Miracle-dz/UniFAR-FTUs huggingface dataset:
Effects of Al-Impurity Type on Formation Energy, Crystal Structure, Electronic Structure, and Optical Properties of ZnO by Using Density Functional Theory and the Hubbard-U Method

We systematically investigated the effects of Al-impurity type on the formation energy, crystal structure, charge density, electronic structure, and optical properties of ZnO by using density functional theory and the Hubbard-U method. Al-related defects, such as those caused by the substitution of Zn and O atoms by Al atoms (Als(Zn) and Als(O), respectively) and the presence of an interstitial Al atom at the center of a tetrahedron (Ali(tet)) or an octahedron (Ali(oct)), and various Al concentrations were evaluated. The calculated formation energy follows the order Ef(Als(Zn)) < Ef(Ali(tet)) < Ef(Ali(oct)) < Ef(Als(O)). Electronic structure analysis showed that the Als(Zn), Als(O), Ali(tet), and Ali(oct) models follow n-type conduction, and the optical band gaps are higher than that of pure ZnO. The calculated carrier concentrations of the Als(O) and Ali(tet)/Ali(oct) models are higher than that of the Als(Zn) model. However, according to the curvature of the band structure, the occurrence of interstitial Al atoms or the substitution of O atoms by Al atoms results in a high effective mass, possibly reducing the carrier mobility. The average transmittance levels in the visible light and ultraviolet (UV) regions of the Als(Zn) model are higher than those of pure ZnO. However, the presence of an interstitial Al atom within the ZnO crystal reduces transmittance in the visible light region; Als(O) substantially reduces the transmittance in the visible light and UV regions. In addition, the properties of ZnO doped with various Als(Zn) concentrations were analyzed.
The “Traditions” Revisited: Instructional Approach and High School Social Studies Teachers

Abstract The purpose of this investigation was to explore and characterize the instructional approaches of US high school social studies teachers according to Martorella's “alternative perspectives on citizenship education” framework. The study was based on a national survey of 500 high school social studies teachers holding membership in the National Council for the Social Studies. The major finding was that the research subjects identified more strongly with the instructional approaches of social studies as reflective inquiry, social studies as informed social criticism, and social studies as personal development than with the approaches of social studies as citizenship transmission and social studies as social science. Implications are addressed relative to previous findings and future research.
Use of failure mode, effect and criticality analysis to improve safety in the medication administration process.

RATIONALE, AIMS AND OBJECTIVES To critically evaluate the causes of preventable adverse drug events during the nurse medication administration process in inpatient units with computerized prescription order entry and profiled automated dispensing cabinets in order to prioritize interventions that need to be implemented and to evaluate the impact of specific interventions on the criticality index. METHODS This is a failure mode, effects and criticality analysis (FMECA) study. A multidisciplinary consensus committee composed of pharmacists, nurses and doctors evaluated the process of administering medications in a hospital setting in Spain. By analysing the process, all failure modes were identified and criticality was determined by rating severity, frequency and likelihood of failure detection on a scale of 1 to 10, using adapted versions of already published scales. Safety strategies were identified and prioritized. RESULTS Through consensus, the committee identified eight processes and 40 failure modes, of which 20 were classified as high risk. The sum of the criticality indices was 5254. For the potential high-risk failure modes, 21 different potential causes were found resulting in 24 recommendations. Thirteen recommendations were prioritized and developed over a 24-month period, reducing total criticality from 5254 to 3572 (a 32.0% reduction). The recommendations with a greater impact on criticality were the development of an electronic medication administration record (-582) and the standardization of intravenous drug compounding in the unit (-168). Other improvements, such as barcode medication administration technology (-1033), were scheduled for a longer period of time because of lower feasibility. CONCLUSION FMECA is a useful approach that can improve the medication administration process.
Studies of the biogenic amine transporters. 10. Characterization of a novel cocaine binding site in brain membranes prepared from dopamine transporter knockout mice

