Miracle-dz/UniFAR-FTUs huggingface dataset:
Structure and magnetism of bulk Fe and Cr: from plane waves to LCAO methods

Magnetic, structural and energetic properties of bulk Fe and Cr were studied using first-principles calculations within density functional theory (DFT). We aimed to identify the dependence of these properties on key approximations of DFT, namely the exchange–correlation functional, the pseudopotential and the basis set. We found a smaller effect of pseudopotentials (PPs) on Fe than on Cr. For instance, the local magnetism of Cr was shown to be particularly sensitive to the potentials representing the core electrons, i.e. projector augmented wave and Vanderbilt ultrasoft PPs predict similar results, whereas standard norm-conserving PPs tend to overestimate the local magnetic moments of Cr in bcc Cr and in dilute bcc FeCr alloys. This drawback is suggested to be closely correlated to the overestimation of Cr solution energy in the latter system. On the other hand, we point out that DFT methods with very reduced localized basis sets (LCAO: linear combination of atomic orbitals) give satisfactory results compared with more robust plane-wave approaches. A minimal-basis representation of ‘3d’ electrons comes to be sufficient to describe non-trivial magnetic phases including spin spirals in both fcc Fe and bcc Cr, as well as the experimental magnetic ground state of bcc Cr showing a spin density wave (SDW) state. In addition, a magnetic ‘spd’ tight binding model within the Stoner formalism was proposed and validated for Fe and Cr. The respective Stoner parameters were obtained by fitting to DFT data. This efficient semiempirical approach was shown to be accurate enough for studying various collinear and non-collinear phases of bulk Fe and Cr. It also enabled a detailed investigation of different polarization states of SDW in bcc Cr, where the longitudinal state was suggested to be the ground state, consistent with existing experimental data.
Change in endometrial thickness in postmenopausal women undergoing hormone replacement therapy.

PURPOSE To evaluate the effect over time of hormone replacement on endometrial thickness in asymptomatic postmenopausal women. MATERIALS AND METHODS Endometrial thickness was measured on 644 sonograms of 120 postmenopausal volunteers receiving no hormones or one of three hormone regimens. Each subject underwent ultrasound (US) two to nine times. In addition, eight women using sequential hormones underwent US seven to 20 times over 2 months. The greatest endometrial thickness and change in endometrial thickness over time were evaluated. RESULTS Endometrial thickness was statistically significantly greater in women using sequential hormones (8 mm) compared with that in control subjects (5 mm). Change in endometrial thickness (> 3-mm difference) was seen in 23 of 40 women using sequential hormones compared with six of 61 controls. Women using sequential hormones demonstrated maximum endometrial thickness on days 13-23 of the cycle. CONCLUSION Women using sequential hormones show greater endometrial thickness than that in controls and show the most variation in measurements. They should undergo US either early or late in the hormone cycle to evaluate the endometrium at its thinnest.
Active and Passive Suicidal Ideation in Older Prisoners.

BACKGROUND Older prisoners are the fastest growing incarcerated population with high suicide rates, yet limited information is available to inform best practices for their early risk detection and suicide prevention. AIMS The present study sought to determine the current prevalence of and factors associated with active suicidal ideation (ASI) and passive suicidal ideation (PSI) in older prisoners, and to determine if ASI and PSI were similarly associated with depression and lifetime suicide attempt - markers of subsequent suicide. METHOD ASI, PSI, current major depressive episode (MDE), lifetime suicide attempt, and participant characteristics were assessed during interviews with 124 prisoners aged 50 years and older. Participants were assigned to one of three mutually exclusive groups: no SI, PSI only, and ASI. RESULTS Past alcohol dependence and fair/poor self-rated health were associated with SI. Compared with those with no SI, older prisoners with PSI (10%) and ASI (11%) were more likely to have a lifetime suicide attempt and/or MDE. However, the likelihood of experiencing either MDE or a suicide attempt did not differ between those with ASI or PSI. CONCLUSIONS Among older prisoners, PSI and ASI may be similarly associated with markers of subsequent suicide. PSI should not be considered inconsequential and may distinguish older prisoners with elevated suicide risk.
Maltose-binding protein does not modulate the activity of maltoporin as a general porin in Escherichia coli

