Title Participants Abstract "Theoretical study on the mechanisms and kinetics of the β-elimination of 2,2-dihaloethyltrihalosilanes (X = F, Cl, Br) compounds: a DFT study along with a natural bond orbital analysis" "Ahmad Reza Oliaey, Abolfazl SHIROUDI, Ehsan Zahedi, Michael DELEUZE" "The β-elimination kinetics of 2,2-dihaloethyltrihalosilanes in the gas phase has been studied computationally using density functional theory (DFT) along with the M06-2x exchange–correlation functional and the aug-cc-pVTZ basis set. The calculated energy profiles have been supplemented with calculations of rate constants under atmospheric pressure and in the fall-off regime, by means of transition state theory (TST), variational transition state theory (VTST), and statistical Rice–Ramsperger–Kassel–Marcus (RRKM) theory. Activation energies and rate constants obtained using the M06-2x/aug-cc-pVTZ approaches are in good agreement with the available experimental data. Analysis of bond order, natural bond orbitals, and synchronicity parameters suggests that the β-elimination of the studied compounds can be described as concerted and slightly asynchronous. The transition states of these reactions correspond to four-membered cyclic structures. Based on the optimized ground state geometries, a natural bond orbital (NBO) analysis of donor–acceptor interactions also show that the resonance energies related to the electronic delocalization from σC1−C2 bonding orbitals to σ∗C2−Si3 antibonding orbitals, increase from 2,2-difluoroethyltrifluorosilane to 2,2-dichloroethyltrichlorosilane and then to 2,2-dibromoethyltriboromosilane. The decrease of σC1−C2 bonding orbitals occupancies and increase of the σ∗C2−Si3 antibonding orbitals occupancies through σC1−C2→σ∗C2−Si3 delocalizations could facilitate the β-elimination of the 2,2-difluoroethyltrifluorosilane compound, compared to 2,2-dichloroethyltrichlorosilane and 2,2-dibromoethyltriboromosilane." "A comparative theoretical study on the solvent dependency of anthocyanin extraction profiles" "Kim Phan, Elias Van Den Broeck, Katleen Raes, Karen De Clerck, Veronique Van Speybroeck, Steven De Meester" "Combustion of ethylamine, dimethylamine and diethylamine : theoretical and kinetic modeling study" "Cato Pappijn, Florence Vermeire, Ruben Van de Vijver, Kevin Van Geem" "The retrospective acceptability of high intensity versus low intensity speech intervention in children with a cleft palate : a qualitative study from the parents’ point of view using the Theoretical Framework of Acceptability" "Cassandra Alighieri, Kristiane Van Lierde, Laure Vanoost, Kim Bettens" "Background Increasing attention is paid to the effectiveness of high-intensity speech intervention in children with a cleft (lip and) palate (CP +/- L). It is, however, unknown if high-intensity intervention is acceptable to the intervention recipients. Parents have an integral role in supporting their children with intervention highlighting the importance of intervention acceptability to parents. Aims To compare the retrospective acceptability of high-intensity speech intervention (10 1-hr speech therapy sessions divided over 2 weeks) with the retrospective acceptability of low-intensity speech intervention (10 1-hr speech therapy sessions divided over 10 weeks) for children with a CP +/- L from the parents' point of view. Methods & Procedures Twelve parents of 12 children, aged 6-0 years who received high-intensity speech intervention (n = 6) or low-intensity speech intervention (n = 6), were invited to participate in this study. Seven parents (n = 3 in the high-intensity group and n = 4 in the low-intensity group) agreed to participate (total response rate: 7/12, 58.33%). A qualitative study design using semi-structured interviews was applied. To investigate the retrospective acceptability of the two intervention intensities, deductive coding according to the Theoretical Framework of Acceptability (TFA) was used. Outcomes & Results With regard to the TFA construct 'affective attitude', results demonstrated that parents had positive feelings about the provided speech intervention regardless of the intensity. Parents of children who received high-intensity speech intervention reported two specific benefits related to the high intervention intensity: (1) it improved their relationship with the speech-language pathologist and (2) it improved their child's ability to make self-corrections in his/her speech. Even though both high-intensive and low-intensity speech intervention were considered burdensome (TFA construct 'burden'), parents were less likely to drop out of high-intensity intervention because the total intervention period was kept short. Conclusions & Implications In conclusion, high-intensity speech intervention seemed acceptable to parents. More positive codes were identified for some of the TFA constructs in the high-intensity intervention group than in the low-intensity intervention group. Considering that some parents doubted their self-efficacy to participate in high-intensity speech intervention, speech-language pathologists need to counsel them so that they can adhere to the high intervention intensity. Future studies should investigate whether high-intensity speech intervention is also acceptable to the children who receive the intervention and to the speech-language pathologists who deliver