bluuebunny/crossref_metadata_2025_split huggingface dataset:
Successful use of a novel lux® i‐Amylose‐1 chiral column for enantioseparation of “legal highs” by HPLC
Authors: Kadkhodaei Kian , Kadisch Marlene , Schmid Martin G. 
Published: November 2019

AbstractBath salts, fumigations, cleaners and air fresheners, behind these terms substances are hidden, which count as “Legal Highs”. These fancy names are used to pretend Legal Highs as harmless compounds, to circumvent legal regulations for marketing as well as to increase the sales. Besides classic illicit drugs of synthetic origin such as amphetamines, cocaine and MDMA, the trade of these compounds, also known as new psychoactive substances (NPS), is not uncommon today. In many countries, NPS are still not subject to drug control. Among them, there are stimulants such as new amphetamine derivatives or cathinones, which possess a chiral centre. Little is known about the fact that the two possible enantiomers may differ in their pharmacological effect. The aim of this study was to test a novel HPLC column for the enantioseparation of a set of 112 NPS coming from different chemical groups and collected by internet purchases during the years 2010–2018. The CSP, namely Lux® 5 μm i‐Amylose‐1, LC Column 250 x 4.6 mm, was run in normal phase mode under isocratic conditions, UV detection was performed at 245 nm and 230 nm, injection volume was 10 μl and flow rate was 1 ml/min. With a mobile phase consisting of n‐hexane/isopropanol/diethylamine (90:10:0.1), herein, 79 NPS were resolved into their enantiomers successfully, for 37 of them baseline resolution was achieved. After increase of lipophily of the mobile phase to 99:1:0.1, another 27 compounds were baseline separated. It was found that all separated NPS are traded as racemic compounds.
Age‐related ultrastructural features of the tongue of the rock pigeon Columba livia dakhlae in different three age stages (young, mature, and adult) captured from Egypt
Authors: Abumandour Mohamed M. A. , Kandyel Ramadan M. 
Published: November 2019

AbstractThis study represents the first attempt to describe the ultra‐structural and histological features of different three age‐stages (young, mature, and adult) of rock pigeon Columba livia dakhlae captured from Egypt. The elongated tongue with round lingual apex carried a lingual nail rostrally on lingual tip. The current work gave a first record of numerous descriptions as in young and mature, small lingual nail formed from aggregation of lingual scales, but in adult, the nail formed from lingual membrane without any lingual scales. The current work gave full descriptive methods of shape, directions, and distribution of filiform‐like papillae with lingual scales among three age‐stages on dorsal surface and lateral border of apex and body. The taste buds present only on the tongue of mature and adult pigeon. The only one transverse row in young took the wide V‐shape but, wide U‐shape in mature and adult. The papillae on the papillary crest took triangular spoonful‐like shape in young and mature, but in adult take the shape of blunt tubercles. The current work was the first record of the presence of the openings of lingual glands on concave dorsal lingual surface of giant papillae and papillae of papillary crest in adult stage. The lingual membrane was thin one membrane in young and three to four layers in mature but, in adult it is well‐developed and formed from 10–11 layers. The supportive entoglossum cartilaginous was extended rostrally till the apical part.
Comprehensive analysis of the differential expression profile of microRNAs in missed abortion
Authors: Tian Qiao‐Xian , Xia Shu‐Hua , Wu Ya‐Hua , Zhang Jian‐Hong , Wang Ling‐Yun , Zhu Wei‐Pei 
Published: November 2019

