bluuebunny/crossref_metadata_2025_split huggingface dataset:
Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering
Authors: Wall Michael E. 
Published: January 2018

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.
The fallacy of impact without relevance – reclaiming relevance and rigor
Authors: Narasimhan Ram 
Published: January 2018

Purpose
The purpose of this paper is to underscore the fundamental importance of relevance to an applied field such as supply chain management (SCM). It is argued that simultaneity of research rigor and relevance is necessary to assert claims of impact.

Design/methodology/approach
This paper acts as a reflective essay, inductive reasoning and prescriptive framework.

Findings
Impact needs to be evaluated based on both rigor and relevance, and not exclusively based on whether a paper is published in a “top-tier” journal. Without relevance, academic research in SCM will cease to be of practical importance.

Research limitations/implications
The primary limitation is that this is a conceptual paper relying on logical arguments.

Practical implications
The paper exhorts academics in SCM to recognize and insure practical relevance in their research. It develops strong arguments for why such a combined focus is needed and should be encouraged by journals.

Originality/value
Thought provoking paper intended to change how the field evaluates research for its impact. General strategies for increasing relevance in academic research are offered.
Students’ voices about information and communication technology in upper secondary schools
Authors: Olofsson Anders D. , Lindberg Ola J. , Fransson Göran 
Published: January 2018

Purpose
The purpose of this paper is to explore upper secondary school students’ voices on how information and communication technology (ICT) could structure and support their everyday activities and time at school.

Design/methodology/approach
In all, 11 group interviews were conducted with a total of 46 students from three upper secondary schools. NVivo PRO 11 was used for a qualitative content analysis.

Findings
The results show that ICT plays a central role in the students’ schooling, not in terms of “state-of-the-art” technology, but rather as “state-of-the-actual”, by for example supporting the writing process and for peer support, digital documentation and storage.

Research limitations/implications
A relatively small number of students in three schools and three specific programmes make generalisations difficult.

Practical implications
Students’ perspectives on the “state-of-the-actual” could influence teachers’ use of ICT in education, their professional development activities and the development of an in-school ICT infrastructure.

Social implications
The study could lead to a better understanding of students’ expectations and use of ICT at school and in everyday life.

Originality/value
The originality of this paper is the focus on students’ voices about how the basic use and functionality of ICT could structure and support their everyday activities at school.
A view on medical care globalization and medical tourism
Authors: Plianbangchang Samlee 
Published: January 2018

Purpose
The purpose of this paper is to disseminate among concerned professionals its certain operational aspects, including some possible implications on health and medical care practices.

Design/methodology/approach
It is written on the basis of the author’s special study of a diverse source of information, as well as on author’s practical experience and observation in this particular area.

Findings
Special attention is paid to possible public health impacts within a broad social and economic framework, as well as to its impacts on the existing national health care systems in countries, that would possibly lead to certain degree of inequity in health at national level as an important consequence of health development progress.

Originality/value
Knowledge and understanding gained from this paper might be useful in the efforts to develop and manage national health care systems to ensure a reasonable balance in health status of people of all groups.
Customer-company identification transfer across service alliances
Authors: Wolter Jeremy S. , Landers V. Myles , Brach Simon , Cronin J. Joseph 
Published: January 2018

Purpose
The purpose of this paper is to examine whether customer-company identification (CCI) can transfer from one organization to the next within the context of service alliances.

Design/methodology/approach
A between-subjects experiment using a fictitious alliance and a field study focused on a real alliance tests identification transfer at the time of a service alliance announcement and while the service alliance is in operation.

Findings
Identification transfer is enabled by an exclusive service alliance but not an inclusive one. For identification transfer to be maintained, customers must perceive the companies as a coherent group (i.e. high entitativity) and have close physical proximity to the alliance.

Originality/value
By drawing heavily on self-categorization theory for the proposed effects, the current research provides a new theoretical framework to the service and brand alliance literature that contrasts with the attitude-based theories commonly used. Furthermore, the current research explores how company-company relationships influence CCI whereas most research has focused on characteristics of the customer-company relationship. These two differences suggest service alliances provide more value to the companies and customers than currently realized.
Impact of quality management tools and techniques
Authors: Silombela Timothy , Mutingi Michael , Chakraborty Ayon 
Published: January 2018

Purpose
The purpose of this paper is to provide an understanding on the impact of quality management (QM) tools and techniques in water supply infrastructure maintenance and the generation of non-revenue water (NRW) by Namibian Municipal Water Distributors.

