jimnoneill/paper-to-field-training huggingface dataset:
Ultrafast Photoinitiated Long-Range Electron Transfer in Cyclophane-Bridged Zincporphyrin−Quinone Complexes via Conical Intersections

Field: Chemistry (Physical Sciences)

Upon photoexcitation of the spectroscopically known Q states of cyclophane-bridged zincporphyrin−quinone complexes, an electron is transferred from the porphyrin to the quinone ring on a subpicosecond time scale. The details of the molecular mechanism of this ultrafast process are investigated with modern quantum chemical methods. Two excited-state crossings between the initially excited Q states and an appropriate zincporphyrin-to-quinone charge-transfer state could be identified, which are located in the vicinity of the ground-state equilibrium geometry. One state crossing occurs along a vibrational mode corresponding to a twisting of the cyclophane bridges, the so-called twist mode, while a second crossing appears along a so-called swinging-bridge mode, in which the quinone ring swings versus the porphyrin ring. Arguments are given that these state crossings correspond to conical intersections, which present here a highly efficient pathway for long-range electron transfer. General aspects of the presented mechanism and its relevance for biological electron-transfer processes are discussed.
Tabetha Leigh Ewing, Rumor, Diplomacy and War in Enlightenment Paris , Oxford, Voltaire Foundation, 2014, 311 p., ISBN 978-0-7294-1142-4

Field: Arts and Humanities (Social Sciences)

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A New Rhodamine B Derivative As a Colorimetric Chemosensor for Recognition of Copper(II) Ion

Field: Chemistry (Physical Sciences)

A new rhodamine-based sensor 1 was designed and synthesized by incorporating rhodamine B and benzimidazole moieties. Sensor 1 exhibits high selectivity and sensitivity to $Cu^{2+}$ in $CH_3CN$-water solution (HEPES buffer, pH = 7.0) with an obvious color change from colorless to pink. Other metal ions such as $Hg^{2+}$, $Ag^+$, $Pb^{2+}$, $Sr^{2+}$, $Ba^{2+}$, $Cd^{2+}$, $Ni^{2+}$, $Co^{2+}$, $Fe^{2+}$, $Mn^{2+}$, $Cu^{2+}$, $Zn^{2+}$, $Ce^{3+}$, $Mg^{2+}$, $K^+$ and $Na^+$ had no such color change and have no significant influence on $Cu^{2+}$ recognition process. The interaction of $Cu^{2+}$ and sensor 1 was proven to adopt a 1:1 binding stoichiometry and the recognition process is reversible.
Using Interdisciplinary Feminist Theory to Arrive at an Understanding of Critical Educators Who Put Human Rights at the Center of School Curriculum

Field: Social Sciences (Social Sciences)

Human rights education is more often than not a voluntary rather than mandated area of study in Ontario's curriculum teaching and learning contexts, particularly at the elementary (K-8 Grade) levels. At the same time, there exist many support documents (handbooks, units and lessons) developed by a range of stakeholders from the Ontario Human Rights Commission, to NGOs to teacher unions specifically for teachers. On one hand, there is no shortage of curriculum designed for educators who do in fact recognize the importance of advancing human rights education in school curriculum (Mogadime & Ramrattan Smith, 2007).
Stadspanelonderzoek Arnhem 1993 - VSO

Field: Social Sciences (Social Sciences)

<p>The focus of this survey is on the inhabitants' perception of the local government of the municipality of Arnhem. Attractive power of the city of Arnhem / report mark for Arnhem as residential community / influence of decisions of the municipal council on daily life and the inclusion of the preferences of the inhabitants / efficiency and correctness of the local authorities / contact with municipal councillors and the Mayor and Aldermen in the last 3 years/ satisfaction about contact / names of the Mayor and Aldermen / satisfaction with the achieved results of the municipal council / image of quarter supervision and community centre / satisfaction with local area: public transport, shops, traffic safety, infrastructure / interpersonal contacts with neighbours / ( ways of ) increasing the participation of the inhabitants in decisions of the municipal council / subjects for a referendum in Arnhem / usefulness of referendum and regular opinion polls / expenses on public services / contacts with municipal officials last year: subject/ satisfaction about contact / oral contact: reachable / written contact: answer was received within limited time period / report mark for provision of services of municipality / work: transport used for commuter traffic/ number of incomes in household. Background variables: basic characteristics/ residence/ housing situation/ place of work/ occupation/employment/ income/capital assets/ education/ politics</p>
Correlation Between Types of Thyroid Surgery, Goitre Pathology, and Recurrent Laryngeal Nerve Injury-Retrospective Cohort Study

