bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantum chemical electron impact mass spectrum prediction for de novo structure elucidation: Assessment against experimental reference data and comparison to competitive fragmentation modeling
Authors: Spackman Peter R. , Bohman Björn , Karton Amir , Jayatilaka Dylan 
Published: August 2017

AbstractWe investigate the success of the quantum chemical electron impact mass spectrum (QCEIMS) method in predicting the electron impact mass spectra of a diverse test set of 61 small molecules selected to be representative of common fragmentations and reactions in electron impact mass spectra. Comparison with experimental spectra is performed using the standard matching algorithms, and the relative ranking position of the actual molecule matching the spectra within the NIST‐11 library is examined. We find that the correct spectrum is ranked in the top two matches from structural isomers in more than 50% of the cases. QCEIMS, thus, reproduces the distribution of peaks sufficiently well to identify the compounds, with the RMSD and mean absolute difference between appropriately normalized predicted and experimental spectra being at most 9% and 3% respectively, even though the most intense peaks are often qualitatively poorly reproduced. We also compare the QCEIMS method to competitive fragmentation modeling for electron ionization, a training‐based mass spectrum prediction method, and remarkably we find the QCEIMS performs equivalently or better. We conclude that QCEIMS will be very useful for those who wish to identify new compounds which are not well represented in the mass spectral databases.
Continuous flow reduced‐pressure infrared laser desorption/ionization mass spectrometry
Authors: Iguchi Yasunari , Hazama Hisanao , Awazu Kunio 
Published: August 2017

RationaleContinuous flow ionization methods using infrared (IR) lasers have several favorable characteristics, including ionization without any additional matrices and tolerance to contaminants such as detergents and buffer salts. However, poor sensitivity due to low ion‐transfer efficiency from the sample plate to the inlet capillary of the mass spectrometer under atmospheric pressure remains a serious problem.MethodsWe developed a new continuous flow IR laser desorption/ionization (IR‐LDI) method using a frit plate and wavelength‐tunable mid‐IR laser with an optical parametric oscillator. Continuous flow samples were directly injected into the ion source without any additional matrices. The ion source was covered with a decompression chamber, and could vary the pressure of the ion source from 21 to 101 kPa.ResultsReduction of the pressure of the IR‐LDI source from 101 to 71 kPa increased the signal intensity for the [M + H]+ ion of angiotensin II by 1.8‐fold. On the other hand, the ion signal intensity was reduced at pressures lower than 71 kPa. It became clear that reducing pressure was more effective when ionization occurred with lower laser pulse energy and lower ion source temperature. In addition, signal intensities for the [M + 2H]2+ and [M + 3H]3+ ions of insulin were also increased, by 1.4‐fold and 1.1‐fold, respectively, upon reduction of the pressure to 91 and 81 kPa.ConclusionsAlthough many studies have described IR‐LDI using a differential pumping mass spectrometer, the optimal pressure of the ion source has never been investigated. We found that a slight reduction in pressure enhances sensitivity. This knowledge may be applicable to a number of ambient ionization methods using IR lasers.
Online hunting forums identify achievement as prominent among multiple satisfactions
Authors: Ebeling‐Schuld Alena M. , Darimont Chris T. 
Published: August 2017