AbstractTo screen the key circulating microRNAs (miRNAs) involved in missed abortion (MA) and explore their role in MA process. We examined the miRNA profile from the serum of three MA patients and three early pregnancy induced abortion patients (controls) by next‐generation sequencing. We analyzed the target genes of the differentially expressed (DE) miRNAs to analyze the function and pathway enrichment using Gene Ontology and Kyoto Encyclopedia of Genes and Genomes, respectively. We validated five candidate miRNAs by real time‐qPCR. Integrated miRNA‐mRNA‐pathway network analysis was performed to show the interaction network of the candidate miRNAs and their target genes of interest with the involved pathways. It was observed that 227 miRNAs were differently expressed between the MA group and the early pregnancy control group, with 58 miRNAs downregulated and 169 miRNAs upregulated in the MA group. Real‐time qPCR results revealed that expression of the five candidate miRNAs, namely hsa‐miR‐22‐3p, hsa‐miR‐145‐3p, hsa‐miR‐107, hsa‐miR‐361‐3p, and hsa‐miR‐378c, was consistent with the miRNA data obtained by sequencing. Integrated miRNA‐mRNA‐pathway network analysis illustrated that target genes of the candidate miRNAs were mainly involved in the PI3K‐Akt signaling pathway, HIF‐1 signaling pathway, and VEGF signaling pathway, which would have potential significance in pregnancy and MA. We are the first to reveal the DE miRNAs involved in MA and illustrate their functional interaction network. These results might provide potential circulating biomarkers and new therapeutic targets for MA.
iQSPR in XenonPy: A Bayesian Molecular Design Algorithm
Authors: Wu Stephen , Lambard Guillaume , Liu Chang , Yamada Hironao , Yoshida Ryo 
Published: November 2019

AbstractiQSPR is an inverse molecular design algorithm based on Bayesian inference that was developed in our previous study. Here, the algorithm is integrated in Python as a new module called iQSPR‐X in the all‐in‐one materials informatics platform XenonPy. Our new software provides a flexible, easy‐to‐use, and extensible platform for users to build customized molecular design algorithms using pre‐set modules and a pre‐trained model library in XenonPy. In this paper, we describe key features of iQSPR‐X and provide guidance on its use, illustrated by an application to a polymer design that targets a specific range of bandgap and dielectric constant.
Mobilization of Environmental Toxicants Following Bariatric Surgery
Authors: Brown Robert H. , Ng Derek K. , Steele Kimberley , Schweitzer Michael , Groopman John D. 
Published: November 2019

ObjectivePersistent organic pollutants (POPs) are lipophilic environmental toxicants that accumulate in adipose tissue. Weight loss leads to mobilization and increased redistribution of these toxicants. Many are obesogens and endocrine disruptors. Increased exposure could pose long‐term health risks. The study objective was to measure the changes in serum concentrations of lipophilic POPs during significant weight loss.MethodsThis study enrolled 27 patients at a university hospital in a longitudinal, 6‐month, observational study examining changes in POP blood levels after bariatric surgery. The primary outcome was the changes in the concentrations of 24 polychlorinated biphenyls (PCBs), 9 organochlorine pesticides (OCPs), 11 polybrominated diphenyl ethers, 2,2′,4,4′,5,5′‐hexabromobiphenyl, and 4 perfluorochemicals (PFCs).ResultsOlder adults (those born before 1976) had baseline levels of PCBs, OCPs, and PFCs that were two‐ to fivefold higher than younger adults (those born after 1976). Older adults had greater increases in PCBs, OCPs, and polybrominated diphenyl ethers associated with weight loss. Conversely, younger adults had greater increases in PFCs associated with weight loss. On average, blood POP levels increased as weight loss occurred.ConclusionsAlthough weight loss is considered beneficial, the release and redistribution of POPs to other lipid‐rich organs such as the brain, kidneys, and liver warrant further investigation. Interventions should be considered to limit organ exposure to POPs when weight loss interventions are planned.
Progress of Catalytic Oxidation of Formaldehyde over Manganese Oxides
Authors: Zhu Silong , Wang Jie , Nie Longhui 
Published: November 2019

AbstractThermal catalytic oxidation is a promising and effective technique for the removal of harmful formaldehyde (HCHO) in indoor air. Manganese oxide is a mostly‐investigated non‐noble metal oxide catalyst and attracts much attention due to its better catalytic performance for formaldehyde oxidation at low temperature. In this review, the effect of manganese oxide crystal structure, surface morphology and microstructure, surface active oxygen species, reducibility as well as catalytic reaction conditions (temperature, relative humidity and HCHO initial concentration) on catalytic performance, and the catalytic mechanism over manganese oxide were summarized and discussed. The challenges and prospects for future development of manganese oxide in catalytic oxidation of formaldehyde are also covered.
Synthesis of 1H‐Thiopyrano[4,3‐c]quinoline Scaffold via One‐pot Three‐component Cyclization
Authors: Alizadeh Abdolali , Rezaiyehraad Reza , Roosta Atefeh , Halvagar Mohammad Reza 
Published: November 2019