the intervention. What this paper adds What is already known on this subject Increasing attention is paid to the effectiveness of high-intensity speech intervention in children with a cleft (lip and) palate (CP +/- L). Different quantitative studies have shown positive speech outcomes after high-intensity cleft speech intervention. Despite this increasing attention to high-intensity speech intervention, it is unknown whether high-intensity intervention is also acceptable to the intervention recipients. This study compared the retrospective acceptability of high-intensity speech intervention (10 1-hour speech therapy sessions divided over 2 weeks) with the retrospective acceptability of low-intensity speech intervention (10 1-hour speech therapy sessions divided over 10 weeks) in children with a CP +/- L from the parents' point of view. What this paper adds to existing knowledge More positive codes were identified for some of the TFA constructs in the high-intensity intervention group than in the low-intensity intervention group. Nevertheless, some parents doubted their self-efficacy to participate in high-intensity speech intervention. What are the potential or actual clinical implications of this work? The findings of this study forces us to reconsider the traditional cleft speech intervention delivery models which usually consist of low-intensity intervention. Speech-language pathologists need to counsel parents and so that they can adhere to the high intervention intensity." "Study of strength durability models for grc: theoretical overview" "Petra Van Itterbeeck, Phil Purnell, Heidi Cuypers, Jan Wastiels" "Durability of glass fibre reinforced concrete (GRC) remains a widely studied topic, despite significant material optimization over recent decades. Evaluation of strength durability normally employs accelerated ageing tests involving immersion of specimens in water at a range of temperatures for various durations. These results are then used to calibrate a number of strength durability models available in the literature. Here we present an overview of some of these models, all based on similar assumptions regarding the fundamental strength loss process, examining their robustness. First, the calibration procedure is examined; secondly the influence of quantity and quality of accelerated ageing test results on the determination of model parameters is discussed. The solution spaces are inspected for multiple minima which might lead to non-unique solutions of model parameters for a given test scheme. Parameter studies are also performed in order to establish whether some models are prone to inherent calibration problems." "Theoretical study of the impact of stress on the behavior of intrinsic point defects in large-diameter defect-free Si crystals" "Koji Sueoka, Eiji Kamiyama, Jan Vanhellemont" "For the development of the crystal pulling process for 450 mm-diameter defect-free Si crystals, the impact of thermal stress on intrinsic point defect behavior during crystal growth is studied using extensive density functional theory calculations. The impact of thermal stress on the so-called Voronkov criterion and on void formation is clarified and compared with published experimental results." "Gays on the small screen: a queer theoretical study into articulations of queer resistance in contemporary television fiction" "Frederik Dhaenens" "Bringing light into the dark side of identity: theoretical and clinical applications: a case study" "Henk Weymeis" "An in-depth analysis of theoretical frameworks for the study of care coordination" "Sabine Van Houdt, Jan Heyrman, Kris Vanhaecht, Jan De Lepeleire" "Introduction Complex chronic conditions often require long-term care from various healthcare professionals. Thus, maintaining quality care requires care coordination. Concepts for the study of care coordination require clarification to develop, study and evaluate coordination strategies. In 2007, the Agency for Healthcare Research and Quality defined care coordination and proposed five theoretical frameworks for exploring care coordination. This study aimed to update current theoretical frameworks and clarify key concepts related to care coordination. Methods We performed a literature review to update existing theoretical frameworks. An in-depth analysis of these theoretical frameworks was conducted to formulate key concepts related to care coordination. Results Our literature review found seven previously unidentified theoretical frameworks for studying care coordination. The in-depth analysis identified fourteen key concepts that the theoretical frameworks addressed. These were external factors, structure, tasks characteristics, cultural factors, knowledge and technology, need for coordination, administrative operational processes, exchange of information, defining and sharing goals, definition and awareness of roles among caregivers, the quality of relationships, patient outcome, team outcome, and(inter)organizational outcome. Conclusion These 14 interrelated key concepts provide a base to develop or choose a framework for studying care coordination. The relational coordination theory and the multi-level framework are interesting as these are the most comprehensive." "Analysis of Silences in Music: Theoretical Perspectives, Analytical Examples from Twentieth-Century Music, and In-Depth