Field: Medicine (Health Sciences)

Background: Thyroidectomies are commonly practiced surgical operations involve removal of a part or whole of the gland as suitable to the type and the pathology of goiter. This is to estimate the recurrent laryngeal nerve injury concerning different types and indications of thyroid surgery.
INVESTIGATING THE EFFECT OF A LACK OF PUBLIC SPEAKING CLASSROOM ACTIVITY ON SENIOR HIGH SCHOOL STUDENTS

Field: Social Sciences (Social Sciences)

`Public speaking is one of the most important activities enhancing English language learning in an academic institution. Yet, many of these informal institutions have not implemented or facilitated the students adequately which caused public speaking anxiety not being concerned. This study will investigate the presence of public speaking activity in the English classroom for senior high school students and what may influence the most of their anxiety in Public Speaking performance. Data obtained from the questionnaire with seven respondents will be analyzed according to the qualitative-descriptive method. This study claims that Public Speaking activity in the classroom still lacks concern and needs to be enhanced more. Forward, the study is expected to help, assist, and source for better educational purposes. Keywords: English speaking activity, Public speaking activity, Public speaking anxiety
Abstract 3895: Rational design of small molecule inhibitors that bind to an allosteric pocket on human heat shock protein 70 (Hsp70)

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Abstract The 70 kDa heat shock protein (Hsp70) plays an important role in cancer and its pharmacological modulation with small molecules may represent a useful therapeutic approach. The discovery of such agents has been hampered by the lack of a full length crystal structure of human Hsp70. We constructed a homology model of the human Hsp70, which we investigated for potential druggable sites using SiteMap tool. An allosteric site in the nucleotide binding domain was identified and used to design potent Hsp70 modulators. Analysis of the Glide docking resulted in an understanding of important interactions between designed ligands, such as YK5, and the Hsp70 protein. When tested in breast cancer cells, YK5 led to depletion of onco-proteins, induced apoptosis and inhibited growth. YK5 is to our knowledge the first rationally designed small molecule inhibitor of Hsp70, and thus, represents a novel chemical tool to investigate its potential in cancer and other diseases. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 103rd Annual Meeting of the American Association for Cancer Research; 2012 Mar 31-Apr 4; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2012;72(8 Suppl):Abstract nr 3895. doi:1538-7445.AM2012-3895
Faster Diffusion of Oxygen Along Dislocations in (La,Sr)MnO3+δ Is a Space‐Charge Phenomenon

Field: Materials Science (Physical Sciences)

Abstract In displaying accelerated oxygen diffusion along extended defects, (La,Sr)MnO 3+δ is an atypical acceptor‐doped perovskite‐type oxide. In this study, 18 O/ 16 O diffusion experiments on epitaxial thin films of La 0.8 Sr 0.2 MnO 3+δ and molecular dynamics (MD) simulations are combined to elucidate the origin of this phenomenon for dislocations: Does diffusion occur along dislocation cores or along space‐charge tubes? Transmission electron microscopy studies of the films revealed dislocations extending from the surface. 18 O penetration profiles measured by secondary ion mass spectrometry indicated (slow) bulk diffusion and faster diffusion along dislocations. Oxygen tracer diffusivities obtained for temperatures 873 ≤ T [K] ≤ 973 were over two orders of magnitude higher for dislocations than for the bulk. The activation enthalpy of oxygen diffusion along dislocations, of (2.95 ± 0.21) eV, is surprisingly high relative to that for bulk diffusion, (2.67 ± 0.13) eV. This result militates against fast diffusion along dislocation cores. MD simulations confirmed no accelerated migration of oxide ions along dislocation cores. Faster diffusion of oxygen along dislocations in La 0.8 Sr 0.2 MnO 3+δ is thus concluded to occur within space‐charge tubes in which oxygen vacancies are strongly accumulated. Reasons for and the consequences of space‐charge zones at extended defects in manganite perovskites are discussed.
Growing Structure Based on Viscous Actuation of Constrained Multistable Elements