AbstractA convenient and effective one‐pot synthetic method for functionalized 1H‐thiopyrano[4,3‐c]quinoline scaffold via three‐component cyclization is described. This procedure contains the reaction between 2‐chloroquinoline‐3‐carbaldehyde and 2 equivalents of phenacyl thiocyanate in the presence of triethylamine in absolute ethanol at room temperature with good yield. This eco‐friendly method has advantages such as reduction of waste, short synthetic procedure, and little amount of required reagents.
Brownian Thermometry Beyond Equilibrium
Authors: Geiß Daniel , Kroy Klaus 
Published: November 2019

AbstractSince Albert Einstein's seminal 1905‐paper on Brownian motion, the temperature of fluids and gases of known viscosity can be deduced from observations of the fluctuations of small suspended probe particles. We summarize recent generalizations of this standard technique of Brownian thermometry to situations involving spatially heterogeneous temperature fields and other non‐equilibrium conditions in the solvent medium. The notion of effective temperatures is reviewed and its scope critically assessed. Our emphasis is on practically relevant real‐world applications, for which effective temperatures have been explicitly computed and experimentally confirmed. We also elucidate the relation to the more general concept of (effective) temperature spectra and their measurement by Brownian thermospectrometry. Finally, we highlight the conceptual importance of non‐equilibrium thermometry for active and biological matter, such as microswimmer suspensions or biological cells, which often play the role of non‐thermal (“active”) heat baths for embedded Brownian degrees of freedom.
Supervision training in healthcare: a realist synthesis
Authors: Rees Charlotte E. , Lee Sarah L. , Huang Eve , Denniston Charlotte , Edouard Vicki , Pope Kirsty , Sutton Keith , Waller Susan , Ward Bernadette , Palermo Claire 
Published: November 2019

AbstractSupervision matters: it serves educational, supportive and management functions. Despite a plethora of evidence on the effectiveness of supervision, scant evidence for the impact of supervision training exists. While three previous literature reviews have begun to examine the effectiveness of supervision training, they fail to explore the extent to which supervision training works, for whom, and why. We adopted a realist approach to answer the question: to what extent do supervision training interventions work (or not), for whom and in what circumstances, and why? We conducted a team-based realist synthesis of the supervision training literature focusing on Pawson’s five stages: (1) clarifying the scope; (2) determining the search strategy; (3) study selection; (4) data extraction; and (5) data synthesis. We extracted contexts (C), mechanisms (M) and outcomes (O) and CMO configurations from 29 outputs including short (n = 19) and extended-duration (n = 10) supervision training interventions. Irrespective of duration, interventions including mixed pedagogies involving active and/or experiential learning, social learning and protected time served as mechanisms triggering multiple positive supervisor outcomes. Short-duration interventions also led to positive outcomes through mechanisms such as supervisor characteristics, whereas facilitator characteristics was a key mechanism triggering positive and negative outcomes for extended-duration interventions. Disciplinary and organisational contexts were not especially influential. While our realist synthesis builds on previous non-realist literature reviews, our findings extend previous work considerably. Our realist synthesis presents a broader array of outcomes and mechanisms than have been previously identified, and provides novel insights into the causal pathways in which short and extended-duration supervision training interventions produce their effects. Future realist evaluation should explore further any differences between short and extended-duration interventions. Educators are encouraged to prioritize mixed pedagogies, social learning and protected time to maximize the positive supervisor outcomes from training.
Lacisediminihabitans profunda gen. nov., sp. nov., a member of the family Microbacteriaceae isolated from freshwater sediment
Authors: Zhuo Ye , Jin Chun-Zhi , Jin Feng-Jie , Li Taihua , Kang Dong Hyo , Oh Hee-Mock , Lee Hyung-Gwan , Jin Long 
Published: November 2019

