bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ground‐state dissociation pathways for the molecular cation of 2‐chlorothiophene: A time‐of‐flight mass spectrometry and computational study
Authors: Upadhyaya Hari P. 
Published: May 2019

RationaleHalogenated thiophenes are an important class of compounds mostly used in the synthesis of various materials, showing unusual electronic and optical properties. The Thiophene Ring Fragmentation (TRF) process is widely used in synthetic chemistry. In this study, the fragmentation pattern of the molecular cation of halogenated thiophene, namely, 2‐chlorothiophene, was monitored to establish its dissociation mechanism.MethodsThe molecular cation of 2‐chlorothiophene was prepared using multiphoton excitation using a laser at 235 nm. Various product ions upon fragmentation of the molecular ion were mass analyzed using time‐of‐flight mass spectrometry. Laser power dependence studies were also conducted for various product ions to arrive at the dissociation mechanism. Theoretical calculations were carried out to estimate the reaction enthalpies for various reactions and compared with the experimental data available in the literature.ResultsThe most abundant product ion was observed as the HCS+ radical cation followed by the C3H3+ ion and the H2CCCCS+ radical cation. Other product ions such as SCCl+, ClHCCS+ radical cations were also observed to a lesser extent in the fragmentation pattern of the parent molecular ion. Various dissociation channels were identified and supported with ab initio calculation. It has been inferred that the TRF process is usually initiated by the H/Cl atom transfer process. The appearance energies of the various fragment ions were also estimated theoretically and compared with literature values.ConclusionsIn conclusion, the fragmentation pattern of the molecular cation of 2‐chlorothiophene was studied and the formation mechanisms of various product ions have been assigned. The appearance energies of the various fragment ions were also calculated. Finally, it is inferred that a TRF process is initiated by the H/Cl atom migration and subsequent ring opening either by C–C or C–S bond cleavage leading to the various isomers and their subsequent fragmentation. The ionization energies were accurately predicted for various species using ab initio calculation.
Recent advances in quantum‐mechanical molecular dynamics simulations of proton transfer mechanism in various water‐based environments
Authors: Sakti Aditya W. , Nishimura Yoshifumi , Nakai Hiromi 
Published: May 2019

AbstractProton transfer in water‐based environments occurs because of hydrogen‐bond interaction. There are many interesting physicochemical phenomena in this field, causing fast structural diffusion of hydronium and hydroxide ions. During the last few decades, to support experimental observations and measurements, quantum‐mechanical molecular dynamics (QMMD) simulations with reasonable accuracy and efficiency have significantly unraveled structural, energetic, and dynamical properties of excess proton in aqueous environments. This review summarizes the state‐of‐the‐art QMMD studies of proton transfer processes in aqueous solutions and complex systems including bulk liquid water, ice phases, and confined water in nanochannel/nanoporous materials as well as reports on CO2 scrubbing by amine‐based chemical absorption.This article is categorized under:
Structure and Mechanism > Reaction Mechanisms and Catalysis
Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods
Electronic Structure Theory > Semiempirical Electronic Structure Methods
Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics
Load analysis of hydraulic‐pneumatic flywheel configurations integrated in a wind turbine rotor
Authors: Hippel Sebastian , Jauch Clemens 
Published: May 2019

AbstractIn this paper, the impact on the mechanical loads of a wind turbine due to a previously proposed hydraulic‐pneumatic flywheel system is analysed. Load simulations are performed for the National Renewable Energy Laboratory (NREL) 5‐MW wind turbine using fatigue, aerodynamics, structures, and turbulence (FAST). It is discussed why FAST is applied although it cannot simulate variable rotor inertia. Several flywheel configurations, which increase the rotor inertia of the 5‐MW wind turbine by 15%, are implemented in the 61.5‐m rotor blade. Load simulations are performed twice for each configuration: Firstly, the flywheel system is discharged, and secondly, the flywheel is charged. The change in ultimate and fatigue loads on the tower, the low speed shaft, and the rotor blades is juxtaposed for all flywheel configurations. As the blades are mainly affected by the flywheel system, the increase in ultimate and fatigue loads of the blade is evaluated. Simulation results show that the initial design of the flywheel system causes the lowest impact on the mechanical loads of the rotor blades although this configuration is the heaviest.
Age‐related changes in cognitive biases during adolescence
Authors: Slavny Rachel J.M. , Sebastian Catherine L. , Pote Helen 
Published: June 2019