Design/methodology/approach
In-depth interviews were selected as the primary data collection method, while secondary data were collected using document review and observations. In-depth interviews as primary method provided rich data and details on the subject matter from the respondents. Document review and observations provided a holistic perspective and understanding of the context within which the maintenance projects are handled by municipal water distributors.

Findings
The study found that as the number of QM tools employed to analyze maintenance data increases, the generation of NRW by the municipality decreases. However, for the tools to be effective, they should cover applications such as problem identification, data analysis, process analysis, decision making, planning, quality control and statistical process control, this helped Namibian municipalities to produce low volumes of NRW. In contrast, municipalities using QM tools arbitrarily lead to high quantities of NRW generation.

Originality/value
The World Bank recommends that NRW should be less than 25 percent of the total water produced, while in many countries NRW is up to 60 percent. Developed economies have made efforts to reduce NRW but efforts are still at nascent stage in emerging economies. This is the first study providing evidences of QM tools application in maintenance process and effect on NRW.
Assessment of factors affecting maintenance management of hospital buildings in Jordan
Authors: Jandali Dana , Sweis Rateb 
Published: January 2018

Purpose
The purpose of this paper is to identify and assess the factors affecting maintenance management performance of hospital buildings in Amman, Jordan. Besides, the operational state was evaluated and the practices of maintenance management were assessed.

Design/methodology/approach
In total, 70 items were identified through a rigorous literature review, grouped into seven categories, and a framework was developed. Besides, practices of maintenance management were assessed and the operational state was evaluated. The data were collected through distributing questionnaires to maintenance department staff in all public and private hospitals in Amman, Jordan. In total, 219 questionnaires were obtained and the data were subjected to an exploratory factor analysis. As well, descriptive, correlation, and inferential analysis were performed.

Findings
The analysis proved that 14 items representing four factors had significant effect on maintenance management performance and a new framework was established. Additionally, the results showed that Amman’s hospitals were found to be in an average condition and maintenance management practices were assessed to be efficient.

Originality/value
There is a gap in the literature in terms of researching the factors affecting the maintenance management of the Jordanian hospitals which has been a subject of extensive interest to many. A framework of the factors affecting maintenance has been proposed for the country of Jordan which the authors hope that would be developed further in future studies.
Optimal stopping time of software system test via artificial neural network with fault count data
Authors: Begum Momotaz , Dohi Tadashi 
Published: January 2018

PurposeThe purpose of this paper is to present a novel method to estimate the optimal software testing time which minimizes the relevant expected software cost via a refined neural network approach with the grouped data, where the multi-stage look ahead prediction is carried out with a simple three-layer perceptron neural network with multiple outputs.Design/methodology/approachTo analyze the software fault count data which follows a Poisson process with unknown mean value function, the authors transform the underlying Poisson count data to the Gaussian data by means of one of three data transformation methods, and predict the cost-optimal software testing time via a neural network.FindingsIn numerical examples with two actual software fault count data, the authors compare the neural network approach with the common non-homogeneous Poisson process-based software reliability growth models. It is shown that the proposed method could provide a more accurate and more flexible decision making than the common stochastic modeling approach.Originality/valueIt is shown that the neural network approach can be used to predict the optimal software testing time more accurately.
Current developments in phototherapy for psoriasis
Authors: Morita Akimichi 
Published: January 2018

AbstractPhototherapy utilizes the beneficial effects of ultraviolet (UV) wavelengths to affect immunoregulatory functions. UV light phototherapy using narrowband UV‐B (NB‐UVB) and bath‐psoralen UV‐A (bath‐PUVA) therapy are well‐established treatments for psoriasis. Dual‐action mechanisms of UV phototherapy have been identified: apoptosis and immune suppression. NB‐UVB depletes pathogenic T cells by inducing apoptosis and regulatory T cells. Other wavelengths are also utilized for phototherapy, namely 308‐nm excimer light and 312‐nm flat‐typed NB‐UVB. Excimer light (308‐nm) therapy effectively targets the affected skin without unduly exposing other areas and increases the levels of regulatory T cells. Phototherapy improves impaired resting regulatory T cells and increases activated regulatory T cells in patients with psoriasis. Intensive studies of phototherapy effects have led to several improvements in the design, protocols, and light sources, such as UV light‐emitting diodes, thereby providing several options for patients with refractory skin disease, such as psoriasis.
Innovative Behaviour: How Much Transformational Leadership Do You Need?
Authors: Bednall Timothy C. , E. Rafferty Alannah , Shipton Helen , Sanders Karin , J. Jackson Chris 
Published: January 2018