Previous work suggested that the cocaine analog [125I]RTI‐55 labels a novel binding site in rat brain membranes, which is not associated with the dopamine (DA), serotonin (5‐HT), or norepinephrine (NE) transporters [Rothman et al. 1995 J Pharmacol Exp Ther 274:385–395]. Here, we tested whether this site is a product of the DA transporter (DAT) gene. We used a T‐antigen knock‐in at the DAT gene that results in an effective DAT knock‐out (KO) confirmed by Southern blot, DAT immunohistochemistry, and [125I]RTI‐55 ligand binding. Brain membranes were prepared from frozen whole brain minus caudate of wild‐type (WT) B6/Sv129, +/+ and −/− (KO) mice. KO mice were used at approximately 23 days of age. Binding surface analysis of [125I]RTI‐55 binding to membranes prepared from the brains of WT mice, with 100 nM citalopram to block binding to the 5‐HT transporter (SERT), revealed two binding sites: the DAT and a second site, replicating previous studies conducted with rat brains. In the absence of the DAT (−/− mice), binding surface analysis demonstrated that [125I]RTI‐55 labeled two sites: the NET and a second site called site “X. ” Structure–activity studies of site “X” demonstrated that high‐affinity ligands for the DAT, NET, and SERT have low or negligible affinity for site “X. ” The relatively high density of site “X” in brain membranes and the fact that the Ki values of cocaine and cocaethylene for site “X” are in the range achieved in the brain following cocaine administration suggests that site “X” could contribute to the pharmacological or toxicological effects of cocaine. Further progress in delineating the function of site “X” will depend on developing potent and selective agents for this site. Synapse 44:94–105, 2002. Published 2002 Wiley‐Liss, Inc.
The vasostatin‐1 fragment of chromogranin A preserves a quiescent phenotype in hypoxia‐driven endothelial cells and regulates tumor neovascularization

The angiogenic switch is a fundamental process for many diseases and for tumor growth. The main proangiogenic stimulus is hypoxia, through activation of the hypoxia‐inducible factor (HIF)‐1α pathway in endothelial cells (ECs). We have previously shown that the vasostatin‐1 (VS‐1) fragment of chromogranin A inhibits TNF‐α‐induced vessel permeability and VEGF‐induced EC proliferation, together with migration and matrix invasion, which are all critical steps in angiogenesis. The present study was undertaken to investigate the effect of VS‐1 on tumor angiogenesis. We found mouse mammary adenocarcinomas (TS/A), genetically engineered to secrete VS‐1 (TS/A 1B8), to be characterized by reduced vascular density and more regular vessels, compared with nontransfected tumors [TS/A wild type (WT)]. Supernatants from TS/A WT cells, but not those from TS/A 1B8, generated tip cells and promoted the permeability of primary human umbilical vein ECs, via VE‐cadherin redistribution and cytoskeletal disorganization. These effects were abrogated by mAb 5A8, a VS‐1‐blocking antibody. Furthermore, VS‐1 inhibited hypoxia‐driven EC morphological changes, VE‐cadherin redistribution, intercellular gap formation, tube morphogenesis, and HIF‐1α nuclear translocation in vitro. Our findings highlight a previously undescribed function of VS‐1 as a regulator of tumor vascularization. —Veschini, L. , Crippa, L. , Dondossola, E. , Doglioni, C. , Corti, A. , Ferrero, E. The vasostatin‐1 fragment of chromogranin a preserves a quiescent phenotype in hypoxia‐driven endothelial cells and regulates tumor neovascularization. FASEB J. 25, 3906–3914 (2011). www.fasebj. org
Some Effects of a Personalized System of Instruction in Teaching College Mathematics.

