate N2S donor thio‐Schiff base to form octahedral geometry complexes. The SEM, TEM, XRD, AFM, and EDX of the studied complexes unveiled distinct and strong diffraction peaks, signifying their crystalline nature and providing evidence of their particle sizes being within the nano‐size. The crystal sizes calculated for all complexes were determined to be ranging from 27.73 to 76.39 nm. The interactions between metal complexes and calf thymus DNA, and their potential for mimicking insulin activity, were investigated in a controlled lab setting by measuring their ability to inhibit alpha‐amylase. The antimicrobial potential of thio‐Schiff base ligand (HL) plus complexes (C1–C4) were tested. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT‐DNA) interaction with the nano‐sized metal (II) chelates. Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in both liver and breast cancer cell lines.

Hierarchical Coordinated Predictive Control of Multiagent Systems for Process Industries

Focusing on the requirements for efficient and accurate control in large-scale process industries with integrated “distributed-decentralized” characteristics, a novel hierarchical coordinated predictive control strategy for process industries is proposed with a multiagent system as the computational paradigm. This approach comprehensively considers the overall state of the system, the interactions of control actions among agents, the constraints of processes and energy consumption to solve the problems of poor flexibility of agent decision-making in the narrow consensus strategy and strong interaction of parts of the system. The proposed hierarchical control strategy requires each agent to perform three tasks at each time step. First, each agent iteratively obtains a consistent basis for closed-loop prediction in a distributed way. Then, each agent independently proposes a control scheme and determines its own priority by playing games based on the economic performance of the scheme. Next, each agent calculates its own optimal dynamic predictive control sequence in order of priority based on the system’s dynamic process model. Finally, by considering the temperature-control process of heating an alumina ceramic block in a high-power microwave reactor with six microwave sources, the effectiveness of the proposed hierarchical coordinated predictive control strategy is verified under different communication topologies by comparing it with the centralized model predictive control strategy.

Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF5- and SiF62- via Comparisons with BF4- and PF6.

This study systematically examines the interactions of the trigonal bipyramidal silicon pentafluoride and octahedral silicon hexafluoride anions with either one or two water molecules, (SiF5-(H2O)n and SiF62-(H2O)n, respectively, where n = 1, 2). Full geometry optimizations and subsequent harmonic vibrational frequency computations are performed using the CCSD(T) ab initio method with a triple-ζ correlation consistent basis set augmented with diffuse functions on all non-hydrogen atoms (cc-pVTZ for H and aug-cc-pVTZ for Si, O, and F; denoted as haTZ). Two monohydrate and six dihydrate minima have been identified for the SiF5-(H2O)n systems, whereas one monohydrate and five dihydrate minima have been identified for the SiF62-(H2O)n systems. Both monohydrated anions have a minimum in which the water molecule adopts a symmetric double ionic hydrogen bond (DIHB) motif with C2v symmetry. However, a second unique monohydrate minimum has been identified for SiF5- in which the water molecule adopts an asymmetric DIHB motif along the edge of the trigonal bipyramidal anion between one axial and one equatorial F atom. This Cs structure is more than 2 kcal mol-1 lower in energy than the C2v local minimum at the CCSD(T)/haTZ level of theory. While the interactions between the solvent and ionic solute are quite strong for the monohydrated anions (electronic dissociation energies of ≈12 and ≈24 kcal mol-1 for the SiF5-(H2O)1 and SiF62-(H2O)1 global minima, respectively), these values are nearly perfectly doubled for the dihydrates, with the lowest-energy SiF5-(H2O)2 and SiF62-(H2O)2 minima exhibiting dissociation energies of ≈24 and ≈47 kcal mol-1, respectively. Structures that form hydrogen bonds between the solvating water molecules also exhibit the largest shifts in the harmonic OH stretching frequencies for the waters of hydration. These shifts can exceed -100 cm-1 for the SiF5-(H2O)2 minimum and -300 cm-1 for the SiF62-(H2O)2 minimum relative to an isolated H2O molecule at the CCSD(T)/haTZ level of theory. This work also corrects the OH stretching frequency shifts for two dihydrate minima of PF6- that were previously erroneously reported ( J. Phys. Chem. A 2020, 124, 8744-8752, DOI: 10.1021/acs.jpca.0c06466).

Risk-informed integrated design optimization for offshore wind farm electrical systems

The present paper develops and presents a risk-informed framework for the design of electrical systems of offshore wind farms. The framework provides a consistent theoretical and methodical basis for the treatment of uncertainties affecting service life performances and accounts for both the direct and indirect consequences related to system failure events. The risk of electrical systems is represented through a probabilistic systems modeling approach in which the states (direct failure, available, and unavailable) of the components and the resulting consequences are duly accounted for. The paper further proposes a risk-informed design optimization framework for offshore wind farm electrical systems (collection and transmission systems). Two risk indicators, the scenario-based net present value, and the robustness index, are formulated and quantified to support decision-making. The proposed framework and associated methods are illustrated through an application example considering an OWF comprised of 57 10MW wind turbines with HVAC transmission.