ABSTRACTUnderstanding hunter satisfactions can lead to improved wildlife management policy and practice. Whereas previous work has suggested that hunters often seek multiple satisfactions (achievement, affiliation, appreciation), little is known about how satisfactions might vary with target species. Additionally, past research has mostly gathered data using interviews and surveys, which might limit scope as well as introduce strategic bias for potentially provocative subjects such as hunting. To address these gaps, we analyzed data from online hunting forums, which provide an open‐access source of peer‐to‐peer discussion that is geographically and taxonomically broad. We used directed qualitative content analysis to analyze hunting narratives for satisfactions by coding 2,864 phrases across 455 hunting “stories,” and compared patterns of dominant (most frequent) and multiple satisfactions between target species type (ungulates and carnivores) using forums from 3 regions: British Columbia, Canada; Texas, USA; and North America‐wide. We found that achievement was the dominant satisfaction in 81% of ungulate and 86% of carnivore stories. Appreciation was nearly absent as a dominant satisfaction in carnivore stories. We found that 62% of ungulate and 53% of carnivore stories had multiple satisfactions present, indicating that appreciation and affiliation play important secondary satisfaction roles even when achievement is dominant. If these data are broadly representative of hunters on a larger scale, management policy instruments that ignore achievement may not evoke change in hunter behavior, particularly involving carnivore target species. Despite limitations associated with online forums (e.g., nonrepresentative of all hunters), they provide a new and valuable resource for wildlife management research. © 2017 The Authors. Wildlife Society Bulletin published by Wiley Periodicals, Inc. on behalf of The Wildlife Society.
Local Governing of Schools in Scandinavia—Between State, Market and Civil Society
Authors: Thøgersen Malene 
Published: August 2017

AbstractThis chapter focuses on the local governing of schools across institutional sectors (public, for-profit and nonprofit) and Scandinavian countries. Local governing in the field is analysed with a specific focus on elements of control, competition and collaboration. The case studies reveal several similarities across countries. One common trend is that the degree of municipal control is lower for private schools than public schools. However, there are also differences, indicating that variation in national legislation is reflected at the local level. Sweden stands out with more focus on equivalent services and less room for distinctiveness in spite of a more market-based approach. Hence, local steering in the field of schools takes place within a complex mix of logics and tools from state, market and civil society.
Valencies of the lanthanides
Authors: Johnson David A. , Nelson Peter G. 
Published: August 2017

Abstract
The valencies of the lanthanides vary more than was once thought. In addition to valencies associated with a half-full shell, there are valencies associated with a quarter- and three-quarter-full shell. This can be explained on the basis of Slater’s theory of many-electron atoms. The same theory explains the variation in complexing constants in the trivalent state (the “tetrad effect”). Valency in metallic and organometallic compounds is also discussed.
Thrombo-hemorrhagic liability in children with congenital heart diseases
Authors: Shebl Shebl Said , El-shehaby Walid Ahmed Naguib , Said Yasmin Shebl , Darwish Amira Hamed , Elfadaly Nabeh Helal , Amer Eman 
Published: August 2017

Background:
The precise mechanisms of the increased incidence of hemostatic abnormalities in congenital heart disease (CHD) have not been determined. The aim of the study was to evaluate some indicators of activation of platelets and vascular endothelial cells in patients with CHD, evaluation of bleeding liability of these patients, and correlation with the clinical presentation of these patients.

Methods:
This work was carried out on 20 patients with cyanotic congenital heart diseases (CCHD), 20 patients with acyanotic congenital heart diseases (ACHD), and 20 healthy children who served as the control group, aged between 1 and 10 years. All were subjected to full clinical examination, complete blood count, oxygen saturation, echocardiography, bleeding and coagulation times, PT, PTT, FDPs, plasma soluble P-selectin, E-selectin, and platelet factor 4 (PF4).

Results:
There was significant prolongation of PT and PTT, and there was a significant lowering of platelet counts. These results were obtained in CCHD and ACHD, but were more significant in CCHD patients. There was a significant elevation in PF4 (55.0 ± 25.5 ng/mL), P-selectin (128.9 ± 42.44 ng/dL), and E-selectin (9461.5 ± 1701.24 pg/mL) levels in children with CCHD as compared to those with ACHD (PF4, 21 ± 7.94 ng/mL; P-selectin, 80.1 ± 13.2 ng/mL; E-selectin, 7969.6 ± 2127.5 pg/mL), and significant increase in both groups when compared to the control group (PF4, 8.1 ±4.7 ng/mL; P-selectin, 27.83 ± 9.73 ng/mL; E-selectin, 6750.00 ± 3204.00 pg/ mL). There was a significant negative correlation between oxygen saturation, plasma P-selectin (r = -0.865), E-selectin (r = -0.401), and PF4 (r = -0.792) in patients with CCHD.

