bluuebunny/crossref_metadata_2025_split huggingface dataset:
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies
Authors: Bauer Christoph A. , Schneider Gisbert , Göller Andreas H. 
Published: September 2019

Abstract
We present machine learning (ML) models for hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD) strengths. Quantum chemical (QC) free energies in solution for 1:1 hydrogen-bonded complex formation to the reference molecules 4-fluorophenol and acetone serve as our target values. Our acceptor and donor databases are the largest on record with 4426 and 1036 data points, respectively. After scanning over radial atomic descriptors and ML methods, our final trained HBA and HBD ML models achieve RMSEs of 3.8 kJ mol−1 (acceptors), and 2.3 kJ mol−1 (donors) on experimental test sets, respectively. This performance is comparable with previous models that are trained on experimental hydrogen bonding free energies, indicating that molecular QC data can serve as substitute for experiment. The potential ramifications thereof could lead to a full replacement of wetlab chemistry for HBA/HBD strength determination by QC. As a possible chemical application of our ML models, we highlight our predicted HBA and HBD strengths as possible descriptors in two case studies on trends in intramolecular hydrogen bonding.
Algicidal bacterium CZBC1 inhibits the growth of Oscillatoria chlorina, Oscillatoria tenuis, and Oscillatoria planctonica
Authors: Hu Xiao-Juan , Xu Yu , Su Hao-Chang , Xu Wu-Jie , Wang Li-Hua , Xu Yun-Na , Li Zhuo-Jia , Cao Yu-Cheng , Wen Guo-Liang 
Published: September 2019

Abstract
Frequent harmful cyanobacteria blooms limit the sustainable development of aquaculture. Algicidal bacteria can efficiently control harmful algae without secondary pollution. The algicidal bacteria CZBC1 can lyse Oscillatoria spp. and other harmful cyanobacteria, but its effector mechanism and algicidal threshold are unknown. In this study, we examined the algicidal effect of CZBC1 on O. chlorina, O. tenuis, and O. planctonica by microscopic enumeration and scanning electron microscopy observation. Then, we examined the alginolytic effects of CZBC1 (concentrations 103–106 colony forming units (cfu)/mL) on these three species (concentrations 103–106 cells/mL) to determine the effective concentrations of CZBC1 for Oscillatoria spp. alginolysis. Results showed that CZBC1 can directly lyse O. chlorina and O. tenuis but indirectly lyse O. planctonica. When the initial concentration of CZBC1 was 106 cfu/mL, alginolytic effects were high for all three species at all concentrations, and the alginolytic rate could reach 100% in 3–9 days. When the initial concentration of CZBC1 was lower (103 cfu/mL), its inhibitory effects were delayed by 2–5 days, but the cell counts were significantly decreased compared with the control, evidencing significant alginolysis. In addition, the higher the concentration of the algicidal bacteria suspension, the more significant the alginolytic effects. Our results indicate that CZBC1 has different alginolytic mechanisms for O. chlorina, O. tenuis, and O. planctonica, and that different initial concentrations of CZBC1 have different alginolytic effects on these algal species.
Non-parallel dictionary learning for voice conversion using non-negative Tucker decomposition
Authors: Takashima Yuki , Nakashika Toru , Takiguchi Tetsuya , Ariki Yasuo 
Published: September 2019

AbstractVoice conversion (VC) is a technique of exclusively converting speaker-specific information in the source speech while preserving the associated phonemic information. Non-negative matrix factorization (NMF)-based VC has been widely researched because of the natural-sounding voice it achieves when compared with conventional Gaussian mixture model-based VC. In conventional NMF-VC, models are trained using parallel data which results in the speech data requiring elaborate pre-processing to generate parallel data. NMF-VC also tends to be an extensive model as this method has several parallel exemplars for the dictionary matrix, leading to a high computational cost. In this study, an innovative parallel dictionary-learning method using non-negative Tucker decomposition (NTD) is proposed. The proposed method uses tensor decomposition and decomposes an input observation into a set of mode matrices and one core tensor. The proposed NTD-based dictionary-learning method estimates the dictionary matrix for NMF-VC without using parallel data. The experimental results show that the proposed method outperforms other methods in both parallel and non-parallel settings.
SWIPT in mMIMO system with non-linear energy-harvesting terminals: protocol design and performance optimization
Authors: Xu Kui , Zhang Ming , Liu Jie , Sha Nan , Xie Wei , Chen Lihua 
Published: September 2019

