Miracle-dz/UniFAR-FTUs huggingface dataset:
Ab initio studies of

Ab initio calculations of the [1,5]-H shift in (3Z)-penta-1,3-diene and other substituted pentadienes and heteroanalogues using the hybrid density functional Becke3LYP with the 6-31G basis set are presented. Electron-donating substituents, such as methoxy in (3Z)-3-methoxypenta-1,3-diene 1, or heteroatoms such as a nitrogen atom in (Z)-ethylidenevinylamine 2, (1Z)-buta-1,3-dienylamine 3, (2Z)-but-2-enylideneamine 4, (Z)-allylidenemethylamine 5, and methylene-(Z)-propenylamine 6 are introduced. The electron-withdrawing fluoride is substituted for the hydrogen atoms in (3Z)-3-fluoropenta-1,3-diene 7, (3Z)-2,4-difluoropenta-1,3-diene 8, (3Z)-1,1',2,3,4,5,5'-heptafluoropenta- 1,3-diene 10, (1E,3E)-1,3,5-trifluoropenta-1,3-diene 11, and (1Z,3E)-1,3,5- trifluoropenta-1,3-diene 13. A detailed analysis of the geometries, energies, and electronic characteristics of the sigmatropic transposition compared to those of the unsubstituted case provides insights into substituent effects of this prototype of pericyclic reaction. The inductive and mesomeric effects of heteroatoms or heterosubstituents are of a great importance and in a continuous balance in the energetics of the transformation. Sterics can also play an important role due to the geometrical constraints of the reaction. As a general trend, decreasing the electron density of the phi system destabilizes the aromatic transition structure and increases the activation energy, and vice versa.
Vaccination in Hajj: An Overview of the Recent Findings

Background: About two million people annually travel to Kingdom of Saudi Arabia to perform Hajj. The pilgrims may be at risk of exposure to communicable diseases in this mass gathering and their vaccination against contagious diseases can prevent many morbidities and mortalities. The aim of our study was to review the papers which evaluated effectiveness and compliance of the vaccines applied in Hajj. Methods: We used PubMed and Scopus to search international medical databases. The key words were as follows: Hajj, Haj, vaccine, vaccination, and immunization. The time interval of the search was from the beginning of 2010 to May 23, 2016. One hundred and thirty papers were extracted, and their contents were subsequently reviewed after title and abstract screenings. The original articles were included in the study and non-English articles were excluded from the study. Results: Considering the extracted papers, almost all pilgrims were vaccinated against meningococcal diseases. Using of influenza and pneumococcal vaccine rates were different among the pilgrims. The other vaccines have been taking according to specific conditions. Conclusions: The findings regarding influenza vaccine effectiveness are contradictory. A few studies confirmed the flu vaccine effectiveness while some others rejected its usefulness. Meningococcal immunization is an effective preventive tool with high compliance for Hajj pilgrims. Further investigations are recommended for the other vaccines.
Protein Kinase C-ζ Phosphorylates Insulin Receptor Substrate-1 and Impairs Its Ability to Activate Phosphatidylinositol 3-Kinase in Response to Insulin*

