bluuebunny/crossref_metadata_2025_split huggingface dataset:
WATCLUST: a tool for improving the design of drugs based on protein-water interactions
Authors: López Elias D. , Arcon Juan Pablo , Gauto Diego F. , Petruk Ariel A. , Modenutti Carlos P. , Dumas Victoria G. , Marti Marcelo A. , Turjanski Adrian G. 
Published: July 2015

Abstract
Motivation: Water molecules are key players for protein folding and function. On the protein surface, water is not placed randomly, but display instead a particular structure evidenced by the presence of specific water sites (WS). These WS can be derived and characterized using explicit water Molecular Dynamics simulations, providing useful information for ligand binding prediction and design. Here we present WATCLUST, a WS determination and analysis tool running on the VMD platform. The tool also allows direct transfer of the WS information to Autodock program to perform biased docking.
Availability and implementation: The WATCLUST plugin and documentation are freely available at http://sbg.qb.fcen.uba.ar/watclust/.
Contact: marcelo@qi.fcen.uba.ar, adrian@qi.fcen.uba.ar
OrderRex: clinical order decision support and outcome predictions by data-mining electronic medical records
Authors: Chen Jonathan H , Podchiyska Tanya , Altman Russ B 
Published: July 2015

AbstractObjective: To answer a “grand challenge” in clinical decision support, the authors produced a recommender system that automatically data-mines inpatient decision support from electronic medical records (EMR), analogous to Netflix or Amazon.com’s product recommender.Materials and Methods: EMR data were extracted from 1 year of hospitalizations (&gt;18K patients with &gt;5.4M structured items including clinical orders, lab results, and diagnosis codes). Association statistics were counted for the ∼1.5K most common items to drive an order recommender. The authors assessed the recommender’s ability to predict hospital admission orders and outcomes based on initial encounter data from separate validation patients.Results: Compared to a reference benchmark of using the overall most common orders, the recommender using temporal relationships improves precision at 10 recommendations from 33% to 38% ( P  &lt; 10 −10 ) for hospital admission orders. Relative risk-based association methods improve inverse frequency weighted recall from 4% to 16% ( P  &lt; 10 −16 ). The framework yields a prediction receiver operating characteristic area under curve (c-statistic) of 0.84 for 30 day mortality, 0.84 for 1 week need for ICU life support, 0.80 for 1 week hospital discharge, and 0.68 for 30-day readmission.Discussion: Recommender results quantitatively improve on reference benchmarks and qualitatively appear clinically reasonable. The method assumes that aggregate decision making converges appropriately, but ongoing evaluation is necessary to discern common behaviors from “correct” ones.Conclusions: Collaborative filtering recommender algorithms generate clinical decision support that is predictive of real practice patterns and clinical outcomes. Incorporating temporal relationships improves accuracy. Different evaluation metrics satisfy different goals (predicting likely events vs. “interesting” suggestions).
Psychometric Properties of the Breast Cancer Screening Beliefs Questionnaire Among Women of Indian Ethnicity Living in Australia
Authors: Kwok Cannas , Pillay Rona , Lee Chun Fan 
Published: July 2015

Background:
Indian women have been consistently reported as having low participation in breast cancer screening practices. A valid and reliable instrument to explore their breast cancer beliefs is essential for development of interventions to promote breast cancer screening practices.

Objective:
The aim of this study was to report the psychometric properties of the Breast Cancer Screening Beliefs Questionnaire (BCSBQ) in an Indian community in Australia.

Methods:
A convenience sample of 242 Indian Australian women was recruited from Indian community organizations and personal networking. Explanatory factor analysis was conducted to study the factor structure. Clinical validity was examined by Cuzick’s nonparametric test, and Cronbach’s α was used to assess internal consistency reliability.