Abstract
In this paper, we design the simultaneous wireless information and power transfer (SWIPT) protocol for massive multi-input multi-output (mMIMO) system with non-linear energy-harvesting (EH) terminals. In this system, the base station (BS) serves a set of uplink fixed half-duplex (HD) terminals with non-linear energy harvester. Considering the non-linearity of practical energy-harvesting circuits, we adopt the realistic non-linear EH model rather than the idealistic linear EH model. The proposed SWIPT protocol can be divided into two phases. The first phase is designed for terminals EH and downlink training. A beam domain energy beamforming method is employed for the wireless power transmission. In the second phase, the BS forms the two-layer receive beamformers for the reception of signals transmitted by terminals. In order to improve the spectral efficiency (SE) of the system, the BS transmit power- and time-switching ratios are optimized. Simulation results show the superiority of the proposed beam-domain SWIPT protocol on SE performance compared with the conventional mMIMO SWIPT protocols.
The epidemiology of intransient TB-induced hyperglycaemia in previously undiagnosed diabetes mellitus 2 individuals: a protocol for a systematic review and meta-analysis
Authors: Menon Sonia , Francis Joel , Zdraveska Natasha , Dusabimana Alfred , Bhattacharyya Samit 
Published: September 2019

Abstract

Background
Diabetes mellitus (DM) is burgeoning as a global chronic health condition. Some studies suggest that tuberculosis (TB) can even cause diabetes in those not previously known to be diabetic, which as a corollary can add to the already heavy global DM burden. The World Health Organization (WHO) recommends screening for DM at the start of TB treatment; however, it remains to be elucidated which patients with TB-induced hyperglycaemia are at risk for developing DM and who would benefit from a more regular follow-up. This systematic review will aim to firstly synthesise literature on the irreversibility of TB-induced hyperglycaemia in individuals with previously undiagnosed type 2 diabetes mellitus and secondly to synthesise literature on risk factors for progression from TB-induced hyperglycaemia to overt DM in previously undiagnosed.

Methods
We will search for relevant studies in electronic databases such as PubMed, EMBASE, PROQUEST, and SCOPUS. Furthermore, references will be hand searched to identify other studies. A flow diagram will be drawn to identify the studies retrieved from each database. We will review all publications that include studies containing data on impaired glucose metabolism upon TB diagnosis, and the quality of all eligible studies will be assessed using the Newcastle-Ottawa Scale. We will further conduct a meta-analysis to pool estimates on the risk of progression of persistent hyperglycaemia to overt DM within this population group, as well as the risk factors for this progression. We will use a random effect model to assess heterogeneity, will carry out sensitivity analysis to explore the influence of a single study on the overall estimate, and will report our findings from our systematic review and meta-analysis according to PRISMA guidelines. Egger’s test will be performed to explore the presence of selective reporting bias. If data allow, we will perform a subgroup/meta-regression analysis. Summary effects will be reported using odds ratio, hazard ratio, and relative risk ratios. Furthermore, any clinical, epidemiological, and public health research gaps we identify will be described in a research proposal.
Some fractional proportional integral inequalities
Authors: Rahman Gauhar , Abdeljawad Thabet , Khan Aftab , Nisar Kottakkaran Sooppy 
Published: September 2019

AbstractIn the last few years, various researchers studied the so-called conformable integrals and derivatives. Based on that notion some authors used modified conformable derivatives (proportional derivatives) to generate nonlocal fractional integrals and derivatives, called fractional proportional integrals and derivatives, which contain exponential functions in their kernels. Our aim in this paper is to establish some new integral inequalities by utilizing the fractional proportional-integral operators. In fact, certain new classes of integral inequalities for a class ofn($n\in \mathbb{N}$n∈N) positive continuous and decreasing functions on$[a,b]$[a,b]are presented. The inequalities presented in this paper are more general than the existing classical inequalities.
Attributes of children and adolescents with avoidant/restrictive food intake disorder
Authors: Keery Helene , LeMay-Russell Sarah , Barnes Timothy L. , Eckhardt Sarah , Peterson Carol B. , Lesser Julie , Gorrell Sasha , Le Grange Daniel 
Published: September 2019