Maltoporin (lambda receptor) is part of the maltose transport system in Escherichia coli and is necessary for the facilitated diffusion of maltose and maltodextrins across the outer membrane. Maltoporin also allows the diffusion of nonmaltodextrin substrates, albeit with less efficiency. The preference of maltoporin for maltodextrins in vivo is thought to be the result of an interaction of maltoporin with the maltose-binding protein, the malE gene product. In a recent report Heuzenroeder and Reeves (J. Bacteriol. 144:431-435, 1980) suggested that this interaction establishes a gating mechanism which inhibits the diffusion of nonmaltodextrin substrates, such as lactose. To reinvestigate this important conclusion, we constructed ompR malTc strains carrying either the malE+ gene, the nonpolar malE444 deletion, or the malE254 allele, which specifies an interaction-deficient maltose-binding protein. Lactose uptake was measured at different concentrations below the Km of this transport system and under conditions where transport was limited by the diffusion through maltoporin. We found no difference in the kinetics of lactose uptake irrespective of the malE allele. We conclude that the maltose-binding protein does not modulate the activity of maltoporin as a general outer membrane porin.
Conditions for Successful Community-based Water Management: Perspectives from Rural Uganda

Operation and maintenance of communally managed water infrastructure is still an uphill task despite over a decade of implementing community-based water management system in rural water provision in Uganda. Using mixed methods and Ostrom’s eight design principles as an analytical framework, this article examines the relevance of the design principles in explaining the success and failure of collective self-management institutions in determining sustainable access to safe water in Uganda. The findings show that, to a large extent, the differences in water infrastructure management effectiveness in the two study communities are explained by the existence or absence of the organizational characteristics prescribed by the design principles. The results further highlight additional factors that are critical for successful community-based water management which are not explicitly covered by the design principles. This implies, therefore, that the design principles should not be used as a ‘blueprint’ on resource management regimes especially in developing countries.
Osteoprotegerin is independently associated with metabolic syndrome and microvascular complications in type 2 diabetes mellitus

Aims: Osteoprotegerin (OPG) is a glycoprotein from tumour necrosis factor receptor superfamily, responsible for osteoclastogenesis inhibition and associated with arterial calcification and stiffness. We describe the association between metabolic syndrome (MS) and OPG in type 2 diabetes mellitus patients. Methodology: We consecutively enrolled 1220 patients from our institution’s Diabetes Centre from August 2011. Anthropometric data such as fasting blood/urine were obtained, and OPG was measured by enzyme-linked immunosorbent assay (ELISA). Results: Mean (standard deviation (SD)) of age and diabetes duration was 57.4 (10.9) years and 11.2 (8.9) years, respectively. Prevalence of MS was 64.3% (95% confidence interval (CI): 61.3%–67.2%) and associated with significantly higher OPG (5.44 vs 4.47 pmol/L) and microvascular complications. The presence of microvascular complications was associated with higher OPG: nephropathy (5.54 (2.20) vs 4.65 (1.70) pmol/L, p < 0.0001), neuropathy (6.33 (2.64) vs 5.06 (1.91) pmol/L, p < 0.0001) and retinopathy (6.08 (2.47) vs 5.00 (1.95) pmol/L, p < 0.0001). After adjusting for age, gender, ethnicity, glucose and microvascular complications, OPG remained an independent predictor of MS: (odds ratio (OR) = 1.102 (95% CI: 1.015–1.196), p = 0.021). Conclusion: Higher OPG levels were associated with risk of MS and microvascular complications. Studies are needed to test whether OPG could be a useful biomarker identifying patients at risk of vascular complications and whether further exploration of this pathway may lead novel therapeutic options.
The Impact of the Great Recession of 2009 to 12 on the US Tourism Industry and Firm Performance