Genetic Effects of Grain Quality Enhancement in Indica Hybrid Rice: Insights for Molecular Design Breeding

Improving rice quality remains a crucial breeding objective, second only to enhancing yield, yet progress in quality improvement lags behind yield. The high temperature and ripening conditions in Southern China often result in poor rice quality, impacting hybrid rice production and utilization. Therefore, to address this challenge, analyzing the molecular basis of high-quality traits is essential for molecular design breeding of high-quality hybrid rice varieties. In this study, we investigated the molecular basis of grain shape, amylose content, gel consistency, gelatinization temperature, and aroma, which influence rice quality. We discovered that quality related alleles gs3, GW7TFA, gw8, chalk5, Wxb, ALKTT, and fgr can enhance rice quality when applied in breeding programs. Polymerization of gs3, GW7TFA, gw8, and chalk5 genes improves rice appearance quality. The gs3 and GW7TFA allele polymerization increasing the grain’s length-width ratio, adding the aggregation of gw8 allele can further reducing grain width. The chalk5 gene regulates low chalkiness, but low correlation to chalkiness was exhibited with grain widths below 2.0 mm, with minimal differences between Chalk5 and chalk5 alleles. Enhancing rice cooking and eating quality is achieved through Wxb and ALKTT gene polymerization, while introducing the fgr(E7) gene significantly improved rice aroma. Using molecular marker-assisted technology, we aggregated these genes to develop a batch of indica hybrid rice parents with improved rice quality are obtained. Cross-combining these enhanced parents can generate new, high-quality hybrid rice varieties suitable for cultivation in Southern China. Therefore, our findings contribute to a molecular breeding model for grain quality improvement in high-quality indica hybrid rice. This study, along with others, highlights the potential of molecular design breeding for enhancing complex traits, particularly rice grain quality.

Enhancing the degrees of freedom of topology optimization via variable-porosity metal foams: Design of heat conduction paths in a volume-to-point problem

Multi-material topology optimization determines the optimal distribution of different materials within a design domain in order to achieve specific performance goals. This work takes advantage of such technique to enhance the thermal performance of a benchmark heat conduction problem. The aim is to investigate the impact of enhancing the degrees of freedom introducing different materials, i.e., variable-porosity metal foams in addition to the high-conductivity solid, in the design of heat conduction paths under a constant weight constraint. The study leverages a well-established case study – volume-to-point problem – in the field of thermal management, ensuring a consistent basis for comparison. It consists of a square domain with a uniform heat source and a Dirichlet condition at a point on the boundary. Interpolation functions – ordered solid isotropic material with penalization (SIMP) type – allow the properties – in this case thermal conductivity – of materials to be correctly assigned. The distinction between materials is made by means of different thresholds on the projection function. By varying the foam porosity, we investigate the trade-offs between weight and heat dissipation efficiency. The objective is to find the ideal combination of materials that maximizes heat transfer – minimizing the average domain temperature – while conforming to weight constraints. Findings reveal that multi-material topology optimization – when applied to heat conduction problems – can outperform other design approaches, such as the growth-based algorithm, the evolved constructal tree, and the classical topology optimization (with one solid material), thereby paving the ground to innovative heat sink designs in weight-constrained environments.

Probing Antioxidant-Related Properties for Phenolic Compounds.

In this work, properties related to antioxidant-potential mechanisms (such as the bond dissociation enthalpy, BDE, for the homolytic cleavage of the O-H bond and ionization energies, IEs) were determined for phenol, pyrocatechol, and gallic acid (GA). Both the protonated and deprotonated forms of GA were investigated. The Feller-Peterson-Dixon (FPD) composite method was employed with a variety of computational approaches, i.e., density functional theory, Möller-Plesset perturbation theory, and coupled-cluster-based methods, in combination with large correlation consistent basis sets with extrapolation to the complete basis set limit and consideration of core electron correlation effects. FPD results were compared to experimental and computational data available in the literature, presenting good agreement. For example, the FPD BDE (298 K) obtained for phenol, which was based on valence-correlated MP2/CBS calculations with contributions from correlating all electrons, was determined to be 87.56 kcal/mol, a value that is 0.42 kcal/mol lower than the result obtained in the most recent experiments, 87.98 ± 0.62. Calibration against coupled-cluster calculations was also carried out for phenol. We expect that the outcomes gathered here may help in establishing a general protocol for computational chemists that are interested in determining antioxidant-related properties for phenolic compounds with considerable accuracy as well as to motivate future IE measurements (particularly for GA) to be accomplished in the near future.