ABSTRACTIntroductionAge has been found to moderate the relation between cognitive biases and psychopathology, yet little is known about normative age‐related change in these biases during adolescence. Adolescence might be a key developmental period for changes in negatively biased information‐processing, and understanding the trajectories of these processes in a typically developing population is a pre‐requisite for further comprehending their association with psychopathology.MethodsThis study explores the effect of age on seven cognitive biases in a diverse community sample from the United Kingdom (N = 540) aged 10–17 years (309 were female) using self‐report measures.ResultsAge demonstrated a positive linear association with three biases: threat interpretation, negative attributions and overgeneralizing scores.ConclusionsImportant changes take place during adolescence that may increase young people's negative cognitive biases. Empirical data on normative age‐related changes in cognitive biases should be integrated into theoretical models of biased information‐processing and psychopathology.
The associations between self-reported depression, self-reported chronic inflammatory conditions and cognitive abilities in UK Biobank
Authors: Lyall Laura M. , Cullen Breda , Lyall Donald M. , Leighton Samuel P. , Siebert Stefan , Smith Daniel J. , Cavanagh Jonathan 
Published: May 2019

AbstractBackground:Depression and chronic inflammatory medical conditions have been linked to impaired cognitive ability. However despite frequent comorbidity, their combined association with cognitive ability has rarely been examined.Methods:This study examined associations between self-reported depression and chronic inflammatory diseases and their interaction with cognitive performance in 456,748 participants of the UK Biobank, adjusting for sociodemographic and lifestyle factors. Numbers with available data ranged from 94,899 to 453,208 depending on the cognitive test.Results:Self-reported depression was associated with poorer performance compared to controls in several cognitive tests (fully adjusted models, reaction time: B = 6.08, 95% CI = 5.09, 7.07; pairs matching: incidence rate ratio = 1.02, 95% CI = 1.02, 1.03; Trail Making Test B: B = 1.37, 95% CI = 0.88, 1.87; Digit Symbol Substitution Test (DSST): B = −0.35, 95% CI = −0.44, −0.27). Self-reported chronic inflammatory conditions were associated with slower reaction time (B = 3.79, 95% CI = 2.81, 4.78) and lower DSST scores (B = −0.21, 95% CI = −0.30, −0.13). No interaction effects were observed.Discussion:In this large, population-based study we provide evidence of lower cognitive performance in both depression and a comprehensive category of chronic inflammatory conditions. Results are consistent with additive effects of both types of disorder on cognitive ability. Clinicians should be aware of such effects, particularly as cognitive impairment is linked to poorer disease outcomes and quality of life.
Adaptation of Compensation Practice in China: The Role of Sub-National Institutions
Authors: Lu Wei , Saka-Helmhout Ayse , Piekkari Rebecca 
Published: May 2019

ABSTRACTUnlike previous research that has largely focused on the influence of national institutions on human resource management practices in China, our study taps into the role of sub-national institutions. We demonstrate, via a qualitative configurational analysis, that foreign subsidiaries of multinational corporations still adapt HQ compensation practice to the local context despite low regulatory pressure and low mobility of skills at the sub-national level. This adaptation is facilitated by a decentralized structure in the multinational corporation. Our study also shows that high regulatory pressure and high portability of skills at the sub-national level alone are sufficient to induce local adaptation of compensation practice. Our explanation points to the significant role played by sub-national institutions in large and rapidly changing emerging economies and contributes to research on local adaptation of HRM practice in China. It offers an insight into forms of institutional agency by political and economic actors at local levels of governance as they attempt to influence the skills and human resources available for MNCs through regulatory means.
On the Minimum Induced Drag of Ground-Effect Wings
Authors: Ashill P. R. 
Published: May 2019