This paper empirically examines the effect of the Great Recession of 2009 to 12 on the US tourism industry and firm performance. The daily equity index and firm performance data are collected from the 30 selected US tourism firms during the period of 2005 to 12. Applying the joint test of contagion, proposed by Fry-McKibbin, Hsiao and Martin (2017), to test for contagion in the US tourism firms, the results show that the Great Recession of 2009 to 12 has a direct and significant impact on the US tourism industry and tourism firm performance. Specifically, concurrently with the major events (e.g., the European debt crisis), that occurred during the crisis, more than 85% of the US tourism firms on average are affected by this crisis. At the firm performance, the results show that the crisis severity index negatively correlates with liquidity, profitability, growth, turnover ratios, but positively correlates with leverage ratios. Furthermore, the results indicate that the liquidity, profitability and growth ratios play a more important role than turnover and leverage ratios in explaining the crisis transmission during the Great Recession of 2009 to 12. The findings offer practical value to help tourism firms monitor and control their performance measures to prepare for future economic downturns.
Microdata Evidence on the Empirical Importance of Selection Effects in Menu‐Cost Models

We use microdata on product prices linked to information on the producing firms that set them to study to what extent the timing of price changes reacts to changes in marginal cost. This self‐selection of price changes is a key feature in the canonical Menu‐Cost model a la Golosov and Lucas Jr. (2007), which may generate near monetary neutrality (Golosov and Lucas Jr. 2007, Karadi and Reiff 2016), but is absent in the Calvo (1983) model. We find that the microdata strongly favors the Calvo (1983) model. Thus, upstream in the supply chain, price setting is best characterized by a very low degree of self‐selection into price changes.
Patellar Component Resection in Revision and Reimplantation Total Knee Arthroplasty

Between 1979 and 1995, 34 knees in 31 patients had a revision or reimplantation total knee arthroplasty in which the patellar component could not be reinserted. The patellar bone stock in each of those cases was compromised markedly and precluded adequate prosthetic fixation. The mean followup after the revision operation was 3.5 years (range, 2-14 years). The Knee Society knee score improved from a mean of 59 points preoperatively to a mean of 75 points postoperatively. The function score improved from a mean of 46 points preoperatively to a mean of 69 points postoperatively. Complications occurred in five patients: one patient sustained a patellar fracture that required no additional treatment; one experienced intermittent episodes of patellar subluxation; one had a recurvatum deformity develop and was treated with a brace; one had persistent knee stiffness and had four manipulations: and one patient had an extensor lag of 30° develop. Twenty-six patients were satisfied with the results of their revision operations and five were dissatisfied. Ten patients had persistent knee symptoms referable to the patellofemoral articulation: mild pain in three; moderate pain in six; and severe pain in one. This study suggests that resection of the patellar component during revision or reimplantation total knee arthroplasty may be a reasonable approach for patients with markedly compromised patellar bone stock; however, mild or moderate anterior knee pain can be expected to persist in as much as ⅓ of these patients.
In Vitro Susceptibility of Pathogenic Naegleria and Acanthamoeba Species to a Variety of Therapeutic Agents

Six pathogenic strains of Naegleria fowleri, two of Acanthamoeba castellanii, and three of Acanthamoeba polyphaga were tested in vitro for susceptibility to a variety of potentially useful therapeutic agents. Minimal motility inhibitory concentrations and minimal inhibitory concentrations were determined by a technique of subculturing pure clones of amoebae in plastic tissue culture chamber slides containing liquid axenic media and serially diluted drug, incubating at 30°C for Acanthamoeba and at 37°C for Naegleria, and observing on an inverted microscope at 6 h for inhibition of motility and at 24 and 48 h for inhibition of growth. Drug concentrations were selected on the basis of fluid levels achievable in humans. Amphotericin B, clotrimazole, and miconazole were the most effective drugs against Naegleria, whereas polymyxin B sulfate and pentamidine isethionate were somewhat effective against pathogenic Acanthamoeba. Our results suggest that amphotericin B is the most effective agent against Naegleria, but few agents are effective against Acanthamoeba.
Cryptococcus neoformans Cells in Biofilms Are Less Susceptible than Planktonic Cells to Antimicrobial Molecules Produced by the Innate Immune System