Field: Engineering (Physical Sciences)

Abstract Growing soft materials which follow a three dimensional (3D) path in space are critical to applications such as search and rescue and minimally invasive surgery. Herein, a concept for a single‐input growing multi‐stable soft material, based on a constrained straw‐like structure is presented. This class of materials are capable of maneuvering and transforming their configuration by elongation while executing multiple turns. This is achieved by sequenced actuation of bi‐stable frusta with predefined constraints. Internal viscous flow and variations in the stability threshold of the individual cells enable sequencing and control of the robot's movement so as to follow a desired 3D path as the structure grows. A theoretical description of the shape and dynamics resulting from a particular set of constraints is derived. To validate the model and demonstrate the suggested concept, experiments of maneuvering in models of residential and biological environments are presented. In addition to performing complex 3D maneuvers, the tubular structure of these robots may also be used as a conduit to reach inaccessible regions, which is demonstrated experimentally.
Media Education in Slovene Preschools: A Review of Four Studies

Field: Social Sciences (Social Sciences)

In Slovenia, the concept of media literacy has been integrated into the formal education system, including early childhood education. The Preschool Curriculum sets certain goals to be followed in educating preschoolchildren on media-related topics. Research done in other Member States of the EU points to the conclusion that the actual implementation and delivery of media education is both fragmented and inconsistent as well asdependent on the interests and motivation of individual preschool teachers. They are the ones who, in accordance with their professional capacity and autonomy, include the goals set in the curriculum into an actuallearning process in preschools, also determining the timing and manner of this. The aim of this article is to review, compare, and analyse the data from recent research on the media education of preschool children in Slovenia in order to better understand how preschool teachers in Slovenia assess their capacity to work with media as well as their media literacy levels, which media they use, and how the media education is conductedin the groups of preschool children.
DFT Case Study of the Mechanism of a Metal-Free Oxygen Atom Insertion into a p-Quinone Methide C(sp3)–C(sp2) Bond

Field: Chemistry (Physical Sciences)

The site-selective introduction of an oxygen atom into an organic molecule, without the assistance of metals, is a useful transformation, though understanding the mechanistic underpinning of such a process is oftentimes a challenging task. In exploring this chemical space and in building upon experimental precedents, we have utilized computational tools to delineate the mechanistic details of site-selective oxygen atom insertion into a p-quinone methide C(sp3)-C(sp2) bond. To this end, several different reaction pathways for oxygen atom insertion were explored-each encompassing a unique element qualifying the respective pathway as being more or less feasible. The findings of these investigations revealed several features that were vital to this reactivity, including the formation of a dimeric intermediate, interconversion between ground- and excited-state species, and strain. Notably, the latter finding adds to the portfolio of strain-release-driven reactions that have emerged as popular methods to achieve otherwise difficult chemical transformations.
Doing Justice to Court Interpreting

Field: Arts and Humanities (Social Sciences)

First published as a Special Issue of Interpreting (10:1, 2008) and complemented with two articles published in Interpreting (12:1, 2010), this volume provides a panoramic view of the complex and uniquely constrained practice of court interpreting. In an array of empirical papers, the nine authors explore the potential of court interpreters to make or break the proceedings, from the perspectives of the minority language speaker and of the other participants. The volume offers thoughtful overviews of the tensions and conflicts typically associated with the practice of court interpreting. It looks at the attitudes of judicial authorities towards interpreting, and of interpreters towards the concept of a code of ethics. With further themes such as the interplay of different groups of "linguists" at the Tokyo War Crimes Tribunal and the language rights of indigenous communities, it opens novel perspectives on the study of interpreting at the interface between the letter of the law and its implementation.
Embedded system application development on raspberry Pi 3 : smart surveillance robot