Conclusion:
Patients with CHD-both cyanotic and acyanotic-have variable degrees of increased liability for both thrombosis and hemorrhage that represents some sort of adaptation to preserve hemostasis and to protect these patients against the clinical presentation of both thrombosis and bleeding. This is to say that CHD patients have their own point of balance between thrombogenicity and bleeding liability. Wide-scale studies are needed to detect the normal levels of different thrombohemorrhagic parameters of these patients.
Graded Aerobic Treadmill Testing in Adolescent Traumatic Brain Injury Patients
Authors: Cordingley Dean M. , Girardin Richard , Morissette Marc P. , Reimer Karen , Leiter Jeff , Russell Kelly , Ellis Michael J. 
Published: August 2017

AbstractPurpose:To examine the safety and tolerability of clinical graded aerobic treadmill testing in recovering adolescent moderate and severe traumatic brain injury (TBI) patients referred to a multidisciplinary pediatric concussion program.Methods:We completed a retrospective case series of two moderate and five severe TBI patients (mean age, 17.3 years) who underwent initial Buffalo Concussion Treadmill Testing at a mean time of 71.6 days (range, 55-87) postinjury.Results:Six patients completed one graded aerobic treadmill test each and one patient underwent initial and repeat testing. There were no complications. Five initial treadmill tests were completely tolerated and allowed an accurate assessment of exercise tolerance. Two initial tests were terminated early by the treatment team because of neurological and cardiorespiratory limitations. As a result of testing, two patients were cleared for aerobic exercise as tolerated and four patients were treated with individually tailored submaximal aerobic exercise programs resulting in subjective improvement in residual symptoms and/or exercise tolerance. Repeat treadmill testing in one patient performed after 1 month of treatment with submaximal aerobic exercise prescription was suggestive of improved exercise tolerance. One patient was able to tolerate aerobic exercise following surgery for posterior glottic stenosis.Conclusions:Preliminary results suggest that graded aerobic treadmill testing is a safe, well tolerated, and clinically useful tool to assess exercise tolerance in appropriately selected adolescent patients with TBI. Future prospective studies are needed to evaluate the effect of tailored submaximal aerobic exercise prescription on exercise tolerance and patient outcomes in recovering adolescent moderate and severe TBI patients.
AGENTIAL INSENSITIVITY AND SOCIALLY SUPPORTED IGNORANCE
Authors: Woomer Lauren 
Published: August 2017

ABSTRACTIn this paper, I identify a form of epistemic insensitivity that occurs when someone fails to make proper use of the epistemic tools at their disposal in order to bring their beliefs in line with epistemically relevant evidence that is available to them. I call this kind of insensitivityagential insensitivitybecause it stems from the epistemic behavior of an individual agent. Agential insensitivity can manifest as a failure to either attend to relevant and available evidence, or appropriately interpret evidence that is attended to. The concept of agential insensitivity allows us to conceptualize the kind of not-knowing involved in forms of ignorance that are cultivated and maintained by individual agents, especially when this ignorance is enabled or encouraged by social structures. I use the skepticism about racial disparities in policing practices that is displayed by many white Americans as a lens for exploring this connection. Understanding agential insensitivity thus provides insight into both social and epistemic phenomena.
The effect of reducing energy density, via the addition of water to dry diet, on body weight and activity in dogs
Authors: Alexander Janet E. , Colyer Alison , Morris Penelope J. 
Published: August 2017