AbstractBackgroundAvoidant/Restrictive Food Intake Disorder (ARFID) is a comparatively new DSM-5 diagnosis. In an effort to better understand this heterogeneous patient group, this study aimed to describe the physical and psychological attributes of children and adolescents with ARFID, and to compare them to patients with full-threshold or atypical anorexia nervosa (AN).MethodsChildren and adolescents aged 7-to-19 years (N = 193) were examined upon presenting at a pediatric eating disorder center between July 2015 and December 2017. Data included diagnosis assessed via the semi-structured Eating Disorder Examination interview along with measures of anthropometrics, depression, anxiety, self-esteem, perfectionism and clinical impairment.ResultsCompared to AN and atypical AN (n = 87), patients with ARFID (n = 106) were significantly younger (12.4 vs. 15.1 years,p < .0001), male (41% vs. 15%,p < .0002), and were more likely to be diagnosed with at least one co-morbid DSM-5 diagnosis (75% vs. 61%,p = .04). Patients with ARFID were less likely to be bradycardic (4.7% vs. 24.1%,p < .0001), amenorrheic (11.1 and 34.7%,p = .001), admitted to the hospital (14.2% vs. 27.6%,p = .02), and have a diagnosis of depression (18.9% vs. 48.3%,p < .0001). Patients with ARFID were significantly less likely to experience acute weight loss vs. chronic weight loss as compared with those with AN or atypical AN (p = .0001). On self-report measures, patients with ARFID reported significantly fewer symptoms of depression, anxiety, perfectionism, clinical impairment, concerns about weight and shape, and higher self-esteem than patients with AN or atypical AN (allps < .0001). No differences were observed by race, anxiety disorder, orthostatic instability, suicidal ideation, and history of eating disorder treatment.ConclusionsStudy results highlight the clinical significance of ARFID as a distinct DSM-5 diagnosis and the physical and psychological differences between ARFID and AN/atypical AN. The novel finding that ARFID patients are more likely than those diagnosed with AN to experience chronic, rather than acute, weight loss suggests important related treatment considerations.
The effects of martial arts participation on mental and psychosocial health outcomes: a randomised controlled trial of a secondary school-based mental health promotion program
Authors: Moore Brian , Dudley Dean , Woodcock Stuart 
Published: September 2019

Abstract

Background
Mental health problems are a significant social issue that have multiple consequences, including broad social and economic impacts. However, many individuals do not seek assistance for mental health problems. Limited research suggests martial arts training may be an efficacious sports-based mental health intervention that potentially provides an inexpensive alternative to psychological therapy. Unfortunately, the small number of relevant studies and other methodological problems lead to uncertainty regarding the validity and reliability of existing research. This study aims to examine the efficacy of a martial arts based therapeutic intervention to improve mental health outcomes.

Methods/design
The study is a 10-week secondary school-based intervention and will be evaluated using a randomised controlled trial. Data will be collected at baseline, post-intervention, and 12-week follow-up. Power calculations indicate a maximum sample size of n = 293 is required. The target age range of participants is 11–14 years, who will be recruited from government and catholic secondary schools in New South Wales, Australia. The intervention will be delivered in a face-to-face group format onsite at participating schools and consists of 10 × 50–60 min sessions, once per week for 10 weeks. Quantitative outcomes will be measured using standardised psychometric instruments.

Discussion
The current study utilises a robust design and rigorous evaluation process to explore the intervention’s potential efficacy. As previous research examining the training effects of martial arts participation on mental health outcomes has not exhibited comparable scale or rigour, the findings of the study will provide valuable evidence regarding the efficacy of martial arts training to improve mental health outcomes.