Results:
Exploratory factor analysis showed a similar fit to the hypothesized 3-factor structure. The frequency of breast cancer screening practices was significantly associated with attitudes toward general health check-up. Knowledge and perceptions about the breast cancer scale were not significantly associated with clinical breast examinations and mammography. Perceived barriers to mammography were much less evident among women who engaged in breast awareness and clinical breast examination. Results indicated that the BCSBQ had satisfactory validity and internal consistency. Cronbach’s α of the 3 subscales ranged from .81 to .91.

Conclusions:
The BCSBQ is a culturally appropriate, valid, and reliable instrument for assessing the beliefs, knowledge, and attitudes about breast cancer and breast cancer screening practices among women of Indian ethnic extraction living in Australia.

Implication for Practice:
The BCSBQ can be used to provide nurses with information relevant for the development of culturally sensitive breast health education programs.
First-step Mutations during Adaptation to Thermal Stress Shift the Expression of Thousands of Genes Back toward the Pre-stressed State
Authors: Rodríguez-Verdugo Alejandra , Tenaillon Olivier , Gaut Brandon S. 
Published: July 2015

AbstractThe temporal change of phenotypes during the adaptive process remain largely unexplored, as do the genetic changes that affect these phenotypic changes. Here we focused on three mutations that rose to high frequency in the early stages of adaptation within 12Escherichia colipopulations subjected to thermal stress (42°C). All of the mutations were in therpoBgene, which encodes the RNA polymerase beta subunit. For each mutation, we measured the growth curves and gene expression (mRNAseq) of clones at 42°C. We also compared growth and gene expression to their ancestor under unstressed (37°C) and stressed conditions (42°C). Each of the three mutations changed the expression of hundreds of genes and conferred large fitness advantages, apparently through the restoration of global gene expression from the stressed towards the pre-stressed state. Finally, we compared the phenotypic characteristics of one mutant,I572L, to two high-temperature adapted clones that have this mutation plus additional background mutations. The background mutations increased fitness, but they did not substantially change gene expression. We conclude that early mutations in a global transcriptional regulator cause extensive changes in gene expression, many of which are likely under positive selection for their effect in restoring the pre-stress physiology.
Human-specific genomic features of pluripotency regulatory networks link NANOG with fetal and adult brain development
Authors: Glinsky Gennadi V. 
Published: July 2015

AbstractGenome-wide proximity placement analysis of diverse families of human-specific genomic regulatory loci (HSGRL) identified topologically-associating domains (TADs) that are significantly enriched for HSGRL and termed rapidly-evolving in humans TADs (revTADs; Genome Biol Evol. 2016 8; 2774-88). Here, human-specific genomic features of pluripotency regulatory networks in hESC have been analyzed. The primary focus was on identification of human-specific elements of the interphase chromatin architecture of TADs responsible for transcriptional regulatory control of the NANOG, POU5F1, and POU3F2 genes. Comparative analyses of the four adjacent TADs spanning ~3.3 Mb NANOG locus-associated genomic region were carried-out to highlight primate-specific genomic features. Lastly, the putative mechanisms of the genome-wide regulatory effects of human-specific NANOG-binding sites (HSNBS) on expression of genes implicated in the fetal and adult brain development have been examined. Acquisition of primate-specific regulatory loci appears to rewire TADs exerting transcriptional control on pluripotency regulators, revealing a genomic placement pattern consistent with the enhanced regulatory impact of NANOG in primates. Proximity placement analysis of HSNBS identified a large expression signature in the human fetal neocortex temporal lobe comprising 4,957 genes, which appear to retain acquired in the embryo expression changes for many years of human brain development and maintain highly concordant expression profiles in the neocortex and prefrontal cortex regions of adult human brain. Collectively, reported herein observations indicate that genomic elements of pluripotency regulatory circuitry associated with HSNBS, specifically proteins of the classical NurD chromatin remodeling complex, contribute to transcriptional regulation of a large set of genes implicated in development and function of human brain.List of abbreviations5hmC, 5-HydromethylcytosineCTCF, CCCTC-binding factorDHS, DNase hypersensitivity sitesFHSRR, fixed human-specific regulatory regionsGRNs, genomic regulatory networksHAR, human accelerated regionshCONDEL, human-specific conserved deletionshESC, human embryonic stem cellsHSGRL, human-specific genomic regulatory lociHSNBS, human-specific NANOG-binding sitesHSTFBS, human-specific transcription factor-binding sitesLAD, lamina-associated domainLINE, long interspersed nuclear elementlncRNA, long non-coding RNALTR, long terminal repeatMADE, methylation-associated DNA editingmC, methylcytosinemESC, mouse embryonic stem cellsNANOG, Nanog homeoboxnt, nucleotidePOU5F1, POU class 5 homeobox 1PSDS, partial strand displacement stateTAD, topologically associating domainsTE, transposable elementsTF, transcription factorTSC, triple-stranded complexTSS, transcription start sitesSE, super-enhancersSED, super-enhancer domainssncRNA, small non coding RNA
The compliance of robotic hands – from functionality to mechanism
Authors: Li Rui , Wu Wei , Qiao Hong 
Published: July 2015