ABSTRACT The human pathogenic fungus Cryptococcus neoformans can form biofilms on polystyrene plates and medical devices in a process that requires capsular polysaccharide release. Although biofilms are known to be less susceptible to antimicrobial drugs, little is known about their susceptibility to antimicrobial molecules produced by the innate immune system. In this study, we investigated the susceptibility of C. neoformans cells in biofilm and planktonic states to oxidative and nonoxidative antimicrobial molecules produced by phagocytic cells. The effects of various immune effector molecules on the fungal mass, metabolic activity, and architecture of C. neoformans biofilms were measured by colony counts, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino) carbonyl]-2H-tetrazolium hydroxide reduction, and confocal microscopy, respectively. Biofilms were more resistant than planktonic cells to oxidative stress but remained vulnerable to cationic antimicrobial peptides. However, melanized biofilms were significantly less susceptible to antimicrobial peptides than nonmelanized biofilms. These results suggest that the biofilm phenotype increases resistance against host immune mechanisms, a phenomenon that could contribute to the ability of biofilm-forming microbes to establish persistent infections.
Application of a new robust ECG T-wave delineation algorithm for the evaluation of the autonomic innervation of the myocardium

T-wave amplitude (TWA) is a well know index of the autonomic innervation of the myocardium. However, until now it has been evaluated only manually or with simple and inefficient algorithms. In this paper, we developed a new robust single-lead electrocardiogram (ECG) T-wave delineation algorithm that is able to detect the T-wave with a wavelet based method and automatically calculate the TWA. We evaluated the algorithm on the QT database, achieving a sensitivity of 99.92% for the T wave peak and 99.38% for the T wave end. In addition, the percentage of records automatically delineated with high precision was higher than previous published works. Finally, the algorithm was applied to study the influence of anticholinergic and antiadrenergic drugs (i.e. atropine and metoprolol) on the TWA. It was observed that atropine significantly decreased the TWA when compared to baseline level, that head-up tilt caused a decrease of TWA and that metoprolol blunted this decrease. Through the development of a robust algorithm, this study opens the way for further research on the T-wave analysis for the assessment of the autonomic innervation of the ventricular myocardium.
Diagnosis of invasive candidiasis by detection of mannan antigen by using the avidin-biotin enzyme immunoassay

The diagnosis of invasive candidiasis was attempted by detection of circulating mannan antigen by using an avidin-biotin-amplified enzyme-linked immunosorbent assay (AB-ELISA), and this method was compared with the conventional culture method. Mannan antigen was detected by AB-ELISA in the sera of 16 (84.2%) of the 19 patients with invasive candidiasis. On the other hand, for 34 immunocompromised candidiasis-free patients, including 8 with aspergillosis or cryptococcosis, mannan antigen was positive during only 1 of the 67 febrile episodes and in the serum of none of the 50 outpatients without infections. The results were also negative for all patients with deep-seated mycoses other than candidiasis. However, the mannan level was low (less than 2.0 ng/ml) in the serum of 63.2% of the patients with invasive candidiasis. The positivity rate of blood cultures was 31.6%, and that of blood cultures and/or cultures of samples from sterile sites combined was 47.4%. The advantages of the diagnosis based on antigen detection by AB-ELISA are considered to be a higher sensitivity and elimination of nonspecific reactions by the introduction of the avidin-biotin system and pretreatment of sera by heating. In addition, it is considered essential for high sensitivity that transient mannan antigenemia be determined frequently so that it is not overlooked. In light of its sensitivity and specificity, this method is considered to be clinically useful in the diagnosis of invasive candidiasis.
Calendar seasonality in the Irish equity market : 1988-1998