AbstractThe effect of using a P.S. I. approach to teach college mathematics, the role of a final examination and the use of students as tutors in such procedures was investigated. Students were assigned to a mastery approach which used students as proctors, to a mastery approach without students as proctors, or to a lecture control group. Within each group students were randomly assigned to have their final exam score count or not count towards their grade in the course. Scores on the final were not significantly different for those in the three treatment groups. Students for whom the final counted had significantly higher scores on the final and reported studying more than did their controls. No advantages whatsoever to serving as a proctor were found. No differences dependent upon treatment were found in those who dropped out, but those in the P.S. I. groups who completed the course had lower pretest scores than those in the control group who finished the course.
Acute Glutathione Depletion Restricts Mitochondrial ATP Export in Cerebellar Granule Neurons*

Decreases in GSH pools detected during ischemia sensitize neurons to excitotoxic damage. Thermodynamic analysis predicts that partial GSH depletion will cause an oxidative shift in the thiol redox potential. To investigate the acute bioenergetic consequences, neurons were exposed to monochlorobimane (mBCl), which depletes GSH by forming a fluorescent conjugate. Neurons transfected with redox-sensitive green fluorescent protein showed a positive shift in thiol redox potential synchronous with the formation of the conjugate. Mitochondria within neurons treated with mBCl for 1 h failed to hyperpolarize upon addition of oligomycin to inhibit their ATP synthesis. A decreased ATP turnover was confirmed by monitoring neuronal oxygen consumption in parallel with mitochondrial membrane potential (Δψm) and GSH-mBCl formation. mBCl progressively decreased cell respiration, with no effect on mitochondrial proton leak or maximal respiratory capacity, suggesting adequate glycolysis and a functional electron transport chain. This approach to “state 4” could be mimicked by the adenine nucleotide translocator inhibitor bongkrekic acid, which did not further decrease respiration when administered after mBCl. The cellular ATP/ADP ratio was decreased by mBCl, and consistent with mitochondrial ATP export failure, respiration could not respond to an increased cytoplasmic ATP demand by plasma membrane Na+ cycling; instead, mitochondria depolarized. More prolonged mBCl exposure induced mitochondrial failure, with Δψm collapse followed by cytoplasmic Ca2+ deregulation. The initial bioenergetic consequence of neuronal GSH depletion in this model is thus an inhibition of ATP export, which precedes other forms of mitochondrial dysfunction.
Keeping Women in the Science Pipeline

Premier science largely depends on the quality of the pool of future scientists. Women now represent a large part of the talent pool in the United States, but many data sources indicate that they are more likely than men to “leak” out of the science pipeline before obtaining tenure at a college or university. The authors’ research examines this issue in detail, drawing on multiple sources, including the Survey of Doctorate Recipients and several original surveys. Their findings show that family formation—most important marriage and childbirth—accounts for the largest leaks in the pipeline from graduate school to the acquisition of tenure for women in the sciences. The authors also find that researchers receive limited benefits when it comes to family responsive policies, such as paid maternity and parental leave, and that young scientists receive the least. Together, federal agencies and universities can make headway in solving this systemic problem.
The effects of meiosis activating sterol on in-vitro maturation and fertilization of human oocytes from stimulated and unstimulated ovaries.

The object of this study was to assess functional maturation in vitro by obtaining data on the fertilization and embryonic competence of human oocytes with or without exposure to meiosis activating sterol (MAS) during maturation in vitro. Immature oocytes were either collected from unstimulated patients with polycystic ovaries (PCO) during gynaecological surgery, or were donated by patients undergoing a cycle of intracytoplasmic sperm injection (ICSI) treatment including ovarian stimulation with gonadotrophins. PCO oocytes had variable cumulus cover, which was retained during culture while those from ICSI patients were cultured without cumulus. The study included 119 oocytes from PCO patients and 72 from ICSI patients. The oocytes were allowed to mature in vitro for up to 46 h in the presence or absence of MAS. Mature oocytes were inseminated by ICSI with fertile donor spermatozoa and embryo development was monitored in vitro. MAS (30 microg/ml) significantly increased the survival of oocytes from PCO patients (P < 0.01) but did not significantly affect the proportion completing maturation in vitro. For the ICSI patients, >90% of oocytes survived in all culture groups, regardless of MAS addition, however MAS (10 or 30 microg/ml) significantly increased the proportion of oocytes maturing in vitro (P < 0.05). The apparent tendency towards improved subsequent development in vitro will require larger numbers of oocytes for evaluation. Oocytes from ICSI patients matured more rapidly in vitro than those from PCO patients. Our results show positive effects of MAS on human oocytes, confirming previous data in mice. This work may have implications for the future clinical application of IVM.
Development of Hot and Cold Executive Function in Boys and Girls With ADHD

