Miracle-dz/UniFAR-FTUs huggingface dataset:
USE OF GAUSS-HERMITE QUADRATURE IN THE TREATMENT OF PREDISSOCIATION RESONANCES WITH THE COMPLEX-SCALING METHOD

An efficient numerical integration procedure based on the Gauss–Hermite quadrature is developed for evaluation of rovibrational Hamiltonian matrix elements in a basis of complex-scaled harmonic oscillator functions. By scaling the basis functions rather than the Hamiltonian itself, it is possible to employ molecular potential energy and coupling data directly in numerical form without first having to fit them to analytical functions. The new method is employed for the treatment of the CO B-D 1Σ+ system by employing model diabatic potentials and coupling elements from the literature. Calculations are carried out in both the original diabatic and the corresponding adiabatic representation of the electronic states. Because of the sharp oscillations in the nonadiabatic coupling functions it is found that the convergence properties in the diabatic basis are somewhat better than in the corresponding adiabatic treatment, but very good agreement is obtained between the two sets of energy and linewidth results for.
Speciation of Antimony(III) and Antimony(V) in Bottled Water by Hydride Generation-Inductively Coupled Plasma Optical Emission Spectrometry

Speciation of Sb(III) and Sb(V) was investigated using hydride generation with the selective formation of stibine from Sb(III). A continuous flow system using a homemade gas-liquid separator with inductively coupled plasma optical emission spectrometry was employed. The conditions and concentrations of NaBH4, HCl, citric acid, and KI were optimized to obtain limits of detection of 0.05 for Sb(III) and 0.11 µg L−1 for total Sb without preconcentration. An attractive sampling rate of 26 analyses h−1 was obtained, suggesting application for routine analysis. The method was employed for the determination of Sb(III) and total Sb in bottled drinking water, and recovery values between 82.0 and 98.8% with relative standard deviation lower than 6.2% were observed, demonstrating appropriate accuracy and precision.
Selective Reverse Micellar Extraction of Three Proteins from Filtered Fermentation Broth Using Response Surface Methodology

The influence of three system parameters [bis(2-ethylhexyl)sulfosuccinate (AOT) concentration, pH, and temperature] on the selective separation of cytochrome c, lysozyme, and ribonuclease A from buffer solution and a filtered fermentation broth was examined. It was found that a minimal AOT concentration exists for ≥90% extraction from a buffer solution, and this concentration depends on the pH of solution and hydrophobicity of the protein. Extraction from filtered broth resulted in a reduction of the minimal concentration for both cytochrome c and lysozyme, while for ribonuclease A it was unchanged. It appears that certain broth constituents act as cosurfactants and reduce the charge repulsion between the surfactant headgroups leading to smaller micelles. This is turn led to a reduction in the pH range, although extraction yields were unaltered. The water content (W 0) was measured in a reverse micellar phase in contact with buffer, filtered fermentation broth, and molecular weight fractionated or extracted broth. This data led to the conclusion that the broth constituents responsible for changes in the minimal AOT concentration and W 0 were low molecular weight positively charged amino acids and phospholipids. Finally, response surface methodology was used to optimize key system parameters in order to maximize protein extraction, and this technique minimizes the experiments required. By using these optimized conditions, a mixture of the three proteins could be recovered from a filtered broth with high yields (70–97%) and high purity. Furthermore, the initial protein concentration was found not to influence protein recovery.
Comment on ‘On the relationship between Atlantic meridional overturning circulation slowdown and global surface warming’