Protein kinase C-ζ (PKC-ζ) is a serine/threonine kinase downstream from phosphatidylinositol 3-kinase in insulin signaling pathways. However, specific substrates for PKC-ζ that participate in the biological actions of insulin have not been reported. In the present study, we identified insulin receptor substrate-1 (IRS-1) as a novel substrate for PKC-ζ. Under in vitro conditions, wild-type PKC-ζ (but not kinase-deficient mutant PKC-ζ) significantly phosphorylated IRS-1. This phosphorylation was reversed by treatment with the serine-specific phosphatase, protein phosphatase 2A. In addition, the overexpression of PKC-ζ in NIH-3T3IR cells caused significant phosphorylation of cotransfected IRS-1 as demonstrated by [32P]orthophosphate labeling experiments. In rat adipose cells, endogenous IRS-1 coimmunoprecipitated with endogenous PKC-ζ, and this association was increased 2-fold upon insulin stimulation. Furthermore, the overexpression of PKC-ζ in NIH-3T3IRcells significantly impaired insulin-stimulated tyrosine phosphorylation of cotransfected IRS-1. Importantly, this was accompanied by impaired IRS-1-associated phosphatidylinositol 3-kinase activity. Taken together, our results raise the possibility that IRS-1 is a novel physiological substrate for PKC-ζ. Because PKC-ζ is located downstream from IRS-1 and phosphatidylinositol 3-kinase in established insulin signaling pathways, PKC-ζ may participate in negative feedback pathways to IRS-1 similar to those described previously for Akt and GSK-3.
Effect on Intragastric pH of a PPI with a Prolonged Plasma Half-Life: Comparison between Tenatoprazole and Esomeprazole on the Duration of Acid Suppression in Healthy Male Volunteers

OBJECTIVE:To compare the inhibitory effect of a novel proton pump inhibitor (PPI), tenatoprazole 40 mg once daily, with esomeprazole 40 mg once daily on intragastric acidity.METHODS:A randomized, investigator-blind, two-way, crossover study was conducted in 30 healthy Helicobacter pylori negative male volunteers. Tenatoprazole 40 mg or esomeprazole 40 mg was administered once daily for 7 consecutive days with a 4-wk washout period between treatments. Ambulatory 24-h intragastric pH was recorded at baseline, after 7 days' treatment, and 3 and 5 days after treatment was stopped.RESULTS:At presumed steady-state (day 7), median 24-h pH values were 5.02 and 4.79 for tenatoprazole and esomeprazole, respectively. There was a significant difference between tenatoprazole and esomeprazole during the nocturnal period when mean pH was 4.64 ± 0.67 versus 3.61 ± 0.90, respectively (p < 0.0001), as well as a significantly higher mean percentage of time with pH >4 on tenatoprazole (72.5 ± 14.9 vs 62.2 ± 13.6, p < 0.0001). The effect of tenatoprazole was still present 5 days after treatment withdrawal especially during the night-time. The mean area under the plasma concentration–time curve and elimination half-time was significantly higher in the tenatoprazole group as compared with the esomeprazole group.CONCLUSION:Tenatoprazole 40 mg daily provides a prolonged duration of acid suppression and a shorter nocturnal acid breakthrough in healthy volunteers, even after stopping the drug. Thus, tenatoprazole may provide greater clinical efficacy for patients in whom a once daily PPI is ineffective. Further studies are indicated.
The Career Paths of Teachers: Implications for Teacher Supply and Methodological Lessons for Research.

these questions matter to various actors in the educational system, including school board members and superintendents evaluating the adequacy of teacher salaries and teacher recruitment budgets and college students assessing the potential attractiveness of careers in teaching. The primary sources of quantitative information for addressing these questions are teacher supply and demand models. In fact, numerical projections of the size of the impending teacher shortage or surplus, based on the National Center for Education Statistics'
Fingertip Reconstruction With a Flap Based on the Dorsal Branch of the Digital Artery at the Middle Phalanx: A Simple and Reliable Flap

Background It is of utmost importance for hand surgeons to rehabilitate injured fingertips aesthetically and functionally. The purpose of our study was to investigate the effect of the dorsal branch (DB) finger flap on fingertip reconstruction. Method We used the flap based on the DB of the proper digital artery for fingertip reconstruction in 3 patients at the primary stage. The size of the flaps ranged from 1.5 × 2.0 cm to 2.5 × 4.5 cm. Result The DB finger flaps in our series survived uneventfully during the follow-up period (range, 4–6 months). All the patients were contented with the aesthetic and functional outcomes of the flaps. The average static and moving 2-point discrimination of the flaps was 8.5 mm and 7.2 mm, respectively. Conclusion This sort of flap based on the DB of the proper digital artery was a simple and reliable alternative to reconstruct fingertip defects at the primary stage.
Making Connections for Themselves and Their Students: Examining Teachers’ Organization of World History