Objective: To investigate the development of executive function with pronounced emotional salience (hot EF) and less pronounced emotional salience (cold EF) in boys and girls with ADHD relative to typically developing (TD) children. Method: Seventy-five children with ADHD and 47 TD children were assessed with hot and cold EF tests at baseline and after 2 years. Results: Despite considerable maturation, the ADHD group remained impaired on all cold EF tests relative to TD children after 2 years. There was no effect of gender on cold EF test results. Females with ADHD outperformed TD counterparts on hot EF at baseline. Females with ADHD showed deteriorating hot EF performance, while TD counterparts showed improved hot EF performance across time. Conclusion: Enduring cold EF impairments after 2 years may reflect stable phenotypic traits in children with ADHD. Results indicate divergent developmental trajectories of hot EF in girls with ADHD relative to TD counterparts.
Who Adopts Girls and Why? Domestic Adoption of Female Children in Contemporary Rural China

The number of domestic adoptions of girls in rural China has been rising since the inauguration of the one-child policy in 1979. On the one hand, this rise reflects the increasing availability of girls for adoption, as some parents who desire a son abandon baby girls, but it also relates to the desire of other parents to incorporate adopted daughters into their families. This article examines the social dynamics around adopting girls. It analyses the social forces that contribute to both the abandonment and the adoption of girls in rural China, with particular reference to the birth control policy.
ECNU at 2015 CDS Track: Two Re-ranking Methods in Medical Information Retrieval

This paper summarizes our work on the TREC 2015 Clinical Decision Support Track. We present a customized learningto-rank algorithm and a query term position based re-ranking model to better satisfy the tasks. We design two learning-to-rank framework: the pointwise loss function based on random forest and the pairwise loss function based on SVM. The position based re-ranking model is composed of BM25 and a heuristic kernel function which integrates Gaussian, triangle, cosine and the circle kernel function. Furthermore, the Web-based query expansion method is utilized to improve the quality of the queries.
Understanding Addictive Vulnerability: An Evolving Psychodynamic Perspective

In contrast to early psychoanalytic theory, which stressed pleasurable/aggressive drives and the symbolic meaning of drugs to explain their appeal, a modern psychodynamic perspective of substance-use disorders (SUDs) places greater emphasis on intolerable painful or confusing affects that make addictive drugs compelling. A psychotherapeutic relationship rooted in a psychodynamic approach yields valuable data on the nature of a person’s distress and deficits in psychological (ego/self) structures that predispose individuals to addiction. An evolving psychodynamic perspective, spanning 30 years, is presented wherein addictions have been considered as (1) a special adaptation, (2) an attempt to self-medicate painful or confusing emotions, (3) an overarching problem in self-regulation, and finally (4) a reflection of disorder in personality organization. This evolving perspective more likely than not should and does complement and resonate with other perspectives. A modern psychodynamic perspective of SUDs adds an important dimension to unraveling the biopsychosocial equation involved in understanding addictive vulnerability.
Genetic deletion of ABP-120 alters the three-dimensional organization of actin filaments in Dictyostelium pseudopods

This study extends the observations on the defects in pseudopod formation of ABP-120+ and ABP-120- cells by a detailed morphological and biochemical analysis of the actin based cytoskeleton. Both ABP-120+ and ABP-120- cells polymerize the same amount of F-actin in response to stimulation with cAMP. However, unlike ABP-120+ cells, ABP-120- cells do not incorporate actin into the Triton X-100-insoluble cytoskeleton at 30-50 s, the time when ABP-120 is incorporated into the cytoskeleton and when pseudopods are extended after cAMP stimulation in wild-type cells. By confocal and electron microscopy, pseudopods extended by ABP- 120- cells are not as large or thick as those produced by ABP-120+ cells and in the electron microscope, an altered filament network is found in pseudopods of ABP-120- cells when compared to pseudopods of ABP-120+ cells. The actin filaments found in areas of pseudopods in ABP- 120+ cells either before or after stimulation were long, straight, and arranged into space filling orthogonal networks. Protrusions of ABP-120- cells are less three-dimensional, denser, and filled with multiple foci of aggregated filaments consistent with collapse of the filament network due to the absence of ABP-120-mediated cross-linking activity. The different organization of actin filaments may account for the diminished size of protrusions observed in living and fixed ABP-120- cells compared to ABP-120+ cells and is consistent with the role of ABP- 120 in regulating pseudopod extension through its cross-linking of actin filaments.
The role of friction in the measurement of slipperiness, Part 2: Survey of friction measurement devices