Trial registration
Australian New Zealand Clinical Trials Register ACTRN12618001405202. Registered 21st August 2018.
German version of the Death Attitudes Profile- Revised (DAP-GR) – translation and validation of a multidimensional measurement of attitudes towards death
Authors: Jansen Jonas , Schulz-Quach Christian , Eisenbeck Nikolett , Carreno David F. , Schmitz Andrea , Fountain Rita , Franz Matthias , Schäfer Ralf , Wong Paul T. P. , Fetz Katharina 
Published: September 2019

Abstract

Background
In Germany, only limited data are available on attitudes towards death. Existing measurements are complex and time consuming, and data on psychometric properties are limited. The Death Attitude Profile- Revised (DAP-R) captures attitudes towards dying and death. The measure consists of 32 items, which are assigned to 5 dimensions (Fear of Death, Death Avoidance, Neutral Acceptance, Approach Acceptance, Escape Acceptance). It has been translated and tested in several countries, but no German version exists to date. This study reports the translation of the Death Attitudes Profile-Revised (DAP-R) into German (DAP-GR) using a cross-cultural adaption process methodology and its psychometric assessment.

Methods
The DAP-R was translated following guidelines for cultural adaption. A total of 216 medical students of the Heinrich Heine University Duesseldorf participated in this study. Interrater reliability was investigated by means of Kendall’s W concordance coefficient. The internal consistency of the DAP-GR Scales was assessed with Cronbach’s alpha coefficients. Split-half reliability was estimated using Spearman-Brown coefficients. Convergent validity was measured by Spearman’s correlation coefficient. Content validity was assessed by means of confirmatory factor analysis (CFA). All statistical analyses were performed using SPSS 24 and AMOS 22.

Results
The items showed fair to good interrater reliability, with W-values ranging from .30 to .79. Internal consistency of the five subscales ranged from .61 (Neutral Acceptance) to .94 (Approach Acceptance). Split-half reliability was good, with a Spearman-Brown-coefficient of .83. The results of CFA slightly diverged from the original scale.

Conclusion
Our results suggest overall good reliability of the German version of the DAP-R. The DAP-GR promises to be a robust instrument to establish normative data on death attitudes for use in German-speaking countries.
Gilteritinib: a novel FLT3 inhibitor for acute myeloid leukemia
Authors: Zhao Juanjuan , Song Yongping , Liu Delong 
Published: September 2019

AbstractFMS-like tyrosine kinase 3- internal tandem duplication (FLT3-ITD) remains as one of the most frequently mutated genes in acute myeloid leukemia (AML), especially in those with normal cytogenetics. The FLT3-ITD and FLT3-TKD (tyrosine kinase domain) mutations are biomarkers for high risk AML and are associated with drug resistance and high risk of relapse. Multiple FLT3 inhibitors are in clinical development, including lestaurtinib, tandutinib, quizartinib, midostaurin, gilteritinib, and crenolanib. Midostaurin and gilteritinib have been approved by FDA for Flt3 mutated AML. Gilteritinib (ASP2215, Xospata) is a small molecule dual inhibitor of FLT3/AXL. The ADMIRAL study showed that longer overall survival and higher response rate are associated with gilteritinib in comparison with salvage chemotherapy for relapse /refractory (R/R) AML. These data from the ADMIRAL study may lead to the therapy paradigm shift and establish gilteritinib as the new standard therapy for R/R FLT3-mutated AML. Currently, multiple clinical trials are ongoing to evaluate the combination of gilteritinib with other agents and regimens. This study summarized clinical trials of gilteritinib for AML.
Refugee immigration and the growth of low-wage work in the EU15
Authors: Andersson Lars Fredrik , Eriksson Rikard , Scocco Sandro 
Published: September 2019

Abstract
Our paper focuses on current trends in refugee migration and job polarization. In so doing, we assess the role of refugee migration in relation to institutional, technologicalty 1 and globalization factors in an effort to trace the factors underlying the growth of low-paying occupations in EU 15 between 1995 and 2017. Our empirical findings suggest that refugee migration has a small but positive and statistically significant impact on the growth of low-wage occupations in the EU 15 as a whole. However, the effect is attributed to Southern Europe and the UK and Irish economies. Despite hosting relatively large numbers of refugee migrants, the effects in the Nordic countries and Continental Europe are negligible, if present, and non-existent in the long run (5 years). When including all migrant workers, we find a limited impact on the growth of low-wage work in general, while the impact of immigrant workers from low-income third party countries becomes positive for the UK and Irish economy, but less for other European macro-regions. This suggests that institutional settings can play an important role in how the economy adjusts to migration. It also suggests that traditional fiscal cost calculations in relation to migration are often overestimated, as they implicitly build on the assumption that refugees and general immigration have great impacts on the growth of low-wage occupations.
Comments on: involving service users in the qualitative analysis of patient narratives to support healthcare quality improvement
Authors: Williams Marney , Etkind Mike , Husson Fran , Ogunleye Della , Norton John 
Published: September 2019

