Determination of quantum labels based on projections of the total angular momentum on the molecule-fixed axis

Molecular line lists, particularly those computed for high temperature applications, often have very few states assigned local quantum numbers, i.e rotational and vibrational quantum labels. These are often important components for accurately determining line shape parameters required for radiative transfer simulations. Through variational calculations, the projection of the total angular momentum onto the molecule fixed axis (k) is investigated in the Radau internal coordinate system to determine when it can be considered a good quantum number. In the Radau coordinate system, when the square of the th component of the wavefunction is greater than one half, then we can classify k as a good quantum number in accordance with the theorem of Hose and Taylor, a quantum analogue of the Kolmogorov–Arnold–Moser theorem. When the theorem is satisfied, it is shown that k can reliably be used to determine oblate and prolate quantum labels K and K . This approach is tested on the states of the water and ozone molecules

ExoMol line lists – XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)

Silicon dioxide (SiO2) is expected to occur in the atmospheres of hot rocky super-Earth exoplanets but a lack of spectroscopic data is hampering its possible detection. Here, we present the first, comprehensive molecular line list for SiO2. The line list, named OYT3, covers the wavenumber range 0 – 6000 cm−1 (wavelengths λ > 1.67 μm) and is suitable for temperatures up to T = 3000 K. Almost 33 billion transitions involving 5.69 million rotation-vibration states with rotational excitation up to J = 255 have been computed using robust first-principles methodologies. The OYT3 line list is available from the ExoMol database at http://www.exomol.com

Calculated line lists for H216O and H218O with extensive comparisons to theoretical and experimental sources including the HITRAN2016 database

New line lists are presented for the two most abundant water isotopologues; H216O and H218O. The H216O line list extends to 25710 cm with intensity stabilities provided via ratios of calculated intensities obtained from two different semi-empirical potential energy surfaces. The line list for H218O extends to 20000 cm. The minimum intensity considered for all is cm molecule at 296 K, assuming 100% abundance for each isotopologue. Fluctuation of calculated intensities caused by changes in the underlying potential energy are found to be significant, particularly for weak transitions. Direct comparisons are made against eighteen different sources of line intensities, both experimental and theoretical, many of which are used within the HITRAN2016 database. With some exceptions, there is excellent agreement between our line lists and the experimental intensities in HITRAN2016. In the infrared region, many H216O bands which exhibit intensity differences of 5–10% between to the most recent ’POKAZATEL’ line list (Polyansky et al., [Mon. Not. Roy. Astron. Soc. 480, 2597 (2018)] and observation, are now generally predicted to within 1%. For H218O, there are systematic differences in the strongest intensities calculated in this work versus those obtained from semi-empirical calculations. In the visible, computed cross sections show smaller residuals between our work and both HITRAN2016 and HITEMP2010 than POKAZATEL. While our line list accurately reproduces HITEMP2010 cross sections in the observed region, residuals produced from this comparison do however highlight the need to update line positions in the visible spectrum of HITEMP2010. These line lists will be used to update many transition intensities and line positions in the HITRAN2016 database

A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet

A new global and highly accurate ab initio dipole moment surface (DMS) for water vapour is presented. This DMS is based on a set of 17 628 multi-reference configuration interaction data points that were calculated with the aug-cc-pCV6Z basis set with the Douglas-Kroll-Hess Hamiltonian; tests are performed at several other levels of ab initio theory. This new "CKAPTEN" DMS improves agreement with recent experimental measurements compared with previous models that poorly predicted some bands in the infrared while also maintaining or improving on the agreement for all remaining strong lines. For high overtones located in both the visible and the near ultraviolet regions, our predicted intensities all lie within 10% of recent atmospheric observations. A crossing of energy levels in the ν1 fundamental and 2ν2 states is seen to offset transition intensities in the ν1 fundamental band; residual inaccuracies within the potential energy surface used is the cause of this problem

He Scores Through a Screen: Mediating Masculinities Through Hockey Video Games

Hockey video games highlight the ways in which the video game medium shapes and conditions the experience of producing and/or performing the sport “in real life.” Indeed, the accumulation of advanced statistics in and through the constant evaluation, measurement, and surveillance which are inherent to video games—and increasingly seen as foundational for sport—reveals important contradictions not only in the way the embodied sport is played and understood, but also in terms of the proofs of masculinity upon which the sport is built. It then becomes clear that the building of masculinity and the empowerment of the character become one and the same. The ludic function reinforces the cultural imperative and vice versa. Thus, our chapter prizes apart the conflation of masculinity with hockey while showing the ways that video game studies can contribute to existing disciplines

Visual Working Memory Capacity Does Not Modulate the Feature-Based Information Filtering in Visual Working Memory

Background: The limited capacity of visual working memory (VWM) requires us to select the task relevant information and filter out the irrelevant information efficiently. Previous studies showed that the individual differences in VWM capacity dramatically influenced the way we filtered out the distracters displayed in distinct spatial-locations: low-capacity individuals were poorer at filtering them out than the high-capacity ones. However, when the target and distracting information pertain to the same object (i.e., multiple-featured object), whether the VWM capacity modulates the featurebased filtering remains unknown. Methodology/Principal Findings: We explored this issue mainly based on one of our recent studies, in which we asked the participants to remember three colors of colored-shapes or colored-landolt-Cs while using two types of task irrelevant information. We found that the irrelevant high-discriminable information could not be filtered out during the extraction of VWM but the irrelevant fine-grained information could be. We added 8 extra participants to the original 16 participants and then split the overall 24 participants into low- and high-VWM capacity groups. We found that regardless of the VWM capacity, the irrelevant high-discriminable information was selected into VWM, whereas the irrelevant fine-grained information was filtered out. The latter finding was further corroborated in a second experiment in which the participants were required to remember one colored-landolt-C and a more strict control was exerted over the VWM capacity