SummaryAn approximate theory, which yields the minimum induced drag of a planar wing with end-plates in ground effect, is presented. As a check on the accuracy of the method, it is compared with the exact linearised theory in the case of end-plates of vanishing depth (planar configuration). This shows that, within the limitations of the linearised lifting-surface theory, the present method is accurate in the range of wing heights of interest. In Section 5 the theory is compared with experiment. In this comparison two interpretations of the theory are employed. The first assumes that the vortex trace is the projection of the trailing edge of the configuration onto a plane normal to the direction of motion when the wing incidence is zero. The second is different from this only in that no constraint is placed on the wing incidence. Of the two interpretations the first is found to be in better agreement with experiment than the second for the planar configuration. However, the opposite is found to be true when end-plates of sufficient depth are fitted. A reason for this is proposed in Section 5.
The Estimation of Pressure on Finite Symmetrical Wings in Subsonic Flow
Authors: Eldridge R. H. , Walkden F. 
Published: May 2019

SummaryA numerical method for estimating the pressure distribution on arbitrary finite symmetrical wings with rounded leading edges at zero incidence in subsonic flow is presented. The subsonic flow equations are linearised so that the value of ∂ϕ/∂x at a point on the wing mean plane can be expressed as the generalised principal part of a singular double integral. This integral is modified so that it can be evaluated numerically. Finally Cn is obtained from ∂ϕ/∂x by using the approximation Cp = −2∂ϕ/∂x. Two numerical methods are described; one method to be used when the field point is close to the leading edge and the other for field points in other regions. Numerical results for two wings (Warren 12 and NPL 55° swept) are given and, wherever possible, the computed results are compared with results from other methods and with experiment.
Ambrosii Verba Retro Versa e Translatione Graeca (Libri Carolini II, 15)
Authors: Wallach Luitpold 
Published: May 2019

TheLibri Carolini, the official Frankish protest against the worship of images decreed by the Seventh Ecumenical Council of II Nicaea in 787, accuses the synodal assembly of having falsified a statement by Ambrose of Milan in such a manner that it favored their own error of image-worship, “ut illorum errori faveret.” On the surface, the author of theLibri Carolini(LC) offers in II, 15 a nearly perfect specimen of textual criticism by comparing the original Ambrose text with the allegedly falsified version to be found in the First Latin translation of the Greek acta of II Nicaea. He cites the genuine Ambrose passage inLCII,15 (p. 75.2–4):A.a. “Numquid, cum et divinitatem eius adoramus et carnem, Christum dividimus?b. Numquid, cum in eo imaginem Dei crucemque veneramur, dividimus eum ?”
The unification of Sinn Fein in 1917
Authors: Laffan Michael 
Published: May 2019

The Easter rising inaugurated a period of violence in Irish history, but its immediate consequence was to spark off a political rather than a military upheaval. The most important development in the next few years was the emergence of a united and organized separatist party which was capable of winning and holding the loyalties of most Irishmen; between 1916 and 1919 the achievements of the Sinn Fein party outweighed in importance those of the Irish Volunteers. This article will examine how the different Sinn Fein elements combined to form a single party, and how they overcame problems which nearly undermined its unity.For some time before the Volunteers resorted to their protest in arms the nationalist party of John Redmond had been in a state of crisis, and its roots had begun to wither even though few traces of decay were yet visible above ground. Its supporters were dismayed by Carson's successful defiance of the Asquith government and by the postponement of home rule until after the end of the war. The party's extremist rivals were growing in strength and influence, encouraged by Griffith's propaganda and by the formation of the Volunteers. The nationalists had become vulnerable to an onslaught from outside their ranks or to erosion from within. Yet until after the turning-point of May 1916 Redmond still retained the grudging and unenthusiastic support of the great majority of the population.
Minimum Sentences
Authors: Sebba Leslie 
Published: May 2019