Abstract The ability to make connections is an important aspect of teaching history and a vital skill in our increasingly globalized world. This study examines how preservice and practicing teachers organize and connect world historical events and concepts for themselves and for instructional purposes. Findings are based on interviews with 2 card-sorting and think-aloud tasks. Analysis of card-sort maps found that participants made different kinds of connections that give insight into the types of knowledge needed for and the challenges involved with teaching world history. Participants were able to represent the most sophisticated historical processes when they discussed how to connect events to other events. All of the participants made fewer event-to-event connections in the second card-sort focused on instruction, and all but 1 changed the organizational scheme of the cards. This second finding indicates a shift in how participants represented their thinking of world history for themselves and how they might represent it for their students.
Fourier tracking of myocardial motion using cine‐PC data

A closed‐form integration method is derived and analyzed for computing motion trajectories from velocity field data, particularly as measured by phase contrast (PC) cine MR imaging. By modeling periodic motion as composed of Fourier harmonics and integrating the material velocity of the tracked point in the frequency domain, this method gives an unbiased trajectory estimate in the presence of white measurement noise and eddy current effects. When applied to cine PC data, the method can incorporate compensation for the frequency response of the cine interpolation, offering a further improvement on the tracking accuracy. In simulation and phantom studies, the estimated trajectories were in excellent agreement with the true trajectories. Encouraging results have also been obtained on data from volunteers.
Modifiers of the Equity Effect: Group Outcome and Causes for Individual Performance

Department of SociologyUniversity of Maryland, College ParkIn this article we use vignettes to investigate the implementation of an equityallocation scheme (to each according to contribution) for distributing rewards togroup members working independently on a collective task. The equity hypothesisis that information about individual contribution leads to an unequal (but equitable)division of rewards. Group outcome (success or failure) and an individual's standingon potential causes for performance outcome (ability, task difficulty, effort, andluck) were expected to modify the subjects' use of an equity allocation scheme.The results of two experiments supported the hypotheses. Target persons receivedmore rewards when they contributed more (the equity effect). In an interactionbetween contribution and group outcome, this effect was heightened when thegroup failed. Target persons with more ability (Experiment 1 only), more effort,and a more difficult task were rewarded more. Finally, both studies showed animbalance in the implementation of equity, in that the amount given to highcontributors was disproportionately greater than that withheld from equally polarizedlow contributors. The persistence of this phenomenon across design differencessuggests that the imbalance may be due to a perceived differential impact of highand low contributions.Allocating rewards for individual contri-butions to a group task is a problem found inmany different social settings. Teachers, par-ents, peers, and work supervisors frequentlymust decide how to distribute finite (and per-haps scarce) rewards among the group mem-bers. Because individual contributions vary indegree and kind, it may become necessary todecide on a reward allocation procedure thattakes into account these differences. In par-ticular, allocators may want to consider thegroup's final outcome, individual contribu-tions to the group performance, and potentialreasons for these contributions in choosing anallocation scheme. In this article, we investi-gate the effects of these factors on allocationsto a target member in a group effort; we ex-
Isoprenoid quinone content and cellular fatty acid composition of Campylobacter species

A total of 36 strains of Campylobacter species were examined for isoprenoid quinones and cellular fatty acids. The isoprenoid quinone content was determined by reverse-phase high-pressure liquid chromatography, and the fatty acids were determined by capillary gas-liquid chromatography. All Campylobacter species contained menaquinone-6 (2-methyl-3-farnesyl-farnesyl-1,4-naphthoquinone) and a methyl-substituted menaquinone-6 (2,[5 or 8]-dimethyl-3-farnesyl-farnesyl-1,4-napthoquinone) as the major isoprenoid quinones. The latter menaquinone has not been reported in other bacteria and may prove to be a useful chemical marker of Campylobacter species. Campylobacter jejuni and most Campylobacter coli were distinguished from other campylobacteria by the presence of a C19 cyclopropane acid, and Campylobacter sputorum subsp. mucosalis differed from other species by the presence of lauric acid.
Recurrent Supplementary Motor Area Syndrome Following Repeat Brain Tumor Resection Involving Supplementary Motor Cortex