Using fahp-vikor for operation selection in the flexible job-shop scheduling problem: A case study in textile industry

Scheduling of Flexible Job Shop Systems is a combinatorial problem which has been addressed by several heuristics and meta-heuristics. Nevertheless, the operation selection rules of both methods are limited to an ordered variant wherein priority-dispatching rules are not simultaneously deemed in the reported literature. Therefore, this paper presents the application of dispatching algorithm with operation selection based on Fuzzy Analytic Hierarchy Process (FAHP) and VIKOR methods while considering setup times and transfer batches. Dispatching, FAHP, and VIKOR algorithms are first defined. Second, a multi-criteria decision-making model is designed for operation prioritization. Then, FAHP is applied to calculate the criteria weights and overcome the uncertainty of human judgments. Afterwards, VIKOR is used to select the operation with the highest priority. A case study in the textile industry is shown to validate this approach. The results evidenced, compared to the company solution, a reduction of 61.05% in average delay

The Effects of Two Types of Sleep Deprivation on Visual Working Memory Capacity and Filtering Efficiency

Sleep deprivation has adverse consequences for a variety of cognitive functions. The exact effects of sleep deprivation, though, are dependent upon the cognitive process examined. Within working memory, for example, some component processes are more vulnerable to sleep deprivation than others. Additionally, the differential impacts on cognition of different types of sleep deprivation have not been well studied. The aim of this study was to examine the effects of one night of total sleep deprivation and 4 nights of partial sleep deprivation (4 hours in bed/night) on two components of visual working memory: capacity and filtering efficiency. Forty-four healthy young adults were randomly assigned to one of the two sleep deprivation conditions. All participants were studied: 1) in a well-rested condition (following 6 nights of 9 hours in bed/night); and 2) following sleep deprivation, in a counter-balanced order. Visual working memory testing consisted of two related tasks. The first measured visual working memory capacity and the second measured the ability to ignore distractor stimuli in a visual scene (filtering efficiency). Results showed neither type of sleep deprivation reduced visual working memory capacity. Partial sleep deprivation also generally did not change filtering efficiency. Total sleep deprivation, on the other hand, did impair performance in the filtering task. These results suggest components of visual working memory are differentially vulnerable to the effects of sleep deprivation, and different types of sleep deprivation impact visual working memory to different degrees. Such findings have implications for operational settings where individuals may need to perform with inadequate sleep and whose jobs involve receiving an array of visual information and discriminating the relevant from the irrelevant prior to making decisions or taking actions (e.g., baggage screeners, air traffic controllers, military personnel, health care providers)

Knowledge sharing in a non-native language context: Challenges and strategies

Knowledge sharing is a language-based activity. With the rise of multilingual workforces and the adoption of common corporate languages such as English, knowledge sharing is happening in non-native language contexts more than ever before. This paper explores the challenges and strategies of knowledge sharing in a non-native language at the individual level. For this purpose, an exploratory case study was conducted in a multinational organization. Results show that the use of a non-native language can make knowledge sharing an ambiguous and costly process, eroding some of the benefits of knowledge sharing. It was found that employees adopt three different strategies to deal with problems in the knowledge-sharing process caused by the use of a nonnative language. These strategies—namely discourse adjustment, language adjustment, and media adjustment—play an important role in the successful exchange of knowledge between linguistically diverse individuals

Microbiology of airway disease in a cohort of patients with Cystic Fibrosis

BACKGROUND: Recent reports document an increasing incidence of new Gram-negative pathogens such as Stenotrophomonas maltophilia and Alcaligenes xylosoxidans isolated from patients with Cystic Fibrosis, along with an increase in common Gram-negative pathogens such as Pseudomonas aeruginosa and Burkholderia cepacia complex. Furthermore, the increase in multidrug-resistance of such organisms makes the therapeutic management of these patients more problematic. Therefore, careful isolation and identification, and accurate studies of susceptibility to antibiotics are critical for predicting the spread of strains, improving therapeutic measures and facilitating our understanding of the epidemiology of emerging pathogens. The first aim of this study was to determine the incidence and the prevalence of colonization by Gram-negative organisms isolated from respiratory samples of Cystic Fibrosis patients in the Regional Referral Cystic Fibrosis Centre of Naples; the second was to evaluate the spectrum of multidrug-resistance of these organisms. METHODS: Patients (n = 300) attending the Regional Cystic Fibrosis Unit were enrolled in this study over 3 years. Sputum was processed for microscopic tests and culture. An automated system, Phoenix (Becton Dickinson, Sparks, Maryland, USA), was used for phenotypic identification of all strains; the API 20 NE identification system (bioMérieux, Marcy l'Etoile, France) was used when the identification with the Phoenix system was inaccurate. A PCR-RFLP method was used to characterize the organisms in the Burkholderia cepacia complex. A chemosusceptibility test on microbroth dilutions (Phoenix) was used. Primary outcomes such as FEV1 were correlate with different pathogens. RESULTS: During the period of study, 40% of patients was infected by Pseudomonas aeruginosa, 7% by Burkholderia cepacia complex, 11% by Stenotrophomonas maltophilia and 7% by Alcaligenes xylosoxidans. Of the strains isolated, 460 were multidrug-resistant. Multiresistant were Pseudomonas aeruginosa and Burkholderia cepacia complex. CONCLUSION: The results confirm previously reported data; in particular, they show an increase the isolation of non-fermentative Gram-negative bacteria in Cystic Fibrosis patients. They also demonstrate increased resistance to antibiotics. Beta-lactams are rarely effective, with exception of ceftazidime, which is the most efficacious agent against multiresistant strains. Aminoglycosides and quinolones are poorly efficacious