It is a feature of the English law of sentencing that the penalty laid down for an offence indicates the maximum which may be imposed for that offence, but that in lieu of such penalty a milder one may be imposed at the discretion of the court. Apart from the special case of murder where life imprisonment is mandatory, exceptions to this rule are rare.In Israel this same principle was incorporated in section 42 of the Criminal Code Ordinance, 1936, and in the section which replaced it, section 1 of the Penal Law Revision (Modes of Punishment) Law, 1954, which states as follows: “A court which has convicted a person of an offence may impose on him any penalty not exceeding the penalty prescribed by law for that offence”. In lieu of the term of imprisonment specified by the law a court is thus empowered to impose a shorter period of imprisonment, a conditional term of imprisonment, or a fine; it may, alternatively, make a probation order.
The action of rennets on the caseins: I. Rennin action on β-casein-B in solution
Authors: Creamer L. K. , Mills O. E. , Richards E. L. 
Published: May 2019

SummaryA study of the hydrolysis of β-casein-B by crystalline rennin or rennet extract at pH 6·5, using a disk electrophoresis technique, showed that 3 bonds in β-casein are appreciably more sensitive than the others to rennin proteolysis, and that these bonds are probably located near the C-terminus of the protein. The most susceptible bond is hydrolysed, at 10°C, about 200 times faster than any other bond, whilst at 37°C it is hydrolysed 60 times faster. A study of the hydrolysis of this bond showed that its rate of hydrolysis at 37°C and pH 6·5 is decreased by either increased ionic strength or increased calcium ion concentration at constant ionic strength. Conformational changes in the substrate are probably responsible for these effects.
The plerocercoid of Gilquinia squali Fabricius, 1794
Authors: MacKenzie K. 
Published: June 2019

Unidentified helminth larvae in the eyes of the North Sea whiting, Gadus merlangus L., were recorded in an unpublished survey of parasites of gadoid fish by Dr Z. Kabata of the Marine Laboratory, Aberdeen, in 1957. Since then these larvae have been observed frequently and during the first 6 months of 1964 an effort was made to identify them. They proved to be the plerocercoids ofa trypanorhynch cestode.The plerocercoids are usually free in the aqueous or vitreous humour, but occasionally one is found attached to the lens. Very often both eyes of the same fish are infested, the largest number of larvae recorded from one eye being ten, from a fish taken in Shetland waters. The other eye of the same fish contained eight larvae.In several plerocercoids examined the proboscides were evaginated, thus enabling detailed drawings to be made of the armature at a magnification of × 900. A number of specimens were fixed in Gilson's fixative; transverse and longitudinal sections were cut and stained with Mallory's triple stain; whole mounts were stained with borax carmine.Early larval stages are completely undifferentiated; they develop, later, to the stage shown in Fig. 1. A plerocercoid with a fully developed scolex measures 3·5–8·0 mm long by 0·7–1·6 mm broad.The larva is composed mainly of faintly staining tissue resembling the parenchyma of adult cestodes. The scolex is withdrawn into a cavity, the receptaculum scolecis, in the anterior half of the plerocercoid. At the anterior extremity is a deep invagination from which, in early larval stages, the receptaculum scolecis begins to develop.
The Real Roger Widdrington
Authors: Forster Ann M. C. 
Published: May 2019