Field: Computer Science (Physical Sciences)

Traditional SLAM (Simultaneous localization and mapping) robots made use of techniques such as the extended Kalman filter and fastSLAM. The extended Kalman filter is a recursive technique whereby estimation of the current state is based on measurement from the previous state. Firstly, the algorithm predicts the state of the robot based on some sensor values. Subsequently, the actual state of the robot is observed based on other sensor values. Actual state of robot may be wrong due to errors in sensor. Finally, the algorithm compares the two values and determines the best location for the state of the robot. The process is repeated for the subsequence state of the robot [1]. The above short explanation demonstrated the limitation of implementing such algorithms into low cost SLAM robots as the localization depends heavily on the precision of the sensor. A precise sensor is needed for accurate estimation. This limits the possibility of implementing SLAM into embedded systems found commonly in our daily life. The project look into the possibility of using the raspberry pi 3 embedded system board together with simple sensors to implement SLAM using a grid based technique. Unlike traditional techniques, the grid base technique is less sensitive to the precision of the sensors and will be able to better determine the position of the robot in places with fewer landmarks. Overall, the final product of the project is able to explore an indoor environment and produce a fairly accurate map
Effectiveness of co-administration of neostigmine and ropivacaine in children for caudal block

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Background: Pain control by various methods, in children is of great concern for the anaesthesiologists.we coadminstered neostigmine with ropivacaine to prolong duration of block due to its synergistic effect.We compared the analgesic efficacy and safety of Neostigmine -Ropivacaine mixture to that of ropivacaine with saline following caudal administration in children undergoing infra umbilical surgeries.Methods: In a prospective, randomized, double blind study, 100 children aged 1-5years of ASA class 1 of either sex, were randomly allocated to one of the groups of 50 patients each to receive caudal injection of either 1ml/kg of 0.25% ropivacaine hydrochloride with saline 0.2ml/kg in group R (Control group) or 2µg/Kg(10 µg/m) of neostigmine added to 1ml/kg of 0.25% ropivacaine hydrochloride in Group RN(Study group).The perioperative hemodynamic effects, post operative pain score, supplementary analgesic requirement and side effects were assessed by a blind observer in all patients during 24 hour post operative period.Results: Both the groups were homogenous with reference to age, sex, weight and duration of anesthesia and duration of surgery.No significant differences with respect to mean heart rate, blood pressure (systolic and diastolic) and oxygen saturation were noted during perioperative period between the two groups.The mean duration of analgesia in group R was8.25±2.229hourswhile in group RN mean duration of analgesia was 18.00±4.93hours.The duration of analgesia in group RN was longer and the difference was statistically significant (p< 0.05).In the postoperative period rescue analgesia in the form of paracetamol I/V (15mg/kg) was required in 13 patients (26%) in the study group and 28(56%) patients in the control group.Statistically a significant difference (p<0.001) was observed between the two groups.In our study 2 patients in study group had nausea and vomiting (4%), while in control group 4patients had nausea and vomiting (4%).The total number of patients who had side effects was less in study group compared to control group.However, the difference was statistically insignificant (p>0.05) between the two groups.None of our patient developed any other complication.In our study there was very low incidence of nausea and vomiting which was probably due to i/v ondansetron given intraoperatively.Conclusion: Caudal neostigmine is an effective and prolonged intra and postoperative analgesia in children undergoing infra-umbilical surgeries.Neostigmine in the dose of 2µg/kg body weight when added to caudal ropivacaine is safe and without any significant side effects.
Effects of dietary fiber intake on gut microbial diversity and the abundance of short-chain fatty acid producing and proteolytic bacteria in parkinson’s disease patients

Field: Medicine (Health Sciences)