Purpose
– The purpose of this paper is to introduce the physical structure and the control mechanism of human motor nervous system to the robotic system in a tentative manner to improve the compliance/flexibility/versatility of the robot.

Design/methodology/approach
– A brief review is focused on the concept of compliance, the compliance-based methods and the application of some compliance-based devices. Combined with the research on the physical structure and the control mechanism of human motor nervous system, a new drive structure and control method is proposed.

Findings
– Introducing the physical structure and the control mechanism of human motor nervous system can improve the compliance/flexibility/versatility of the robot, without bringing in more complexity or inefficiency to the system, which helps in the assembly automation tasks.

Originality/value
– The proposed drive structure and control method are useful to build up a novel, low-cost robotic assembly automation system, which is easy to interact and cooperate with humans.
Uncertainty evaluation and optimization of INS installation measurement using Monte Carlo Method
Authors: Wang Qing , Huang Peng , Li Jiangxiong , Ke Yinglin 
Published: July 2015

Purpose
– The purpose of this paper is to increase the measurement accuracy of assembly deviations of an inertial navigation system, a new evaluation and optimal method of assembly metrology system is proposed, which takes into account the uncertainty from laser tracker hardware and coordinate system transformation, and is based on the Monte Carlo method.

Design/methodology/approach
– The uncertainty model of the laser tracker is established and its parameters are obtained from the known repeated test data by kriging interpolation and the least squares method. The errors of coordinate transformation are reduced by using a weighted point matching method, and the uncertainty of the transformation parameters is obtained based on the generalized inverse theory. The weighting coefficients of each reference point are optimized by the particle swarm optimization method according to the assembly requirements.

Findings
– The experiment results show that measurement error and predicted results match well, and the assembly deviation uncertainty of large component is reduced by about 10 per cent compared with the singular value decomposition method.

Originality/value
– This paper proposes a method to evaluate and eliminate the influence of random errors of the laser tracker during evaluation process of coordinate translation parameters and assembly deviations. The proposed method would be useful to improve the assembly measurement accuracy through less measurement times.
Unintended consequences of a digital presence
Authors: Harrison Jennifer A. , Budworth Marie-Hélène 
Published: July 2015

Purpose– The purpose of this paper is to investigate how job seekers’ digital profile influences employment-related outcomes, namely recommendations on hiring and salary.Design/methodology/approach– A sample of 118 job seekers sharing information online about job searching was identified using a social networking platform. Using an impression management (IM) framework, two research assistants coded for use of verbal IM (e.g. utterances) and the use of nonverbal IM (e.g. professional images). Three HR managers evaluated the profiles and provided hiring-related recommendations. Data were analyzed used OLS moderated regression and simple slope analysis.Findings– Consistent with IM theory, use of verbal and nonverbal IM were both positively related to employment-related recommendations. Gender was found to moderate the use of IM utterances and employment-related recommendations in an unexpected direction for women.Originality/value– Findings suggest that an IM framework can be applied to studying digital social spaces of job seekers. The study provides evidence in support of the notion that previously established effects of IM efforts extend from an interview setting to a digital context.
Facilitators and barriers to the assimilation of function-specific executives into senior management roles
Authors: Bennett Roger 
Published: July 2015