“Comparing merit order effects of wind penetration across wholesale electricity markets”

Renewable energy (RE) deployment is growing rapidly in electricity industries worldwide due to climate change and energy security concerns. Increased penetration into wholesale electricity markets poses new challenges for the electric utility industry. Among the topics receiving increased attention is the decrease of the equilibrium electricity price resulting from RE penetration, commonly known as the Merit Order Effect (MOE) in wholesale electricity markets. The pricing mechanism in most wholesale electricity markets is based on marginal cost. Using data from two wholesale electricity market regions (Pennsylvania – New Jersey – Maryland (PJM) and Electric Reliability Council of Texas (ERCOT)) and two different markets (day-ahead market (DAM) and real-time market (RTM)), we examine whether the MOE exists across both the DAM and RTM and how do different market conditions as represented by quantiles of wholesale electricity prices impact the MOE. Quantile regression is used to obtain coefficient estimates that indicate wind penetration demonstrates the MOE on a relatively consistent basis across market conditions in the DAM for both the PJM and ERCOT regions. However, results from the RTM show vastly different results with the PJM region demonstrating the MOE across all quantiles with declining impacts at higher quantiles and in the ERCOT region, the lower quantiles show a positive impact from wind penetration, failing to support the MOE price-dampening hypothesis. One possible interpretation of this unusual result is linked to connections between ancillary services markets in ERCOT and DAM prices, as described and estimated by Zarnikau et al. (2019) [23].

New Schiff's base derivative and their nano‐sized Cr (III), Fe (III), Ru (III), and Ir (III) complexes: Preparation, DFT, characterization, bio‐catalytic, DNA interactions, cytotoxicity, and docking studies

Nano‐sized trivalent metal complexes of Cr (III), Fe (III), Ru (III), and Ir (III) were synthesized and characterized of the form [M (FMAVIEP)Cl2] where FMAVIEP = ligand (C14H11N2O2) and M = Cr (III), Fe (III), Ru (III), and Ir (III). Several spectral techniques studies were used to assess our trivalent metal complexes. The trivalent metal complexes' XRD results revealed sharp and intense diffraction peaks, signifying their crystalline properties at nanoscale particle size. Further evidence was obtained from images captured through techniques such as SEM, TEM, energy‐dispersive X‐ray, and AFM. These images confirmed the homogeneous distribution of the trivalent metal complexes over the surface of the complex. DFT studies were used to study the nano‐sized metal (III) complexes via the DFT\B3LYP computational approach, employing a 6–311G* correlation consistent basis set. The energy gap of synthesized complexes was inspected. The obtained data exhibited a strong correlation with the experimental ones, implying the bio‐efficiency of the Ru (III) complex. The absorption measurements for the nano‐sized complexes' interaction with CT‐DNA signify that nano‐sized metal (III) complexes bind through an intercalation mechanism. This conclusion is supported by the observed intrinsic binding constant (Kb) 3.33 × 105–5.84 × 105 M−1.

Performance Evaluation of Hospitals under Data Uncertainty: An Uncertain Common-Weights Data Envelopment Analysis.

In the context of healthcare systems, the performance evaluation of hospitals plays a crucial role in assessing the quality of healthcare systems and facilitating informed decision-making processes. However, the presence of data uncertainty poses significant challenges to accurate performance measurement. This paper presents a novel uncertain common-weights data envelopment analysis (UCWDEA) approach for evaluating the performance of hospitals under uncertain environments. The proposed UCWDEA approach addresses the limitations of traditional data envelopment analysis (DEA) models by incorporating the uncertainty theory (UT) to model the inherent uncertainty in input and output data. Also, by utilizing a common set of weights (CSW) technique, the UCWDEA method provides a more robust and reliable assessment of hospital performance. The main advantages of the proposed UCWDEA approach can be succinctly summarized as follows. Firstly, it allows for the comparison of all hospitals on a consistent basis to calculate a realistic efficiency score, rather than an overly optimistic efficiency score. Secondly, the uncertain common-weights DEA approach exhibits linearity, enhancing its applicability. Thirdly, it possesses the capability to extend its utility under various other prevalent uncertainty distributions. Moreover, it enhances the discriminatory power of results, facilitates the ranking of hospitals in the presence of data uncertainty, and aids in identifying the sensitivity and stability levels of hospitals towards data uncertainty. Notably, in order to showcase the pragmatic application and efficacy of the uncertain common-weights DEA model, a genuine dataset has been utilized to evaluate the efficiency of 20 public hospitals in Tehran, all of which are affiliated with the Iran University of Medical Sciences. The results of the experiment demonstrate the efficacy of the UCWDEA approach in assessing and ranking hospitals amidst uncertain conditions. In summary, the research outcomes can offer policymakers valuable insights regarding hospital performance amidst data uncertainty. Additionally, it can provide practical recommendations on optimizing resource allocation, benchmarking performance, and formulating effective policies to augment the overall efficiency and effectiveness of healthcare services.