Detection of 'anomalies', empirical regularities that are inexplicable within a preeminent or accepted paradigm, is a key aspect of the operation of scientific endeavour. The dominant theories of financial economics, those deriving from the CAPMI APT literature, hold that there should not exist persistent differences in the returns to assets across calendar frequencies. An extensive review of the literature reveals that in a wide variety of assets and markets there is evidence that returns differ according to the calendar frequency, in particular across days of the week and months of the year and around recurrent holidays. However, this review also reveals considerable room for increased methodological and statistical sophistication. In particular, the nature and extent of the data indicate that techniques based on robust regression, non-parametric statistics and Bayesian inference are more appropriate than the predominantly OLS based approaches displayed in the literature. Papers that adopt these more sophisticated approaches generally find much weaker evidence for such calendar anomalies. In essence, the Irish Stock Exchange operated free from exchange controls and in a broadly homogenous monetary and economic environment from 1988 to 1998. Daily returns from 1988 to 1998, on official equity indices, and from 1993 to 1998 on equal and value weighted equity indices, are examined. The evidence is that even when more sophisticated and appropriate techniques are used there is still some evidence for a daily pattern in the returns to these indices. However this pattern is dissimilar to that found elsewhere, consisting of a midweek positive peak as opposed to the more commonly found low returns at the start of the week and higher returns on Friday. This pattern is not a function of the settlement system, does not appear to be related to the pattern of either microeconomic (firm-specific) or macroeconomic infonnation releases, nor does it appear to be a function of endogenous news generation. Previous international research indicates a January peak in returns, while previous research on the Irish market had also fOlUld an April peak. While the investigation here of the monthly pattern of returns confinns, in a statistically and methodologically robust manner, the January peak no evidence is found of an April peak. Examination of the return pattern around exchange ho lidays indicates that, in common with other markets referenced in the literature, there is a rise in returns before a holiday. However, on decomposition into local and international components we find that although the local effect is strong this effect is negative, which is a major point of departure from previous research findings.
Australian students’ activity preferences, perceived physical risk and interest in vacationing in Japan

The purpose of this study was to identify Australian students’ activity preferences, perceived physical risk and interest in Japan as a vacation destination. Based on a sample of 422 Australian students, five activity factors were determined. These were labeled as cultural, outdoor, excitement, built attractions and personal. Australian students were extremely interested in vacationing in Japan and they generally perceived few physical risks of a Japanese vacation. Hygiene risk significantly contributed to variance in interest in vacationing in Japan. Four activity types significantly contributed to interest in travel to Japan and perceived physical risk did not mediate the activity preference and interest relationship. Theoretical and practical implications for this research are outlined and limitations and opportunities for future research are provided.
The treatment of depression with different formulations of venlafaxine: a comparative analysis

Venlafaxine is the first of a group of antidepressants that show dual reuptake inhibition of serotonin and noradrenaline (SNRIs). Originally marketed in an immediate release (IR) formulation a microencapsulated, extended release (XR) formulation is now available. Significant differences exist between these two formulations with respect to pharmacokinetic parameters which have an impact on clinical use. The XR has lower maximum plasma concentrations (Cmax) and achieves these at a later time (higher Tmax). The longer apparent elimination half‐life of the drug after single XR doses suggests that it is suitable for once daily dosing compared with the twice daily dosing regimen required by the IR formulation. With respect to antidepressant efficacy the XR formulation is equivalent to other marketed antidepressants and to the IR formulation. Consistent with its pharmacokinetic properties the use of the XR formulation is associated with less nausea and dizziness at the initiation of therapy. While in clinical usage XR might be expected to increase compliance with medication and to reduce discontinuation syndromes there are few comparative studies for which this has been evaluated. The XR formulation of venlafaxine is no worse than the IR form with respect to tolerability and offers some benefits to patients in terms of ease of use. On the other hand there does not appear to be any increase in the efficacy of the active agent. Copyright © 2004 John Wiley & Sons, Ltd.