Case Study of Webern’s Op. 27/iii" "Bohdan Syroyid Syroyid" "Silences have recurrently been a concern for whoever wrote about music. Despite the large amount of musicological literature available on the topic, much of the treatment that silences have received in the past is rather philosophical or speculative: Does silence exist? Is silence music? These musicological discussions sprung out as a reaction to John Cage's provocative and controversial composition 4'33''. Acknowledging the inexistence of an absolute absence of sounds does not eradicate the concept of musical silence. The presence of notated silences can be traced back to Ancient Greek music extending down to present day. These silences are an integral part of a musical composition, but only occasionally they receive some sort of analytical discussion. Are silences susceptible to a deeper music analysis? What constructive functions do silences display in a music composition? How do silences interact with surrounding musical elements? Answering these questions is a major concern for supporting the musicality of silence. The original contribution to knowledge that this dissertation offers is a unification of theoretical perspectives under a common framework with the purpose of suggesting a method for the music analysis of notated acoustic silences. This method provides a foundation for musicologists interested in conducting further research on the silence usage of various composers. Equally, the theory itself is susceptible to further expansion with the creation of new categories or with a rearrangement of existing ones. The method has the potential of stimulating a creative implementation by composers involved in experiments with silences. For performers, analyzing musical silences can lead to an increase in aural awareness, a deeper appreciation of the musical value of silences, as well as a better-informed performance practice. Ten theoretical perspectives for the analysis of musical silences are retrieved, summarized, and discussed. This literature review is illustrative of the diversity of possible interpretations on the functions of silence, but it should not be regarded as representative of all the available writings on the topic. The extensibility of these theoretical approaches to twentieth century music is defended by means of several original analytical examples. Most of these theoretical approaches grant relatively little importance to acoustic silences, since these approaches strongly rely on the examination of sheet music (notated silence). Furthermore, a wide range of terms has been encountered for addressing relatively similar categories, without reaching a consensus between the authors that were surveyed. The issue of terminology is tackled with the proposition of an original method for the analysis of silences. This method aims to unify the perspectives formerly described in three stages: identification, description, and analysis. Identification is conducted on both sheet music and audio recordings with the display of waveforms or spectrograms. In the second stage, notated acoustic silences are compared in terms of length. Also, some specific categories are drawn for describing the timbre and the dynamics in acoustic silences. The final stage, analysis, offers ten pathways for assessing the constructive functions of silence. These functions comprise the interaction of silence with rhythm, dynamics, pitch, timbre, texture, form, expectations, continuity, evocations and the phenomenon of tension-repose. The analysis of Webern's Op. 27/iii reveals how silences are deeply organized in this piece. There is a progressive increase in the frequency of rests towards Variation IV, the climax of the movement. Rhythmic ambiguity as well as the emergence of patterns is triggered through the presence of notated silences. Pitch classes are also assembled through varied types of symmetrical structures. However, in many cases, notated silences are filled by the resonance of the sustain pedal or by the prolongation of preceding sounds. In some cases, this is done to increase the amount of accumulated tension before releasing it by means of a longer silence. Significant levels of discrepancy in the lengths of silences have been registered between the notated and acoustic forms. A particularly remarkable expansion of acoustic durations can be found in the anticlimactic silence that separates the last two variations. Silences also define two contrasting textures (fragmented versus continuous) which progressively evolve across the movement reaching a synthesis in Variation V. These paths are convoluted by the addition and subtraction of silences for expressive purposes as reveals a comparative analysis of five recordings. Some of the notated silences can be interpreted as textural fragmentation or omission. In addition, silences contribute to formal segmentation, acting as joints between the Theme and the ensuing Variations. Repeatedly, silences are used to contradict the expectations of hearing a regular predictable pattern, leaning towards a state of continuous textural development. These numerous changes invoke a highly unstable condition. Silences prove to be a powerful device for molding the flow of tension-repose. Likewise, silences drive a fervent juxtaposition of contrasting emotional states in Webern's Op. 27."