In an article by Fr. W. K. L. Webb, S.J. in Biographical Studies (Recusant History) vol. 2, pp. 216 ff, Roger Widdrington of Cartington, Northumberland, has been adequately cleared of the misconception which identified him as the author of works put out, under the alias of Roger Widdrington, by Thomas Preston. There is no need, therefore, to dwell further upon this point. The object of the present study is to present a picture of the real Roger Widdrington.He was born c. 1572, the second son of Edward Widdrington of Swinburne Castle, near Hexham, and Ursula Carnaby. His parents appear to have conformed, and it was as a Protestant that he visited Durham city one day in July 1594, to witness the execution of a seminary priest, now known to us as St John Boste.‘When the hangman, pulling out Mr. Boast's heart, showed it to the crowd, with a “Behold the heart of a traitor”, a voice was heard to the effect: “No, the heart of a servant of God”. At which Mr. Widdrington of Cartington, who heard the voice, was so struck, that he was thereupon reconciled to the Church’. (Account of the Rev. Mr. Yaxley, which he received from Widdrington Castle.)
PROPORZIONALISMO FRAZIONISMO E CRISI DEI PARTITI
Authors: Sartori Giovanni 
Published: May 2019

IntroduzioneMolti di coloro che negano l'efficacia dei sistemi elettorali si rifanno ancora aIle « leggi » formulate da Duverger nel 1950, leggi che sono indubbiamente mal formulate e per molti rispetti errate. Nel frattempo abbiamo fatto dei progressi e ne sappiamo di piú. Si vedano per esempio i due recenti volumi di Douglas Rae,The Political Consequences of Electoral Laws, e di Domenico Fisichella,Suiluppo democratico e sistemi elettorali. Da entrambi l'incidenza dei sistemi elettorali risulta abbondantemente confermata e analiticamente precisata, Per restare, comunque, al terreno coperto da Duverger, alcuni anni orsono indicavo cinque «leggi », o regole, che qui trascrivo anche perche risulti chiara la differenza.
After the care journey: exploring the experiences of family carers of people living with dementia
Authors: Jameson Sonja , Parkinson Lynne , Banbury Annie 
Published: June 2019

AbstractWhile the burden of caring for people living with dementia has been well documented, considerably less is known about how carers transition into post-care life. This study aimed to understand the experiences of primary family care-givers of people with dementia after the person with dementia has died. A specific focus of the research was understanding the barriers to transitioning into a positive post-care life, and facilitators that help sustain carers as they move forward after their care journey has ended. A qualitative exploratory, descriptive study was undertaken with nine primary carers for a family member who died with dementia (five spouses and four adult children). Semi-structured face-to-face or telephone interviews were conducted with carers between July and August 2016. Interview transcripts were analysed using a thematic approach. A number of factors that can act as barriers or facilitators to transition for carers were identified. Contextualising loss, restructuring identity, psychological health issues and the influence of social attitudes seemed to have a strong influence on carer outcomes. The findings highlight the need for further systematic social and informational support for carers to moderate post-care trajectories and improve carer transition.
Graph-Based Registration and Blending for Undersea Image Stitching
Authors: Yang Xu , Liu Zhi-Yong , Qiao Hong , Su Jian-Hua , Ji Da-Xiong , Zang Ai-Yun , Huang Hai 
Published: May 2019

SummaryImage stitching is important for the perception and manipulation of undersea robots. In spite of a well-developed technique, it is still challenging for undersea images because of their inevitable appearance ambiguity caused by the limited light in the undersea environment, and local disturbance caused by moving objects, ocean current, etc. To get a clean and stable background panorama in the undersea environment, this paper proposes an undersea image-stitching method by introducing graph-based registration and blending procedures. Specifically, in the registration procedure, matching the features in each undersea image pair is formulated and solved by graph matching, to incorporate the structural information between features. In the blending procedure, an energy function on the indirect graph Markov random field is proposed, which takes both image consistency and neighboring consistency into consideration. Coincidentally, both graph matching and energy minimization can be mathematically formulated by integer quadratic programming problems with different constraints; the recently proposed graduated nonconvexity and concavity procedure is used to optimize both problems. Experiments on both synthetic images and real-world undersea images witness the effectiveness of the proposed method.