Parkinson’s disease (PD) is a neurodegenerative disorder that affects more than ten million people worldwide. Research shows that gut microbiome imbalances are a common feature of PD; specifically, a decrease in short-chain fatty acid (SCFA) producing microorganisms and an increase in proteolytic microorganisms. There are many studies that highlight the link between diet and the gut microbial population in healthy individuals. However, this link is unclear in Parkinson’s disease patients. Since diet is a significant factor affecting the gut microbiome, the aim of this study was to assess how fiber, a macronutrient, affects the gut microbial community in Parkinson’s disease patients. We performed an in silico analysis using gut microbiome sequences and associated dietary information to assess whether fiber affects the gut microbial diversity and the relative-abundance of SCFA-producing and proteolytic bacteria. We observed higher microbial diversity in Parkinson’s disease patients with higher fiber intake. In high and low fiber intake groups, we observed no difference in the relative abundance of SCFA-producing and proteolytic bacteria. These results suggest that fiber may not play a significant role in changing the SCFA-producing and proteolytic bacteria population in PD patients and may not be of great importance to affect the gut microbiome imbalances experienced by these patients.
The Role of Leaders’ Social Dominance Orientation in Shaping Proactive Employees’ Promotability

Field: Business, Management and Accounting (Social Sciences)

Faced with today’s turbulent environment, organizations need proactive employees who initiate and implement constructive changes more than ever before. Thus, it may be in the interest of organizations to ensure proactive employees’ promotability, because it gives proactive employees a sense of advancement and the intention to stay in their organizations. Relatedly, the relational perspective of proactivity suggests that proactive employees establish high-quality relationships with their leaders, which is conducive to their promotability. However, the proactivity literature also suggests that leaders may regard employees’ proactivity as a threat to their status at work, in which case the quality of leader-proactive employee relationships and, correspondingly, proactive employees’ promotability get damaged. In this research, we resolve this controversy by considering the role of leaders’ social dominance orientation (SDO). Building upon dominance complementarity theory and the literature on SDO, we suggest that proactive employees are unlikely to build high-quality relationships with high SDO leaders, which in turn negatively impacts proactive employees’ promotability. To test our hypotheses, we conducted a field study with three time separations and two data sources (employees and supervisors). Our findings provide support for our contentions. Overall, our research offers an alert to organizations that they need to be concerned with their leaders’ dispositional ideological perspectives such as SDO.
Diagnosis of Anomalous Origin of Left Main Coronary Artery from Right Sinus of the Valsalva Based on the “Seagull Sign” in Echocardiography: A Case Study

Field: Medicine (Health Sciences)

The anomalous origin of the left main coronary artery from the right sinus of the Valsalva (ALCA) is rare, and varies significantly in congenital heart disease. Patients are usually asymptomatic, and in most cases, coronary abnormalities are discovered by chance at autopsy after coronary angiography or sudden cardiac death. As a routine physical examination procedure, echocardiography is particularly important for the rapid and sensitive diagnosis of ALCA. We report a case of ALCA using echocardiography. “Seagull sign” is a direct ALCA sign manifesting on the short axis section of the artery with two vessels coming from the right coronary sinus. Based on this case, we propose this specific ultrasound sign as a way to improve the diagnostic rate.
The Prognostic Value of the Apoptosis Pathway in Colorectal Cancer: A Review of the Literature on Biomarkers Identified by Immunohistochemistry

Field: Medicine (Health Sciences)

Research towards biomarkers that predict patient outcome in colorectal cancer (CRC) is rapidly expanding. However, none of these biomarkers have been recommended by the American Association of Clinical Oncology or the European Group on Tumor Markers. Current staging criteria result in substantial under- and over-treatment of CRC patients. Evasion of apoptosis, a characteristic feature of tumorigenesis, is known to correlate with patient outcome. We reviewed the literature on immunohistochemistry-based studies between 1998 and 2011 describing biomarkers in this pathway in CRC and identified 26 markers. Most frequently described were p53, Bcl-2, survivin, and the Fas and TRAILR1 receptors and their ligands. None of the studies reviewed provided sufficient support for implementing a single marker into current clinical practice. This is likely due to the complex biology of this pathway. We suggest focusing on the combination of key markers within the apoptosis pathway that together represent an ‘apoptotic tumor profile’, which better reflects the status of this pathway in a tumor.