BACKGROUND: Supplementary motor area (SMA) syndrome occurs after surgery involving the SMA and is characterized by contralateral hemiparesis with or without speech impairment (dependent on involvement of the dominant SMA), which is transient and characteristically resolves over the course of weeks to months. Recurrent SMA syndrome after repeat craniotomy has not been previously described. OBJECTIVE: To describe the presentation and clinical course of patients who developed recurrent SMA syndrome after redo resection of tumors involving the SMA. METHODS: We performed a retrospective review of 15 patients who underwent repeated resection of low-grade glioma from the superior and middle frontal gyrus. Of these patients, we identified 6 cases of recurrent SMA syndrome. RESULTS: Six patients had a documented SMA syndrome occurring after initial and subsequent resection of tumor in proximity to the SMA. Intraoperative localization of eloquent motor and language cortex was achieved in each patient by using a combination of somatosensory evoked potentials and electrocortical stimulation mapping. Location of tumor and extent of resection was examined with magnetic resonance imaging. CONCLUSION: This series demonstrates that recurrent SMA syndrome occurs in patients undergoing repeat resection of tumors involving the SMA. The presence of recurrent SMA syndrome provides support for reorganization of SMA function to adjacent ipsilateral cortex after resection. Patients with recurrent neoplasms of the SMA should be counseled on the possibility of recurrent SMA syndrome. ABBREVIATIONS: fMRI, functional magnetic resonance imaging SFG, superior frontal gyrus SMA, supplementary motor area
Ensemble Models of Neutrophil Trafficking in Severe Sepsis

A hallmark of severe sepsis is systemic inflammation which activates leukocytes and can result in their misdirection. This leads to both impaired migration to the locus of infection and increased infiltration into healthy tissues. In order to better understand the pathophysiologic mechanisms involved, we developed a coarse-grained phenomenological model of the acute inflammatory response in CLP (cecal ligation and puncture)-induced sepsis in rats. This model incorporates distinct neutrophil kinetic responses to the inflammatory stimulus and the dynamic interactions between components of a compartmentalized inflammatory response. Ensembles of model parameter sets consistent with experimental observations were statistically generated using a Markov-Chain Monte Carlo sampling. Prediction uncertainty in the model states was quantified over the resulting ensemble parameter sets. Forward simulation of the parameter ensembles successfully captured experimental features and predicted that systemically activated circulating neutrophils display impaired migration to the tissue and neutrophil sequestration in the lung, consequently contributing to tissue damage and mortality. Principal component and multiple regression analyses of the parameter ensembles estimated from survivor and non-survivor cohorts provide insight into pathologic mechanisms dictating outcome in sepsis. Furthermore, the model was extended to incorporate hypothetical mechanisms by which immune modulation using extracorporeal blood purification results in improved outcome in septic rats. Simulations identified a sub-population (about of the treated population) that benefited from blood purification. Survivors displayed enhanced neutrophil migration to tissue and reduced sequestration of lung neutrophils, contributing to improved outcome. The model ensemble presented herein provides a platform for generating and testing hypotheses in silico, as well as motivating further experimental studies to advance understanding of the complex biological response to severe infection, a problem of growing magnitude in humans.
Psycholinguistic Determinants of Foreign Language Vocabulary Learning