Abstract
A novel Gram-stain-positive bacterial strain, CHu50b-6-2T, was isolated from a 67-cm-long sediment core collected from the Daechung Reservoir at a water depth of 17 m, Daejeon, Republic of Korea. The cells of strain CHu50b-6-2T were aerobic non-motile and formed yellow colonies on R2A agar. The phylogenetic analysis based on 16S rRNA gene sequencing indicated that the strain formed a separate lineage within the family Microbacteriaceae, exhibiting 98.0%, 97.7% and 97.6% 16S rRNA gene sequence similarities to Glaciihabitans tibetensis KCTC 29148T, Frigoribacterium faeni KACC 20509T and Lysinibacter cavernae DSM 27960T, respectively. The phylogenetic trees revealed that strain CHu50b-6-2T did not show a clear affiliation to any genus within the family Microbacteriaceae. The chemotaxonomic results showed B1α type peptidoglacan containg 2, 4-diaminobutyric acid (DAB) as the diagnostic diamino acid, MK-10 as the predominant respiratory menaquinone, diphosphatidylglycerol, phosphatidylglycerol, and an unidentified glycolipid as the major polar lipids, anteiso-C15:0, iso-C16:0, and anteiso-C17:0 as the major fatty acids, and a DNA G + C content of 67.3 mol%. The combined genotypic and phenotypic data showed that strain CHu50b-6-2T could be distinguished from all genera within the family Microbacteriaceae and represents a novel genus, Lacisediminihabitans gen. nov., with the name Lacisediminihabitans profunda sp. nov., in the family Microbacteriaceae. The type strain is CHu50b-6-2T (= KCTC 49081T = JCM 32673T).
An Online Survey of Pedestrian Evacuation Model Usage and Users
Authors: Lovreglio Ruggiero , Ronchi Enrico , Kinsey Michael J. 
Published: November 2019

Abstract
Pedestrian evacuation models are often used to assess life safety in the performance-based design process within fire safety engineering. Within this paper, a summary of data collected via an international online survey regarding the models and users’ experiences and needs is presented. This survey consisted of 22 questions focusing on: the assessment of the pedestrian evacuation model user community; their stated importance of model features to select a model; usage/awareness of models; knowledge of model validation and verification; training; and usage of multiple models. As such, the survey allowed the collection of information useful for instructing future pedestrian evacuation model development. The survey represents an expanded version of a previous survey conducted by the authors in 2011. Results with the previous survey were compared to identify any changes in preference and usage by pedestrian evacuation model users. The survey was completed by 234 respondents from 41 countries. The respondents had a wide range of education and occupational backgrounds and use models for a variety of different purposes. The results identified a total of 72 pedestrian evacuation models currently in use and indicated the most known models. In addition, the most used models were identified, and the results highlighted that the three key factors used to select a pedestrian evacuation model are overall consistent with the results of the 2011 survey: verification and validation, documentation, and data output of the model.
Calibration of in situ chlorophyll fluorometers for organic matter
Authors: Kuha Jonna , Järvinen Marko , Salmi Pauliina , Karjalainen Juha 
Published: November 2019

AbstractOrganic matter (OM) other than living phytoplankton is known to affect fluorometric in situ assessments of chlorophyll in lakes. For this reason, calibrating fluorometric measurements for OM error is important. In this study, chlorophyll (Chl) fluorescence was measured in situ in multiple Finnish lakes using two sondes equipped with Chl fluorometers (ex.470/em.650–700 nm). OM absorbance (A420) was measured from water samples, and one of the two sondes was also equipped with in situ fluorometer for OM (ex.350/em.430 nm). The sonde with Chl and OM fluorometers was also deployed continuously on an automated water quality monitoring station on Lake Konnevesi. For data from multiple lakes, inclusion of water colour estimates into the calibration model improved the predictability of Chl assessments markedly. When OM absorbance or in situ OM fluorescence was used in the calibration model, predictability between the in situ Chl and laboratory Chl a assessments was also enhanced. However, correction was not superior to the one done with the water colour estimate. Our results demonstrated that correction with water colour assessments or in situ measurements of OM fluorescence offers practical means to overcome the variation due to OM when assessing Chl in humic lakes in situ.
Quality of life in older adults receiving hemodialysis: a qualitative study
Authors: Hall Rasheeda K. , Cary Michael P. , Washington Tiffany R. , Colón-Emeric Cathleen S. 
Published: November 2019