The recent Environmental Research Letters article by Caesar, Rahmstorf and Feulner (hereafter CRF) is essentially a Comment on our Nature paper (Chen and Tung 2018 Nature 559 387–91), but without an accompanying rebuttal from us. In this unusual format for the exchange outside Nature, our rebuttal then becomes a Comment here at Environmental Research Letters. Our original proposal that the rate of global warming is enhanced by a weak Atlantic Meridional Overturning Circulation (AMOC) remains valid and is strengthened with this exchange. CRF used “established evidence” to argue against our finding, but such evidence is either misapplied (i.e. applying model results from preindustrial control runs with constant greenhouse gasses to the industrial era with increasing greenhouse gasses), or misinterpreted (i.e. climate model results for the industrial era specifically for the trends interpreted as for the AMOC cycles). While we used the observed energy budget to show that a strong (weak) AMOC transports more (less) heat to below 200 m, CRF replaces the actual budget with a simple energy-balance equation. They used an inappropriate equilibrium approximation to their simple equation to argue that global mean surface temperature (GMST) and AMOC should be in phase. We show here that the exact solution to that same equation actually supports our claim on the relationship between the rate of change of GMST and the AMOC state, which they misunderstood as we claiming a negative correlation between GMST and AMOC themselves. They claimed, incorrectly, that a positive correlation coefficient, no matter how small and even though none of them is statistically significant, is strong evidence that the two time series are in phase. The correlation coefficients that they found using observational data (0.01, 0.28 and 0.45), though positive, correspond to 89∘,74∘,63∘ out of phase, far from being in-phase. Visually they were made to look somewhat in-phase with decadal smoothing and short-period detrending. Both model and observational evidence supports the conclusion of our original paper that the period of AMOC minimum is a period of rapid rate of surface warming.
Computer Vision and Image Understanding

Neural networks (NNs) are becoming the tool of choice for sharpening blurred images. We discuss and categorize deblurring NNs. Then we evaluate seven NNs for non-blind deblurring (NBD), and seven NNs and four optimization techniques for blind deblurring (BD). To do this we use several current datasets containing pairs of sharp and blurred images, synthesized either by convolving sharp images with blur kernels or by averaging consecutive sharp images, so as to produce both uniform and non-uniform blurs. We also introduce a newly reorganized benchmark dataset in which blurred images have been classified using attributes that depend on the extent of the blur. We use this dataset to compare the effectiveness of single and multi-scale training in coping with large blurs. On NBD, NNs that use regularization with a denoising prior network outperform other denoising NNs; and NNs that use a deep image prior network outperform other deconvolution NNs. On BD, NNs outperform optimizations in signal-difference terms, but not in terms of perceptual fidelity. We found that multi-scale training helps NNs to deal with large blurs, and RNNs outperform CNNs. We also observed that GANs using a perceptual loss function produce artifacts; but also that some form of perceptual fidelity loss is required to get the best results from NNs. We contend that the domain bias of current datasets works against robustness and generality. And we discuss the potential of more sophisticated perceptual loss functions, attention techniques, and unsupervised learning.
Evaluation of Five International HBV Treatment Guidelines: Recommendation for Resource-Limited Developing Countries Based on the National Study in Nepal

Hepatitis B virus (HBV) infects the liver, causing cirrhosis and cancer. In developed countries, five international guidelines have been used to make a decision for the management of patients with chronic HBV infection. In this review, since the guidelines were established by clinical and epidemiological data of developed countries, we aimed to evaluate whether (1) HBV patient profiles of developing countries are similar to developed countries, and (2) which guideline can be applicable to resource-limited developing countries. First, as an example of the most recent data of HBV infections among developing countries, we evaluated the national HBV viral load study in Nepal, which were compared with the data from other developing countries. In Nepal, the highest number of patients had viral loads of 20–2000 IU/mL (36.7%) and belonged to the age group of 21–30 years; HBV epidemiology in Nepal, based on the viral loads, gender, and age groups was similar to those of not only other developing countries but also developed countries. Next, we reviewed five international HBV treatment guidelines of the World Health Organization (WHO), American Association for the Study of Liver Diseases (AASLD), National Institute for Health and Care Excellence (NICE), European Association for the Study of the Liver (EASL), and Asian Pacific Association for the Study of the Liver (APASL). All guidelines require the viral load and alanine aminotransferase (ALT) levels for decision making. Although four guidelines recommend elastography to assess liver cirrhosis, the WHO guideline alternatively recommends using the aspartate aminotransferase (AST)-to-platelet ratio index (APRI), which is inexpensive and conducted routinely in most hospitals. Therefore, in resource-limited developing countries like Nepal, we recommend the WHO guideline for HBV treatment based on the viral load, ALT, and APRI information.
Inside the Black Box of Organizational Life: The Gendered Language of Performance Assessment