Are liver abnormalities associated with hospital mortality in viral infections?

Objective: Patients hospitalised with severe viral infections may have abnormal liver function. Multiple studies have linked systemic-disseminated viral infections to liver damage. The progression, medical significance, and impact of atypical liver chemical levels on hospitalised infections are unknown. Aims: This study addresses these concerns and examines how liver-related biochemical abnormalities affect viral infection patients' clinical outcomes. Methods: A retrospective study was conducted at the royal medical services’ institutions, focusing on patients admitted over two years. The primary purpose was to gather information about patients who underwent testing. Patients with abnormalities in liver indices, specifically alanine transferase (ALT) and aspartate aminotransferase (AST), were included in the study. Patients with an AST/ALT ratio greater than 2 were excluded. Patients were classified as either having a lower liver disease status (Status I) or a higher liver disease status (Status II). The classification of liver disease statuses was based on the LDH to AST ratio (below 6.5 or higher than 6.5). The study used independent T-tests, Chi Square Test, and multiple logistic regression to analyze non-parametric data. A significance level of 5% was chosen, and SPSS ver 25 was used for the study. The study aimed to determine the effects of gender, severity group at admission, and composite predictors on the likelihood of admitted viral infected patients having liver diseases. Results: MAOVA analysis revealed a significant difference in overall mortality among individuals infected with SARS-VIRAL, based on the LDH: AST 1 and LDH: AST 2 ratios. The statistical test yielded an F-value of 1204.283 with degrees of freedom (2, 778), and a p-value of less than .0005. Additionally, Wilk's Lambda was found to be 0.244, indicating a strong effect size (partial η2 = 0.756). Conclusion: The involvement of the liver in viral infections is directly correlated with mortality, as this correlation is very clear. Therefore, it is of the utmost importance to incorporate hepatic enzymes as a criterion when evaluating patients who have viral infections. This is because of the impact that elevated liver enzymes have on immune cells and, as a result, the overall clinical outcomes. Since this is the case, it is essential for viral patients to undergo daily monitoring of their liver enzymes on a consistent basis.

Correlation consistent basis sets designed for density functional theory: Third-row atoms (Ga-Br).

The correlation consistent basis sets (cc-pVnZ with n = D, T, Q, 5) for the Ga-Br elements have been redesigned, tuning the sets for use for density functional approximations. Steps to redesign these basis sets for an improved correlation energy recovery and efficiency include truncation of higher angular momentum functions, recontraction of basis set coefficients, and reoptimization of basis set exponents. These redesigned basis sets are compared with conventional cc-pVnZ basis sets and other basis sets, which are, in principle, designed to achieve systematic improvement with respect to increasing basis set size. The convergence of atomic energies, bond lengths, bond dissociation energies, and enthalpies of formation to the Kohn-Sham limit is improved relative to other basis sets where convergence to the Kohn-Sham limit is typically not observed.

Digital, Self-Regulated Vocabulary Learning and Device Control In Out-Of-Class, Higher Education Settings

Self-regulation of learning behaviour is particularly important when it comes to vocabulary learning for academic purposes in a second language because it often needs to be done on a regular and consistent basis and mostly in out-of-class, self-directed settings to be successful. Self-regulation is also vital when this learning takes place using digital activities on smartphones because these are now ubiquitous devices and deeply embedded in both daily life and higher education settings. Features such as notifications from social media applications can end up distracting students from their academic tasks unless they have the capacity to manage and control their behaviour. This naturalistic, mixed methods study conducted with students on an academic English foundation course in a higher education context aimed to measure their capacity for self-regulated vocabulary learning through technology before and after 10 weeks of intentional digital vocabulary learning in out-of-class settings and to see if there was any difference between learning on a laptop and a smartphone. The purpose of this study was to find out if device control was a relevant dimension of self-regulation, which is an under-researched area. The study collected quantitative data through a recently developed self-report survey tool, and differences in scores were measured using Wilcoxon signed-rank tests. Qualitative data was also collected from students through paired-depth interviews, and this was analysed using typological analysis. The results revealed that the students’ self-reported capacity for self-regulated vocabulary learning through laptops was significantly higher than their capacity for self-regulated vocabulary learning through smartphones. In addition, commitment regulation when using a smartphone decreased significantly over the 10-week period primarily due to distractions from social media notifications. At the same time, students were aware of when to use each device for different types of learning activities and under different temporal and spatial conditions. Overall, this study showed that device control should be considered an additional dimension of a model of digital, self-regulated vocabulary learning and should also be incorporated into future research in the field of e-learning. In addition, students in higher education need to be given more guidance about the benefits and drawbacks of different devices and how to develop their capacity and strategies for greater device self-regulation.