Experiments on Multidimensional Solitons

This article presents an overview of experimental efforts in recent years related to multidimensional solitons in Bose-Einstein condensates. We discuss the techniques used to generate and observe multidimensional nonlinear waves in Bose-Einstein condensates with repulsive interactions. We further summarize observations of planar soliton fronts undergoing the snake instability, the formation of vortex rings, and the emergence of hybrid structures.Comment: review paper, to appear as Chapter 5b in "Emergent Nonlinear Phenomena in Bose-Einstein Condensates: Theory and Experiment," edited by P. G. Kevrekidis, D. J. Frantzeskakis, and R. Carretero-Gonzalez (Springer-Verlag

Binding methane to a metal centre

The σ-alkane complexes of transition metals, which contain an essentially intact alkane molecule weakly bound to the metal, have been well established as crucial intermediates in the activation of the strong C–H σ-bonds found in alkanes. Methane, the simplest alkane, binds even more weakly than larger alkanes. Here we report an example of a long-lived methane complex formed by directly binding methane as an incoming ligand to a reactive organometallic complex. Photo-ejection of carbon monoxide from a cationic osmium–carbonyl complex dissolved in an inert hydrofluorocarbon solvent saturated with methane at −90 °C affords an osmium(II) complex, [η5-CpOs(CO)2(CH4)]+, containing methane bound to the metal centre. Nuclear magnetic resonance (NMR) spectroscopy confirms the identity of the σ-methane complex and shows that the four protons of the metal-bound methane are in rapid exchange with each other. The methane ligand has a characteristically shielded 1H NMR resonance (δ –2.16), and the highly shielded carbon resonance (δ –56.3) shows coupling to the four attached protons (1JC–H = 127 Hz). The methane complex has an effective half-life of about 13 hours at –90 °C. [Figure not available: see fulltext.]

[Fp(CH4)]+, [η5-CpRu(CO)2(CH4)]+, and [η5-CpOs(CO)2(CH4)]+: A Complete Set of Group 8 Metal–Methane Complexes

Here, we report the NMR spectroscopic analysis of the group 8 transition metal methane σ-complexes [η5-CpM(CO)2(CH4)][Al(OC(CF3)3)4] (M = Fe, Ru) at −90 °C in the weakly coordinating solvent 1,1,1,3,3,3-hexafluoropropane. The iron(II)–methane complex has a 1H resonance at δ −4.27, a 13C resonance at δ −53.0, and 1JC–H = 126 Hz for the bound methane fragment. The ruthenium(II)–methane complex has a 1H resonance at δ −2.10, a 13C resonance at δ −48.8, and a 1JC–H = 126 Hz for the bound methane fragment. DFT and ab initio calculations support these experimental observations and provide further detail on the structures of the [η5-CpM(CO)2(CH4)]+ (M = Fe, Ru) complexes of the Group 8 metals. Both the iron centered methane complex, [η5-CpFe(CO)2(CH4)][Al(OC(CF3)3)4], and the ruthenium centered methane complex, [η5-CpRu(CO)2(CH4)][Al(OC(CF3)3)4], are significantly less stable than the previously reported osmium–methane complex [η5-CpOs(CO)2(CH4)][Al(OC(CF3)3)4]

Development and validation of a visual grading scale for assessing image quality of AP pelvis radiographic images

OBJECTIVE: Apply psychometric theory to develop and validate a visual grading scale for assessing visual perception of AP pelvis digital image quality. METHODS: Psychometric theory was used to guide scale development. Seven phantom and 7 cadaver images of visually and objectively predetermined quality were used to help assess scale reliability and validity. 151 volunteers scored phantom images; 184 volunteers scored cadaver images. Factor analysis and Cronbach’s alpha were used to assess scale validity and reliability. RESULTS: A 24 item scale was produced. Aggregated mean volunteer scores for each image correlated with the rank order of the visually and objectively predetermined image qualities. Scale items had good inter-item correlation (≥0.2) and high factor loadings (≥0.3). Cronbach's alpha (reliability) revealed that the scale has acceptable levels of internal reliability for both phantom and cadaver images (α= 0.8 and 0.9, respectively). Factor analysis suggested the scale is multidimensional (assessing multiple quality themes). CONCLUSION: This study represents the first full development and validation of a visual image quality scale using psychometric theory. It is likely that this scale will have clinical, training and research applications. ADVANCES IN KNOWLEDGE: This article presents data to create and validate visual grading scales for radiographic examinations. The visual grading scale, for AP pelvis examinations, can act as a validated tool for future research, teaching and clinical evaluations of image quality