Plain English summary
Some previous researchers (Locock et al) have written about what may be the best way for public contributors to be involved in data analysis in research projects. Their experience has been that giving public contributors large amounts of text to read is not the best use of their time and experience. They have recommended that a better approach would be for a researcher to meet with a group of users at the start of analysis, to discuss what to look out for. However, as another patient group that has been involved in analysis, we think differently. The approach we used was to be more fully involved in the project over a longer time period. Analysis tasks were broken down into stages to make it easier for those taking part. We found that this allowed us to take part fully without placing too much burden on us. We found that our approach was workable and successful and see no reason why it could not be applied in other circumstances.

Abstract
In this journal, Locock et al. have suggested that service users should not be overburdened with large amounts of data, and that eliciting users’ reflections on their experience at the start of analysis and using this as a guide to direct researcher attention during the remainder of the process may work better. As public contributors that have been involved in analysis we suggest an alternative approach in this brief letter, based on our own experiences.
Screening for cognitive impairment in Arabic-speaking Hajj pilgrims
Authors: Alzahrani Ahmad S. , Alhumaidi Faisal , Altowairqi Abdulaziz , Al-Malki Waad , AlFadhli Israa 
Published: September 2019

Abstract

Background
Although cognitive impairment is common in the elderly population, studies investigating its rate in Hajj pilgrims are lacking.

Objectives
To estimate the rate of cognitive impairment among a sample of Arabic-speaking elderly Hajj pilgrims and examine its association with their activities of daily living (ADL).

Methods
A cross-sectional study was conducted during the Hajj season 1438 Hijri Calendar (August 2017). Hajj pilgrims were recruited using a probability sampling method and were interviewed for demographics, the MINI-Cog and the ADL instrument.

Results
Among the 340 recruited pilgrims, 99 (29.2%) had positive results in the MINI-Cog indicating probable cognitive impairment. In multivariate logistic regression, the educational level (odds ratio (OD) 0.456; 95% CI 0.346 to 0.598) and the need for help during Hajj (OD 0.581; 95% CI 0.342 to 0.984) were found significantly associated with positive MINI-Cog. Although no significant differences in the ADL were found between pilgrims with and without positive MINI-Cog, the scores of the ADL and the MINI-Cog were found to be positively correlated but weak (rs = 0.134, P = 0.013) indicating a possible association between better cognitive functions and better ADL performance.

Conclusion
Probable cognitive impairment among Arabic elderly Hajj pilgrims was found to be very common. Further diagnostic studies and studies on the impact of cognitive impairment on the performance of Hajj pilgrims are warranted.
Membrane condenser as emerging technology for water recovery and gas pre-treatment: current status and perspectives
Authors: Brunetti Adele , Macedonio Francesca , Barbieri Giuseppe , Drioli Enrico 
Published: September 2019

Abstract
The recent roadmap of SPIRE initiative includes the development of “new separation, extraction and pre-treatment technologies” as one of the “key actions” for boosting sustainability, enhancing the availability and quality of existing resources. Membrane condenser is an innovative technology that was recently investigated for the recovery of water vapor for waste gaseous streams, such as flue gas, biogas, cooling tower plumes, etc. Recently, it has been also proposed as pre-treatment unit for the reduction and control of contaminants in waste gaseous streams (SOx and NOx, VOCs, H2S, NH3, siloxanes, halides, particulates, organic pollutants).
This perspective article reports recent progresses in the applications of the membrane condenser in the treatment of various gaseous streams for water recovery and contaminant control. After an overview of the operating principle, the membranes used, and the main results achieved, the work also proposes the role of this technology as pre-treatment stage to other separation technologies. The potentialities of the technology are also discussed aspiring to pave the way towards the development of an innovative technology where membrane condenser can cover a key role in redesigning the whole upgrading process.