AbstractStudies on the effects of transformational leadership on employee innovative behaviour have yielded mixed results. The authors argue that one possible explanation for these mixed findings is that researchers have assumed a linear relationship between these constructs. In contrast, they suggest that the relationship between transformational leadership and innovative behaviour is non‐linear. Specifically, the authors argue that the positive effects of transformational leadership on innovative behaviour will be stronger at low and high levels of transformational leadership. Moreover, they examine whether the relationship between transformational leadership and innovative behaviour is mediated by knowledge sharing within and between teams. The authors undertake a constructive replication by testing these hypothesized relationships in two studies: (1) a multi‐actor team‐level study conducted in the USA, and (2) a longitudinal employee‐level study of teachers in the Netherlands. Results of both studies reveal that knowledge sharing mediates the relationship between transformational leadership and innovative behaviour, and that the indirect relationship is curvilinear. The authors link these findings to leader substitution theory, proposing that employees turn to their peers and other parties when there is an absence of effective leadership.
Cross‐lagged panel analysis of reciprocal effects of morphological processing and reading in Chinese in a multilingual context
Authors: Zhang Dongbo , Koda Keiko , Leong Che Kan , Pang Elizabeth 
Published: January 2018

BackgroundWhile much is known about how morphological awareness (MA) contributes to reading development, little attention has been paid to how reading may conversely affect MA development, particularly in readers of Chinese in a bilingual/multilingual setting.MethodsThe study adopted a cross‐lagged panel design. Young bilingual readers of Chinese were measured in MA, word reading and reading comprehension – all in Chinese – twice from Grade 3 to Grade 4.ResultsPath analysis revealed that Grade 3 MA significantly predicted Grade 4 reading comprehension after controlling for the autoregressive effect. Over and above Grade 3 MA, Grade 3 reading also significantly predicted Grade 4 MA. Subsequent analyses, however, revealed disparate developmental patterns between those with Chinese and English, respectively, as their home language.ImplicationsThese findings, while supporting reciprocity of developmental relationships between MA and reading, also suggested that the pattern of relationships can vary as a function of students' target language experiences in a bilingual/multilingual setting.
Electoral volatility and parties’ ideological responsiveness
Authors: DASSONNEVILLE RUTH 
Published: January 2018

AbstractFor a number of decades now, scholars have been indicating that ties between citizens and parties are eroding. As a consequence, electoral behaviour has become more volatile and also more unpredictable. The consequences of this process of change on parties’ strategic behaviour have, however, received little attention. In this article, the impact of dealignment on parties’ strategic behaviour is examined, with the focus being on the extent to which parties are responsive to the mean voter. The expectation of dealignment allowing parties ‘to move around more freely’ leads to the hypothesis that parties are more responsive in a context of dealignment. The analyses provide evidence that is in line with this expectation. Ideological responsiveness is conditioned by the level of volatility in the electorate. The conclusion to draw from these results is that dealignment, which profoundly affects voters’ behaviour, leads parties to become more responsive to the mean voter.
Serum Endocan Levels are Associated With Paraoxonase 1 Concentration in Patients With Chronic Kidney Disease
Authors: Samouilidou Elisabeth , Bountou Eirini , Papandroulaki Fotini , Papamanolis Manolis , Papakostas Dimitris , Grapsa Eirini 
Published: January 2018

AbstractEndocan is a soluble proteoglycan released by the vascular endothelium. The increase of its serum levels is associated with inflammation, endothelial dysfunction and cardiovascular events in patients with chronic kidney disease (CKD). We studied the association of serum endocan with the lipid profile of 105 CKD patients with dyslipidemia, divided in two groups, non‐dialyzed (CKD, N = 57) and hemodialysis (HD, N = 48) in comparison with 30 normal controls (NC). We also analyzed endocan in relation with the concentration of two serum HDL‐linked members of the paraoxonase (PON) family, PON1 and PON3, which have been previously found to have antiatherogenic properties. The results showed that endocan levels were significantly higher in HD patients than in CKD patients (P < 0.001) and NC (P < 0.001). PON1 was significantly decreased only in HD patients compared to NC (P < 0.001), whereas PON3 was significantly increased in both patient groups (P < 0.001). Endocan levels were significantly and positively correlated with total cholesterol and LDL‐C in CKD and additionally were negatively correlated with HDL‐C in HD group. PON1 levels were significantly correlated with endocan in both groups, while no correlation was observed for PON3 in either group. Multiple regression analysis between endocan and the above lipid parameters in the total of patients revealed that endocan was independently associated only with PON1 (β = −0.513, P = 0.002). It is concluded that the increase of serum endocan levels in patients with CKD may be associated with the decrease of PON1 concentration, irrespective of lipid alterations produced by atherosclerosis development.
Influence of Selected Saccharomyces and Schizosaccharomyces Strains and Their Mixed Cultures on Chemical Composition of Apple Wines
Authors: Satora Paweł , Semik‐Szczurak Dorota , Tarko Tomasz , Bułdys Andrzej 
Published: January 2018