Organizations implement formalized procedures to eliminate the biasing effects of gender and other characteristics on evaluations. Prior work shows managers play a key role, but researchers have been unable to observe the thought processes guiding managers’ evaluations. This article takes a first step in examining managers’ sensemaking as they interpret and evaluate employee behaviors. Our data include managers’ written performance reviews and numeric ratings of employees at a Fortune 500 technology company. Our theoretical model—the Viewing and Valuing Social Cognitive Processing Model—explains how and when gender beliefs frame managers’ evaluations, affecting what behaviors managers notice (i.e., view) and rate highly (i.e., value). After conducting a detailed coding of the language in reviews, we assess whether there are gender differences in (1) the language used to describe performance (i.e., viewing differences) and (2) the correlations between that language and numeric ratings (i.e., valuing differences). Our analysis of 88 language attributes reveals where gender frames managers’ evaluations and where the process instead operates gender-neutrally. For example, men and women are equally likely to be described as having technical ability, while women are viewed as too aggressive and men as too soft. Furthermore, some behaviors, such as “taking charge,” are more valued for men than for women: “taking charge” is associated with the highest performance ratings for men but not for women. Overall, our analysis identifies novel ways that gender biases emerge in a process intended to be meritocratic.
A library-based model for explaining information exchange on Coronavirus disease in Nigeria

Background: Misinformation about COVID-19 is one of the challenges that health experts need to overcome if they must effectively create awareness about the virus. Available literature point to the fact that libraries have a significant role to play in the dissemination of health messages. Additionally, recent evidence on the nexus between mobile technology devices and libraries show that such devices have promising potentials to assist modern libraries in their service delivery. Nonetheless, researchers have paid less attention in suggesting models that explain how modern libraries can contribute in information dissemination during public health emergencies in general and COVID-19 in particular. Objective: This study sought to develop a library-based model that will explain how libraries can make use of mobile technology devices to deliver information to their patrons regarding COVID-19. Methodology: An online descriptive survey was used for the study. The questionnaire served as the instrument for data collection. A total of 470 participants took part in the study. The respondents were sampled through respondent-driven sampling (RDS) chain referrals. The multiple regression analysis was used to analyze data for the study. Results: Mobile technology devices such as cell phone, smartphones, smartwatches, laptops, netbook, etc can be used to effectively deliver information on COVID-19 to library users in Nigeria. Additionally, facilitating conditions such as access to Internet connectivity, ownership of mobile technology device, ability to operate mobile technology devices, as well as capacity to make provision for alternative Internet access determine the utilization of mobile technology for receiving information on COVID-19 through libraries among users in Nigeria. Finally, performance expectancy and effort expectancy significantly predict behaviour intention regarding the use of mobile library features for information reception on COVID-19 in Nigeria. Unique contribution: The study has developed a library-based model that explains how to use mobile technology devices to effectively disseminate information on COVID-19 to library users in Nigeria. Conclusion: Libraries have a critical role to play regarding information dissemination during public health emergencies such as COVID-19. Key recommendation: Libraries should deploy mobile technology devices to effectively deliver services to their patrons.
E-Cigarette or Vaping Product Use-Associated Lung Injury: A Severe Case That Responded to Corticosteroid Treatment