Purpose– The purpose of this paper is to examine the factors that might contribute to the ease with which marketing executives in UK charities who have been promoted to senior general management positions adjust to the occupancy of these roles.Design/methodology/approach– In total, 37 individuals with functional marketing backgrounds currently holding top general management positions in large fundraising charities were interviewed using a frame-worked occupational autobiographic narrative approach. The research was informed by aspects of newcomer adjustment theory, notably uncertainty reduction theory.Findings– Social and personal considerations were much more important determinants of the ease of assimilation into top management positions in charities than were technical job-related matters. Role ambiguity constituted the main barrier to smooth adjustment. Mentoring, planned induction programmes, the nature of a person’s past work experience and the individual’s social status critically affected how readily a marketer fitted into a top management role. Disparate sets of factors influenced different elements of managerial newcomer adjustment (role clarity, self-efficacy, and social acceptance).Research limitations/implications– As the participants in the study needed to satisfy certain narrowly defined criteria and to work in a single sector (large fundraising charities) the sample was necessarily small. It was not possible to explore the effects on operational performance of varying degrees of ease of newcomer adjustment.Practical implications– Individuals promoted to top management posts in charities should try psychologically to break with the past and should not be afraid of projecting a strong functional professional identity to their new peers. These recommendations can be expected to apply to organisations in general which, like large charities, need senior management mentoring and induction programmes to assist recently promoted individuals from function-specific backgrounds; job descriptions for top management posts that are clear and embody realistic expectations; and “shadowing” and training activities for newly appointed senior managers with function-specific backgrounds.Originality/value– The study is the first to apply newcomer adjustment theory to the assimilation of functional managers into more senior general management. It examines a broader range of potential variables affecting managerial newcomer adjustment than has previously been considered. Relevant issues are examined in the context of an important sector: fundraising charities.
Psychosocial factors in retirement intentions and adjustment: a multi-sample study
Authors: Topa Gabriela , Alcover Carlos-María 
Published: July 2015

Purpose– Retirement adjustment is the process by which aged workers become accustomed to the changed facts of life in the transition from work to retirement and develop psychological well-being in their post-working life. The purpose of this paper is to explore the psychosocial factors that significantly explain retirement intentions and retirement adjustment, using two separate empirical studies.Design/methodology/approach– Retirement self-efficacy, low work involvement, older worker identity and relative deprivation significantly explained retirement intentions (bridge employment engagement, part-time retirement, late retirement and full retirement) of workers over 60 years (Study 1,n=157). Retirement adjustment indices (retirement satisfaction, feelings of anxiety and depression) were associated with psychosocial factors for retirees (Study 2,n=218).Findings– The findings highlight that retirement self-efficacy and older worker identity positively and significantly explained both full retirement of aged workers and retirement satisfaction of retirees. Relative deprivation negatively significantly explained partial and late retirement intentions and retirement satisfaction of retirees.Research limitations/implications– The implications of these studies are discussed for understanding retirement planning and counselling practice.Practical implications– Retirement adjustment conceptualized as a process has important implications for retirement planning, and consequently can influence the project of the life course, as well as career’s decisions.Social implications– Social contexts should consider all factors that can negatively affect self-efficacy, work involvement and identity of employees in the mid and late-career stages, and thus contribute to reinforce and strengthen personal and psychosocial resources involved in planning and adaptation to retirement, and to increase the insight into the planning and decisions older workers make to face retirement.Originality/value– This work had two goals, pursued by two empirical studies with two samples: workers over 60 years, and retirees. The authors contend that the availability of two different sets of data increases the generalizability of the findings.
Informal learning of temporary agency workers in low-skill jobs
Authors: Preenen Paul , Verbiest Sarike , Van Vianen Annelies , Van Wijk Ellen 
Published: July 2015