AbstractApproximately 40 % of pet dogs are estimated to be overweight and this is associated with health conditions significantly reducing life span and quality. In cats, dietary energy dilution has been reported to increase activity levels and aid healthy body-weight maintenance. Our aim was to investigate this in dogs. For 28 d, a complete and balanced standard dry diet, hydrated to a total moisture content (TMC) of 72 %, was offered to forty-six dogs at individual maintenance energy requirements (MER). Intake, body weight and activity were measured. For the following 28 d, the dry diet was offered at 200 % of MER with or without hydration (7·6 or 72 % TMC) and measurements repeated. When offered diets in excess, body weight increased significantly faster (19·3 g/d) with the hydrated diet (P = 0·001), but activity levels did not change from baseline (P = 0·392), while activity reduced significantly with the dry diet (about 15 %; P < 0·001). Dogs completely compensated for the reduction of dietary energy content, indicating that this is not a useful strategy for maintaining body weight when offered excess food.
IFU Spectroscopy of Southern Planetary Nebulae V: Low-Ionisation Structures
Authors: Ali A. , Dopita M. A. 
Published: August 2017

AbstractIn this fifth paper of the series, we examine the spectroscopy and morphology of four southern Galactic planetary nebulae Hen 2-141, NGC 5307, IC 2553, and PB 6 using new integral field spectroscopy data. The morphologies and ionisation structures of the sample are given as a set of emission-line maps. In addition, the physical conditions, chemical compositions, and kinematical characteristics of these objects are derived. The results show that PB 6 and Hen 2-141 are of very high excitation classes and IC 2553 and NGC 5307 are mid to high excitation objects. The elemental abundances reveal that PB 6 is of Type I, Hen 2-141 and IC 2553 are of Type IIa, and NGC 5307 is of Type IIb/III. The observations unveil the presence of well-defined low-ionisation structures or ‘knots’ in all objects. The diagnostic diagrams reveal that the excitation mechanism of these knots is probably by photoionisation of dense material by the nebular central stars. The physical analysis of six of these knots show no significant differences with their surrounding nebular gas, except their lower electron densities. In spite of the enhancement of the low-ionisation emission lines of these knots, their chemical abundances are nearly comparable to their surrounding nebulae, with the exception of perhaps slightly higher nitrogen abundances in the NGC 5307 knots. The integrated spectrum of IC 2553 reveals that nearly all key lines that have led researchers to characterise its central star as a weak-emission line star type are in fact of nebular origin.
Chambered structures from the Ediacaran Dengying Formation, Yunnan, China: comparison with the Cryogenian analogues and their microbial interpretation
Authors: LUO CUI , PAN BING , REITNER JOACHIM 
Published: August 2017

AbstractEnigmatic chambered structures have been reported forming reef frames in Cryogenian interglacial carbonates, prior to the commonly acknowledged microbial-metazoan reefs at the terminal Ediacaran, and interpreted as fossils of possible sponge-grade organisms. A better constraint on the affinity of these structures is partly hindered by few analogues in other time periods. This study describes similar structures from peritidal dolostones of the Ediacaran Denying Formation from Yunnan, China. Samples were investigated using optical microscopy and three-dimensional (3-D) reconstruction based on grinding tomography. The Dengying chambered structures are comparable with Cryogenian structures in basic construction, but are not frame building, and show variations in overall shape and inhabiting facies. Two-dimensional (2-D) cross-sections show that thin, homogeneous micritic laminae are the basic building blocks of the chamber walls. Thick walls represent parallel accretion of these laminae, and thin walls developed from the angular growth of a single lamina or merging of multiple laminae. In 3-D space, the laminae primarily correspond to continuous surfaces which sometimes contain sub-circular holes, while a few represent filamentous elements connected to the surfaces. The morphological features and growth pattern of the Dengying chambered structures indicate that they are likely to be calcified microbial constructions rather than skeletal remains of basic metazoans. However, aside from the Cryogenian and Dengying examples, comparable chambered constructions with laminae-based architecture are yet unknown from other fossil or extant microbialites. Further work investigating related structures is needed to determine the microbial consortia and controlling environmental factors that produced these chambered structures.
LEGALITY OF UNILATERAL EXPLOITATION OF SPACE RESOURCES UNDER INTERNATIONAL LAW
Authors: Su Jinyuan 
Published: August 2017