Vaping is associated with an increased risk of lung injury; however, each case of vaping-associated lung injury leads to varying degrees of lung injury, and the response to therapy can be heterogeneous. Corticosteroid use has been suggested as a treatment for lung injuries associated with vaping. We report a case of e-cigarette or vaping product use-associated lung injury (EVALI) that resulted in acute hypoxic respiratory failure. A 20-year-old woman presented with complaints of sore throat, dry cough, shortness of breath, and pleuritic chest pain. The patient admitted to vaping regularly for the past three years. The patient was found to be severely hypoxemic with respiratory distress and was intubated shortly after her arrival at the emergency department. She was treated with a short course of corticosteroids with tapering of the dose based on her response with significant improvement, and she was extubated on the seventh day of her admission. EVALI is a syndrome associated with severe lung injury that results in acute respiratory failure that is clinically indistinguishable from acute respiratory distress syndrome, and it is largely a diagnosis of exclusion. The use of systemic corticosteroids in treating these patients should be considered after excluding an infectious etiology.
Dissemination of different sequence types lineages harboring blaCTX-M-15 among uropathogenic Escherichia coli in Kerman, Iran

Objective(s): Escherichia coli is one of the most important causes of urinary tract infections (UTIs). The aim of this study was to determine antimicrobial resistance, resistance and virulence genes; phylogenetic groups and identify the epidemiologic features of uropathogenic E. coli (UPEC) isolates by multilocus sequence typing (MLST). Materials and Methods: One hundred isolates of E. coli from inpatients with UTIs were collected in Kerman, Iran. Antimicrobial susceptibility testing, ESBLs, AmpC production and biofilm formation were performed by phenotypic methods. Phylogenetic groups, resistance and virulence genes were detected. Molecular typing of isolates was performed by MLST. Results: In this study, 76% of isolates were multidrug-resistant. The blaCTX-M-15 and blaTEM were the dominant ESBL-encoding gene. Among 63 ciprofloxacin-resistant isolates, the frequency of qnrS (15.8%), qnrB (9.5%), and aac (6’)-Ib (25% ) genes was shown. Fifty-five present of isolates were classified as week biofilm, (14%) moderate biofilm, and (5%) strong. The predominant phylogenetic group was B2 (3) . The prevalence of virulence genes ranged fimH (93%), iutA (66%), KpsmtII (59%), sat (39%), cnf (28%) and hlyA (27%). According to MLST results, 14 sequence types (ST) including ST-693, ST-90, ST-101, ST-1664, ST-2083, ST-131, ST-4443, ST-744, ST-361, ST-405, ST-922, ST-648, ST-5717and ST-410 were detected, indicating a high degree of genotypic diversity. Conclusion: We identified a high frequency of the ST131 clonal group among UTIs. These data show an important public health threat, and so further studies to control the dissemination and risk factors for acquisition of the ST131 clonal group and other STs are needed to make effective control.
The stratification of media usage in Finland, 2007–2018: Signs of socio-political polarization?

Over the last 10–15 years, Western societies have faced two interrelated social changes: the digitalization of media and the increase in socio-political polarization. While their relationship is causally reciprocal, population-level empirical studies focusing on over-time change remain scarce. We adopt the temporal perspective on the socio-political stratification of media usage in the context of Finland, one of the so-called Nordic media welfare states. We ask whether the ways in which media usage is socially stratified has changed from 2007 to 2018 and whether there is political polarization of media consumption. We draw on two nationally representative comparative surveys, collected in 2007 (N = 1388) and 2018 (N = 1425), and show that the main media usage patterns—the wide, the narrow, and the Internet-focused media repertoires—differ both in terms of their sociodemographic and political profiles and that the opposition between the wide and the narrow repertoires becomes increasingly polarized.
Relationship between earnings management and abnormal book-tax differences in Brazil