AbstractCurrently in apple winemaking, pure cultures of Saccharomyces cerevisiae and S. bayanus strains are mainly used. The aim of this study was to determine the influence of Saccharomyces cerevisiae (Johannisberg Riesling – LOCK 105), S. bayanus (DSMZ 3774), S. paradoxus (CBS 7302), and Schizosaccharomyces pombe (DSMZ 70576) applied in pure and mixed cultures on the chemical composition and sensory profile of apple wines. Pasteurized Gloster apple musts with addition of sucrose (up to 22°Blg) were inoculated with specific volume (0.6 g dry weight per liter) of yeast pure or mixed cultures (in a ratio of 1:1, 1:1:1, or 1:1:1:1) and fermented for 28 d at 22 °C. The influence of pure/mixed culture on the chemical composition, volatile profile, and sensory properties of apple wines was determined using high‐performance liquid chromatography (HPLC) and gas chromatography (GC) methods.All pure culture of yeasts used for the apple wines production are characterized by good enological profiles. S. bayanus and Sch. pombe are the most distinct to S. cerevisiae. S. bayanus strain increases the level of malic acid and carbonyl compounds in apple wines, whereas Sch. pombe highly deacidifies it and produces the most of glycerol, esters, and acetic acid. The wines obtained with these 2 species gained also, respectively, the best and the worse notes during sensory analysis.Mixed cultures (in most cases) produce greater amounts of ethanol, methanol, and volatile esters compared to pure cultures. The presence of S. bayanus in the mixed culture is beneficial for the quality of apple wines.Practical ApplicationGood understanding of the properties of yeasts and the procedures for their selection will make it easier to find strains that could improve the quality of wine. Since wine is formed by the action of a number of species and strains of yeasts, many authors have studied the effect of mixed cultures on the final quality of the product. Most of this research was focused on the effect of the inoculation of Saccharomyces yeast with other species on the aroma of wine. However, there is a little data on the fermentation using simultaneous inoculation of different strains of S. cerevisiae.
Motivation to reduce alcohol consumption and subsequent attempts at reduction and changes in consumption in increasing and higher‐risk drinkers in England: a prospective population survey
Authors: de Vocht Frank , Brown Jamie , Beard Emma , West Robert , Michie Susan , Campbell Rona , Hickman Matthew 
Published: January 2018

AbstractAimsTo assess how far motivation to reduce alcohol consumption in increasing and higher‐risk drinkers in England predicts self‐reported attempts to reduce alcohol consumption and changes in alcohol intake during the following 6 months.MethodsThis study used self‐reported data from 2928 higher‐risk drinkers in the Alcohol Toolkit Study (ATS): a series of monthly cross‐sectional household surveys of adults aged 16+ years of age in England. Alcohol consumption was measured in an initial survey and in a 6‐month telephone follow‐up interview using the Alcohol Use Disorders Identification Test (AUDIT)‐C questionnaire. Motivation was measured in the initial survey using the Motivation to Reduce Alcohol Consumption (MRAC) scale. Attempts to reduce alcohol consumption during the past 6 months were recorded at follow‐up. Data were analysed using repeated‐measures difference‐in‐differences and logistic regression models.ResultsParticipants with higher initial motivation to reduce alcohol consumption were more likely to report that they had made an attempt to reduce consumption at follow‐up [adjusted odds ratio (ORadj) = 2.39, 95% confidence interval (CI) = 1.75–3.29]. There was an overall reduction in alcohol consumption between initial survey and follow‐up (ORadj = 0.72, 95% CI = 0.65–0.79), but there was insufficient evidence of an additional effect of motivation to reduce consumption on subsequent changes in alcohol consumption, with the difference‐in‐differences effect instead suggesting an average increase (ORadj = 1.37, 95% CI = 1.00–1.88).ConclusionsIncreasing and higher‐risk drinkers in England who report greater motivation to reduce their consumption are more likely to report making an attempt to reduce during the next 6 months, but this may not be associated with a reduction in alcohol consumption.