Observation and Analysis of Large Dynamic Frequency Shifts in the 1H NMR Signals of H–D in Deuterium-Substituted Dihydrogen Complexes

A dynamic frequency shift (DFS) in the 1H NMR resonance of the HD unit of the deuterium-labeled dihydrogen complex [Ru(D)(η2-HD)(P3P3iPr)][BPh4] [P3P3iPr = P(CH2CH2CH2PiPr2)3] has been observed and analyzed. To the best of our knowledge, this is the first demonstration of the DFS for a H–D pair. The observed DFS of the center line relative to the outside lines in the H–D triplet is large, up to ∼11 Hz, because of the short H–D distance encountered in dihydrogen complexes. Analysis of the DFS as a function of the temperature, combined with density-functional-theory-calculated or least-squares-fitted electric-field-gradient (EFG) parameters, suggests an H–D bond length of 0.92–0.94 Å. A DFS was also observed in trans-[Fe(η2-HD)(H)(dppe)2]+, suggesting the DFS will be commonplace in dihydrogen complexes if appropriate conditions are employed for its observation. Possible applications of the DFS as a probe of the bond lengths, EFGs, and molecular motion, particularly in inorganic systems, are discussed

Large-scale comparative genomic ranking of taxonomically restricted genes (TRGs) in bacterial and archaeal genomes

BACKGROUND: Lineage-specific, or taxonomically restricted genes (TRGs), especially those that are species and strain-specific, are of special interest because they are expected to play a role in defining exclusive ecological adaptations to particular niches. Despite this, they are relatively poorly studied and little understood, in large part because many are still orphans or only have homologues in very closely related isolates. This lack of homology confounds attempts to establish the likelihood that a hypothetical gene is expressed and, if so, to determine the putative function of the protein. METHODOLOGY/PRINCIPAL FINDINGS: We have developed "QIPP" ("Quality Index for Predicted Proteins"), an index that scores the "quality" of a protein based on non-homology-based criteria. QIPP can be used to assign a value between zero and one to any protein based on comparing its features to other proteins in a given genome. We have used QIPP to rank the predicted proteins in the proteomes of Bacteria and Archaea. This ranking reveals that there is a large amount of variation in QIPP scores, and identifies many high-scoring orphans as potentially "authentic" (expressed) orphans. There are significant differences in the distributions of QIPP scores between orphan and non-orphan genes for many genomes and a trend for less well-conserved genes to have lower QIPP scores. CONCLUSIONS: The implication of this work is that QIPP scores can be used to further annotate predicted proteins with information that is independent of homology. Such information can be used to prioritize candidates for further analysis. Data generated for this study can be found in the OrphanMine at http://www.genomics.ceh.ac.uk/orphan_mine

The effects of cocoa flavanols on indices of muscle recovery and exercise performance: a narrative review

Abstract: Exercise-induced muscle damage (EIMD) is associated with oxidative stress and inflammation, muscle soreness, and reductions in muscle function. Cocoa flavanols (CF) are (poly)phenols with antioxidant and anti-inflammatory effects and thus may attenuate symptoms of EIMD. The purpose of this narrative review was to collate and evaluate the current literature investigating the effect of CF supplementation on markers of exercise-induced oxidative stress and inflammation, as well as changes in muscle function, perceived soreness, and exercise performance. Acute and sub-chronic intake of CF reduces oxidative stress resulting from exercise. Evidence for the effect of CF on exercise-induced inflammation is lacking and the impact on muscle function, perceived soreness and exercise performance is inconsistent across studies. Supplementation of CF may reduce exercise-induced oxidative stress, with potential for delaying fatigue, but more evidence is required for any definitive conclusions on the impact of CF on markers of EIMD