ABSTRACT The aim of this study was to verify whether the discretionary actions of managers to manage earnings can be captured by abnormal book-tax differences (ABTD). In Brazil, there are no studies with the disaggregated use of earnings management (EM) through operational choices as a proxy for discretionary decisions to be captured by ABTD. Moreover, the previous studies focus on the period before the International Financial Reporting Standards (IFRS) were required in Brazil or when they were still being implemented, which may change the context of earnings management in the country and, consequently, the relationship with ABTD. This study is relevant for accounting information users, such as investors, creditors, the tax authorities, and regulatory bodies, as the findings may help them to identify manager opportunism through earnings management. The identification that tax management can be affected by EM through accounting and operational decisions reveals that investors, creditors, the tax authorities, regulators, and auditors should remain vigilant against deteriorations in accounting information quality and, consequently, in the utility of that information. An analysis of 201 non-financial companies was carried out, covering 2012 to 2016, thus totaling 1,005 observations. Five panel data regression models were used: three to capture EM, one to identify ABTD, and one to relate these variables. A significant and positive relationship was revealed between accounting and operational EM and ABTD, indicating that companies that manage earnings upward have positive ABTD, and companies that manage earnings downward have negative ABTD. This research therefore contributes to identifying that ABTD captures the discretionary actions of managers related to EM through accounting and operational decisions.
The study of polyimide films and adhesion using a surface acoustic wave sensor

A dual delay line surface acoustic wave (SAW) sensor on an ST-quartz substrate has been used to study water uptake and downtake and its effect on adhesion in both cured and uncured polyimide films. Particular attention is focused on the effect that an adhesion promoter may have on the strength of the adhesive bond. Film samples both with and without an adhesion promoter were studied. The experimental results suggest the possibility of using a SAW sensor as a cure indicator, humidity sensor, or adhesion sensor. <<ETX>>
Archaeal Intact Polar Lipids in Polar Waters: A Comparison Between the Amundsen and Scotia Seas

Abstract. The West Antarctic Ice Sheet (WAIS) is one of the largest potential sources of future sea-level rise, with glaciers draining the WAIS thinning at an accelerating rate over the past 40 years. Due to complexities in calibrating palaeoceanographic proxies for the Southern Ocean, it remains difficult to assess whether similar changes have occurred earlier during the Holocene or whether there is underlying centennial- to millennial-scale forcing in oceanic variability. Archaeal lipid-based proxies, specifically glycerol dialkyl glycerol tetraether (GDGT; e.g. TEX86 and TEX86L), are powerful tools for reconstructing ocean temperature, but these proxies have been shown previously to be difficult to apply to the Southern Ocean. A greater understanding of the parameters that control Southern Ocean GDGT distributions would improve the application of these biomarker proxies and thus help provide a longer-term perspective on ocean forcing of Antarctic ice sheet changes. In this study, we characterised intact polar lipid (IPL)-GDGTs, representing (recently) living archaeal populations in suspended particulate matter (SPM) from the Amundsen Sea and the Scotia Sea. SPM samples from the Amundsen Sea were collected from up to four water column depths representing the surface waters through to Circumpolar Deep Water (CDW), whereas the Scotia Sea samples were collected along a transect encompassing the sub-Antarctic front through to the southern boundary of the Antarctic Circumpolar Current. IPL-GDGTs with low cyclic diversity were detected throughout the water column with high relative abundances of hydroxylated IPL-GDGTs identified in both the Amundsen and Scotia seas. Results from the Scotia Sea show shifts in IPL-GDGT signatures across well-defined fronts of the Southern Ocean. Indicating that the physicochemical parameters of these water masses determine changes in IPL-GDGT distributions. The Amundsen Sea results identified GDGTs with hexose-phosphohexose head groups in the CDW, suggesting active GDGT synthesis at these depths. These results suggest that GDGTs synthesised at CDW depths may be a significant source of GDGTs exported to the sedimentary record and that temperature reconstructions based on TEX86 or TEX86L proxies may be significantly influenced by the warmer waters of the CDW.