This paper seeks to address questions related to friction measurement such as how friction is related to human-centred assessment and actual slipping, and how repeatable friction measurements are. Commonly used devices for slipperiness measurement are surveyed and their characteristics compared with suggested test conditions from biomechanical observations summarized in Part 1. The issues of device validity, repeatability, reproducibility and usability are examined from the published literature. Friction assessment using the mechanical measurement devices described appears generally valid and reliable. However, the validity of most devices could be improved by bringing them within the range of human slipping conditions observed in biomechanical studies. Future studies should clearly describe the performance limitations of any device and its results and should consider whether the device conditions reflect these actual human slipping conditions. There is also a need for validation studies of more devices by walking experiments.
The characterization of pretreated lignocellulosic substrates prior to enzymatic hydrolysis, part 1: A modified Simons' staining technique

To date, there is limited knowledge available regarding the key features of pretreated lignocellulosic substrates that promote the effective enzymatic hydrolysis of the cellulose component to glucose during bioconversion processes to produce ethanol. Fundamentally, cellulase enzymes require access to the cellulose to carry out effective hydrolysis. Porosity and the overall surface area of substrates have major structural features influencing the hydrolysis of pretreated substrates by cellulases. Simons' Stain (SS) is a potentially useful semiquantitative method for estimating the available surface area of lignocellulosic substrates. In this study, a modified, rapid SS method was developed, where the processing time was decreased from >50 to 6 h and the maximum dye adsorbed on the substrate was calculated using the adsorption isotherm for the orange and blue components of the dye mixture. The modified SS test readily measures the decrease in accessibility and hydrolyzability of a steam pretreated substrate that had been dried under three different drying regimes. For each of the lignocellulosic substrates, the total dye adsorption correlated well with the hydrolysis yields resulting in a correlation coefficient of r2 = 0.95. The modified SS procedure is an effective tool for assessing how lignocellulosic substrates might be potentially hydrolyzed by cellulases.
A Multilevel Model for Measuring Fit Between a Firm's Competitive Strategies and Information Systems Capabilities

To compete in a highly dynamic marketplace, firms must frequently adapt and align their competitive strategies and information systems. The dominant literature on the strategic fit of a firm's information systems focuses primarily on high-level measures of the strategic fit of a firm's overall IS portfolio and the impact of fit on business performance. This paper addresses the need for a more fine-grained approach for assessing the specific areas of misfit between a firm's competitive strategies and IS capabilities. We describe the design and evaluation of a multilevel strategic fit (MSF) measurement model that enables researchers and practitioners to measure the strategic fit of a firm's information systems at both an overall and a detailed level. The steps in the model include identifying the relevant IS capabilities according to the type of system; measuring the current level of support for each capability using a capabilities instrument; identifying the ideal level of support for each capability using an adaptation of Conant et al.'s (1990) instrument to assess strategic archetype; and comparing the ideal and realized level of support for each capability. Evidence from a multiple case study analysis indicates that the fine-grained assessment of strategic fit can strengthen the validity, utility, and ease of corroboration of the strategic fit measurement outputs. The paper also demonstrates how an iterative design science research approach, with its emphasis on evaluating the utility of prototype artifacts, is well suited to developing field-tested and theoretically grounded measurement models and instruments that are accessible to practitioners. This focus on practical utility in turn provides researchers with results that can be more readily corroborated, thus improving the quality and usefulness of the research findings.