Copper-catalysed selective hydroamination reactions of alkynes

The development of selective reactions that utilize easily available and abundant precursors for the efficient synthesis of amines is a long-standing goal of chemical research. Despite the centrality of amines in a number of important research areas, including medicinal chemistry, total synthesis and materials science, a general, selective and step-efficient synthesis of amines is still needed. Here, we describe a set of mild catalytic conditions utilizing a single copper-based catalyst that enables the direct preparation of three distinct and important amine classes (enamines, α-chiral branched alkylamines and linear alkylamines) from readily available alkyne starting materials with high levels of chemo-, regio- and stereoselectivity. This methodology was applied to the asymmetric synthesis of ​rivastigmine and the formal synthesis of several other pharmaceutical agents, including ​duloxetine, ​atomoxetine, ​fluoxetine and ​tolterodine.National Institutes of Health (U.S.) (GM58160

The Role of Individual Variables, Organizational Variables and Moral Intensity Dimensions in Libyan Management Accountants’ Ethical Decision Making

This study investigates the association of a broad set of variables with the ethical decision making of management accountants in Libya. Adopting a cross-sectional methodology, a questionnaire including four different ethical scenarios was used to gather data from 229 participants. For each scenario, ethical decision making was examined in terms of the recognition, judgment and intention stages of Rest’s model. A significant relationship was found between ethical recognition and ethical judgment and also between ethical judgment and ethical intention, but ethical recognition did not significantly predict ethical intention—thus providing support for Rest’s model. Organizational variables, age and educational level yielded few significant results. The lack of significance for codes of ethics might reflect their relative lack of development in Libya, in which case Libyan companies should pay attention to their content and how they are supported, especially in the light of the under-development of the accounting profession in Libya. Few significant results were also found for gender, but where they were found, males showed more ethical characteristics than females. This unusual result reinforces the dangers of gender stereotyping in business. Personal moral philosophy and moral intensity dimensions were generally found to be significant predictors of the three stages of ethical decision making studied. One implication of this is to give more attention to ethics in accounting education, making the connections between accounting practice and (in Libya) Islam. Overall, this study not only adds to the available empirical evidence on factors affecting ethical decision making, notably examining three stages of Rest’s model, but also offers rare insights into the ethical views of practising management accountants and provides a benchmark for future studies of ethical decision making in Muslim majority countries and other parts of the developing world

The demands of training and match-play on elite and highly trained junior tennis players: A systematic review

Objective: Talented junior tennis players are exposed to high training loads and congested competition schedules. Understanding the demands of training and competition is important to prescribe training and recovery programmes that optimise performance. The purpose of this study was to systematically review and appraise the literature available on training and match-play demands in an elite and highly trained junior tennis population to inform practice and future research opportunities. Methods: A systematic search of PubMed, SPORTDiscus and Scopus databases was conducted according to the PRISMA guidelines in November 2021. The following keywords were used: ‘tennis’, ‘match-play’, ‘match’, ‘training’, ‘drill’, ‘practice’, ‘coaching’, ‘session’, ‘competition’ and ‘tournament’. Filters were applied to retrieve articles conducted on junior tennis players. Results: The search returned an initial 879 articles. Following the screening process, 21 articles were accepted for analysis. Articles were organised into four themes: training demands, match-play, court surface and recovery. Results highlighted that training sessions failed to induce the same physiological and perceptual demands imposed by tournament match-play. Rallies were 22% longer on clay courts, and associated with increased playing time, heart rate, blood lactate and ratings of perceived exertion compared with hard court surfaces. Competing in multiple matches per day negatively impacted performance indices including jumping, sprinting and change of direction. Increased ratings of muscle soreness, fatigue and pain were also reported. Conclusion: Additional work is warranted to substantiate these findings and determine the efficacy of current training strategies and competition demands imposed on elite and highly trained junior tennis players