AbstractPurposePatient priorities for quality of life change with age. We conducted a qualitative study to identify quality of life themes of importance to older adults receiving dialysis and the extent to which these are represented in existing quality of life instruments.MethodsWe conducted semi-structured interviews with 12 adults aged ≥ 75 years receiving hemodialysis to elicit participant perspectives on what matters most to them in life. We used framework analysis methodology to process interview transcripts (coding, charting, and mapping), identify major themes, and compare these themes by participant frailty status. We examined for representation of our study’s subthemes in the Kidney Disease Quality of Life (KDQOL-36) and the World Health Organization Quality of Life for Older Adults (WHOQOL-OLD) instruments.ResultsAmong the 12 participants, average age was 81 (4.2) years, 7 African-American, 6 women, and 6 met frailty criteria. We identified two major quality of life themes: (1) having physical well-being (subthemes: being able to do things independently, having symptom control, maintaining physical health, and being alive) and (2) having social support (subthemes: having practical social support, emotional social support, and socialization). Perspectives on the subthemes often varied by frailty status. For example, being alive meant surviving from day-to-day for frail participants, but included a desire for new life experiences for non-frail participants. The majority of the subthemes did not correspond with domains in the KDQOL-36 and WHOQOL-OLD instruments.ConclusionNovel instruments are likely needed to elicit the dominant themes of having physical well-being and having social support identified by older adults receiving dialysis.
Spectral density-based and measure-preserving ABC for partially observed diffusion processes. An illustration on Hamiltonian SDEs
Authors: Buckwar Evelyn , Tamborrino Massimiliano , Tubikanec Irene 
Published: November 2019

AbstractApproximate Bayesian computation (ABC) has become one of the major tools of likelihood-free statistical inference in complex mathematical models. Simultaneously, stochastic differential equations (SDEs) have developed to an established tool for modelling time-dependent, real-world phenomena with underlying random effects. When applying ABC to stochastic models, two major difficulties arise: First, the derivation of effective summary statistics and proper distances is particularly challenging, since simulations from the stochastic process under the same parameter configuration result in different trajectories. Second, exact simulation schemes to generate trajectories from the stochastic model are rarely available, requiring the derivation of suitable numerical methods for the synthetic data generation. To obtain summaries that are less sensitive to the intrinsic stochasticity of the model, we propose to build up the statistical method (e.g. the choice of the summary statistics) on the underlying structural properties of the model. Here, we focus on the existence of an invariant measure and we map the data to their estimated invariant density and invariant spectral density. Then, to ensure that these model properties are kept in the synthetic data generation, we adopt measure-preserving numerical splitting schemes. The derived property-based and measure-preserving ABC method is illustrated on the broad class of partially observed Hamiltonian type SDEs, both with simulated data and with real electroencephalography data. The derived summaries are particularly robust to the model simulation, and this fact, combined with the proposed reliable numerical scheme, yields accurate ABC inference. In contrast, the inference returned using standard numerical methods (Euler–Maruyama discretisation) fails. The proposed ingredients can be incorporated into any type of ABC algorithm and directly applied to all SDEs that are characterised by an invariant distribution and for which a measure-preserving numerical method can be derived.
Developing a Public Health Monitoring System in a War-torn Region: A Field Report From Iraqi Kurdistan
Authors: Moramarco Stefania , Basa Faiq B. , Alsilefanee Haveen H. , Qadir Sivar A. , Emberti Gialloreti Leonardo 
Published: November 2019

ABSTRACTWars, terrorism, and embargos destroyed facilities and shattered the public health system of Iraq. Today, there is limited documented knowledge about the health situation of the Iraqi population, particularly because health data are not systematically collected. Therefore, the capacity of the health system to address the major health problems of the population is considerably reduced. This report describes the implementation, started in 2015, of an electronic system for epidemiological monitoring and health surveillance, designed to collect and manage health care data in Iraqi Kurdistan. The aim of the program is to network all of the main health centers and hospitals of the region, then of the whole country, and to train medical and administrative staff in the management and analysis of health data. In countries recovering from war, a functioning health monitoring system is essential in guiding the development of appropriate public health interventions, a key instrument to prepare the health system to respond to future emergencies.