AbstractIn recent years, there has been a surge of private investment in space resources and the enactment of domestic legislation aimed at protecting property rights over the resources to be extracted. This article argues that the unilateral exploitation of space resources is not prohibited by the principle of non-appropriation and is consistent with the freedom of use for common benefit and interests, with the caveat that it does not exclude others from exploitation or exacerbate inequality among States. It also argues that a laissez-faire approach would be detrimental to the orderly, sustainable and safe exploitation and use of space resources and calls for the establishment of an international regulatory regime consisting of rules concerning international coordination, benefits sharing and environmental protection.
Impact of climate change on yield, irrigation requirements and water productivity of maize cultivated under the moderate continental climate of Bosnia and Herzegovina
Authors: Stricevic R. J. , Stojakovic N. , Vujadinovic-Mandic M. , Todorovic M. 
Published: August 2017

AbstractIn the past 20 years, extreme weather events (atypical variations of temperature and precipitation in space and time) have increased in Bosnia and Herzegovina, the consequences being significant material damage and decreased crop yields. The aims of the current paper were to investigate the impact of climate change on yield, irrigation requirements and water productivity of maize grown in one of the most important agricultural regions of the country. It used the results of projections of the EBU-POM regional climate model (Eta Belgrade University – Princeton Ocean Model) for the Intergovernmental Panel on Climate Change (IPCC) Special Report on Emissions Scenarios (SRES) A1B, A2 and A1B > carbon dioxide (CO2), A2 > CO2 for the 2020s (2010–2039), the 2050s (2040–2069) and the 2080s (2070–2099), and it compared them with the reference period (1961–1990) using measured and modelled data. AquaCrop was calibrated for the study area using data from experimental studies. The model was applied in simulations of future cultivation scenarios considering different irrigation regimes and variations in precipitation, temperature, CO2 concentration and sowing date. The results of simulations indicate that in the 2020s, there will be no significant changes in irrigation needs and yield due to the earlier sowing date and overall shifting of the growing season early in spring. A slightly larger negative impact of climate change will occur by the 2050s and a larger one by the 2080s due to a reduction in precipitation in the summer months. Compared with the reference period, in the 2080s, irrigation requirements are expected to increase by almost 100% (from 100 to 200 mm) and to provide up to 30% greater yield. In the future, water productivity of maize will remain high and will be even greater than current levels for both rainfed and irrigated cultivation due to anticipation and shortening of the growing season, reduction in crop evapotranspiration and increase in CO2 concentration. Due to an increase in precipitation in early spring and its reduction in the May–June period, the blue-to-green water ratio will increase in the future with positive environmental connotations. The productive use of blue water will also increase.
Meanings of Treason in a Colonial Context: Indian Challenges to the Charges of ‘Waging War against the King’ and ‘Crimes against Peace’
Authors: SELLARS KIRSTEN 
Published: August 2017

AbstractIn November 1945, the British colonial authorities convened a court martial of members of the Indian National Army, which had fought alongside the Japanese in the Asia-Pacific War. Three defendants were charged with ‘waging war against the King’ – the equivalent of treason, set out in Section 121 of the Indian Penal Code.At the heart of the case was the question of allegiance. The chief defence counsel, Bhulabhai Desai, had the task of presenting a legitimate – i.e., non-treasonable – exception to the duty of allegiance to a state during a war. Drawing on Hobbesian themes, Desai insisted that a specific event – the fall of Singapore – had convinced the surrendered Indian troops of the British Army that Britain was no longer capable of protecting their interests. Further, he questioned the very premise of the ‘waging war against the King’ charge, by arguing that during a war of liberation the justice of the challenger eclipsed the security of the challenged.Desai's approach influenced Radhabinod Pal, who would take these arguments to the International Military Tribunal for the Far East. Pal, like Desai, took as his starting point the differing interests of the powerful states and their colonies. He argued that the Allies’ motives for creating the new charge of ‘crimes against peace’ were highly suspect, considering their own history of violence towards the non-Western world. Would it not potentially immobilize the struggle against colonialism? And,paceHobbes, could not a colonized state's duty of allegiance to the society of states be relinquished?