This paper reviews the psycholinguistic factors that affect ease of learning of foreign language (FL) vocabulary and investigates their role in 47 students’ learning of German under Repetition, Keyword or “Own” strategy conditions. Native-to-foreign learning is shown to be easier the more the FL words conform to the phonological (0.40<r<0.63; p<.O1) and orthographic (0.28<r<0.45; .05<pc.01) patterns of the native language. However, these relationships are less pronounced (not significant) in foreign-to-native learning. The part of speech (0.44<r<0.64;p<.Ol) and the imageability (0.37<r<0.53; .05<p<.Ol) of the concept are strong determinants of learnability, suggesting an important influence of meaningfulness. Keyword effectiveness, particularly in the case of receptive learning, is influenced by the part of speech and imageability of the keyword. But keywords must also share considerable acoustic similarity with their foreign words to be effective reminders in productive learningk0.6 1; pc.01). Otherwise learners must practice these novel phonotactic and orthographic patterns to consolidate them.
Preemptive Epidural Analgesia with Bupivacaine and Sufentanyl and the Effects of Epiduraly Added Epinephrine for Thoracic Surgery

Preemptive Epidural Analgesia with Bupivacaine and Sufentanyl and the Effects of Epiduraly Added Epinephrine for Thoracic Surgery Aim. The aim of the study was to determine if preemptive epidural analgesia in thoracic surgery reduces postoperative pain, and to compare these effects in relation to the usage of epinephrine. Material and Methods. Sixty patients admitted for thoracic surgery were randomly allocated into three groups (n = 20 each). Group A received bupivacaine and sufentanyl epiduraly prior to skin incision, followed by infusion of bupivacaine and sufentanyl. Group B (control) received saline in the epidural. In both groups patients received bupivacaine and sufentanyl epiduraly at the time of the chest closure. In Group C the same doses of bupivacaine and sufentanyl as in Group A were given to the patients including epinephrine in the epidural mixture. The level of statistical significance was pointed at p < 0.05. Results. The patients in Group A had lower intraoperative isofluran requirements, lower postoperative epidural infusion rates and lower pain scores in first eight postoperative hours, compared with the control. In the epinephrine group patients had lower pain intensity and smaller needs for postoperative epidural infusion rate than those in Group A. Conclusion. The usage of epinephrine has caused less nausea and easier mobilization. While there was a beneficial effect of the reduced intraoperative anesthetic requirements, any lasting effect of preemptive analgesia did not extend beyond eight hours after the operation.
Experimenting with Industry's "Pair-Programming" Model in the Computer Science Classroom

Anecdotal evidence from several sources, primarily in industry, indicates that two programmers working collaboratively on the same design, algorithm, code, or test perform substantially better than the two would working alone. Two courses taught at the University of Utah studied the use of this technique, often called pair-programming or collaborative programming, in the undergraduate computer science classroom. The students applied a positive form of “pair-pressure” on each other, which proved beneficial to the quality of their work products. The students also benefit from “pair-learning,” which allowed them to learn new languages faster and better than with solitary learning. The workload of the teaching staff is reduced because the students more often look to each other for technical support and advise. For all the good intentions and diligent work of computer science educators, students find introductory computer science courses very frustrating (cid:190) so frustrating that typically one-quarter of the students drop out of the classes and many others perform poorly. With pair-learning, two students work simultaneously at one computer to complete one program. Using this technique, often called “pair-programming” or “collaborative programming,” one person is the “driver” and has control of the pencil/mouse/keyboard and is writing the design or code. The other person, the “observer,” continuously and actively examines the work of the driver – watching for defects, thinking of alternatives, looking up resources, and considering strategic implications of the work at hand. The observer identifies tactical and strategic deficiencies in the work. Examples of tactical deficiencies are erroneous syntax, misspelling, or smaller logic mistakes. An example of a strategic deficiency is an implementation that does not map to the design. The student pairs apply a positive form of “pair-pressure” on each other, which has proven beneficial to the quality of their work products. Initial experimental results indicate that pair-learning also improves the success and morale of the students. Initial experimentation with pair-learning also reveals benefits to computer