Purpose– The purpose of this paper is to develop and investigate the idea that self-profiling and career control by temporary agency workers (TAWs) in low-skill jobs are positively related to informal learning and that this relationship is mediated by job challenge.Design/methodology/approach– An online survey study was conducted among 722 TAWs in low-skill jobs in the Netherlands. Bootstrap mediation analyses were used to test the hypotheses.Findings– Self-profiling and career control are positively related to informal learning of TAWs and these relationships are mediated by job challenge.Research limitations/implications– This is the first study to develop and empirically test the proposition that self-profiling and career control are important factors for enhancing employees’ learning experiences in low-skill jobs.Practical implications– Hiring companies and temporary work agencies could stimulate and train TAWs’ self-profiling and career control competencies to enhance their job challenge and informal learning. Organizations should consider assigning challenging tasks to TAWs, which may be a good alternative for expensive formal training programs.Social implications– Many TAWs in low-skill jobs do not possess the skills and capacities to obtain a better or more secure job. In general, temporary workers face a higher risk of unemployment and greater income volatility (Segal and Sullivan, 1997). Gaining knowledge about how to develop this group is important for society as a whole.Originality/value– Research on the determinants of informal learning mainly concerned higher-educated employees and managers with long-term contracts (e.g. Donget al., 2014), whereas very little is known about factors that stimulate informal learning among TAWs in general, and among TAWs in low-skill jobs in particular.
Interest rate in Oman: is it fair?
Authors: Al-Muharrami Saeed 
Published: July 2015

Purpose
– The purpose of this study is to try to answer whether the banking system in Oman is fair for both depositors and entrepreneurs.

Design/methodology/approach
– The interest margin decomposition is based on the methodology proposed in Randall (1998). The income statement of banks defines profits before taxes (P) as interest income (II), plus non-interest income (NII), minus interest expense (IP), minus operating costs (OC) and minus provision for loan losses (Prov). After rearranging this identity, the net interest revenue can be expressed as follows: II – IP = OC + Prov + P – NII. The above expression decomposes the margin into the following cost and profit components: reserve requirement costs, operational costs, loan loss provision costs, profitability and non-interest income (with a negative sign).

Findings
– A trend analysis of commercial banks’ interest rate spreads in Oman exposes the following facts: First, the implicit interest margin is relatively small (in the neighborhood of 1 percentage point); second, profits constitute a substantial proportion of the margin; third, the share of operating costs in the margin has been broadly constant over time; fourth, reserve requirement costs have been reduced following the decline of the reserve requirement ratio; and fifth, the weighted average interest rate on deposits base is lower than the rate of inflation.

Originality/value
– This work is original.
Conventional bank and Islamic banking as institutions: similarities and differences
Authors: Wan Ibrahim Wan Hakimah , Ismail Abdul Ghafar 
Published: July 2015

Purpose– The aim of this paper is to discuss the similarities and differences of both conventional and Islamic financial institutions from various institutional perspectives.Design/methodology/approach– This conceptual paper describes the insights held by the financial institution theory which is discussed from the perspectives of the economics of the financial institution, legal environment, the political aspect of an institution, the philosophical underpinning, the components of institution and also the ethical role of institution. Then, this paper will proceed to justify the similarities and differences that have been observed between both institutions.Findings– Discussions in this paper will reveal that specifically specific similarity is prevalent on the nature of the supervisory role. The differences between both institutions from the aspects of business organization, economic roles and law of origin have also been found.Research limitations/implications– The similarities and differences that are established on both institutions will affect the structure of the financial contract and the design of financial systems.Originality/value– The paper will contribute a new knowledge specifically on the design of the Islamic financial contract based on Shariah law at the initial phase.