bluuebunny/crossref_metadata_2025_split huggingface dataset:
Feature-based molecular networking for identification of organic micropollutants including metabolites by non-target analysis applied to riverbank filtration
Authors: Oberleitner Daniela , Schmid Robin , Schulz Wolfgang , Bergmann Axel , Achten Christine 
Published: July 2021

AbstractDue to growing concern about organic micropollutants and their transformation products (TP) in surface and drinking water, reliable identification of unknowns is required. Here, we demonstrate how non-target liquid chromatography (LC)-high-resolution tandem mass spectrometry (MS/MS) and the feature-based molecular networking (FBMN) workflow provide insight into water samples from four riverbank filtration sites with different redox conditions. First, FBMN prioritized and connected drinking water relevant and seasonally dependent compounds based on a modification-aware MS/MS cosine similarity. Within the resulting molecular networks, forty-three compounds were annotated. Here, carbamazepine, sartans, and their respective TP were investigated exemplarily. With chromatographic information and spectral similarity, four additional TP (dealkylated valsartan, dealkylated irbesartan, two oxygenated irbesartan isomers) and olmesartan were identified and partly verified with an authentic standard. In this study, sartans and TP were investigated and grouped regarding their removal behavior under different redox conditions and seasons for the first time. Antihypertensives were grouped into compounds being well removed during riverbank filtration, those primarily removed under anoxic conditions, and rather persistent compounds. Observed seasonal variations were mainly limited to varying river water concentrations. FBMN is a powerful tool for identifying previously unknown or unexpected compounds and their TP in water samples by non-target analysis.
Graphical abstract
Simultaneous determination of 137 drugs of abuse, new psychoactive substances, and novel synthetic opioids in meconium by UHPLC-QTOF
Authors: López-Rabuñal Ángela , Di Corcia Daniele , Amante Eleonora , Massano Marta , Cruz-Landeira Angelines , de-Castro-Ríos Ana , Salomone Alberto 
Published: July 2021

AbstractNew psychoactive substances (NPS) have been introduced into the market in recent years, with new analytes reported every year. The use of these substances in women can occur at any stage of life, even in the childbearing age. Drug use during pregnancy presents significant risks for the mother and the fetus, so it is important to have tools that allow to detect prenatal exposure to these substances of abuse. Therefore, an analytical method for the determination of 137 NPS and other drugs of abuse in meconium by UHPLC-QTOF was developed and validated for semi-quantitative purpose. Linearity range, limit of detection (LOD), precision, matrix effect, selectivity, and specificity were evaluated. For all analytes, the calibration curves were studied in the ranges between 2, 10, or 50 ng/g and 750 or 1000 ng/g, (depending on the analyte) and the LOD ranged between 0.04 and 2.4 ng/g. The method was applied to 30 meconium specimens from cases in which fentanyl had been administered as epidural anesthesia at the time of delivery or cases in which the maternal hair was positive to other drug of abuse. Four meconium samples tested positive for fentanyl (range concentration = 440–750 ng/g) and two samples tested positive to acetylfentanyl (range concentration = 190–1400 ng/g).
Percutaneous Sclerotherapy of Venous Malformations of the Hand: A Multicenter Analysis
Authors: Schmidt Vanessa F. , Masthoff Max , Goldann Constantin , Deniz Sinan , Öcal Osman , Häberle Beate , Köhler Michael , Seidensticker Max , Ricke Jens , Wohlgemuth Walter A. , Brill Richard , Wildgruber Moritz 
Published: July 2021

Abstract
Purpose
To evaluate the safety and outcome of percutaneous sclerotherapy for treating venous malformations (VMs) of the hand.

Materials and Methods
A retrospective multicenter trial of 29 patients with VMs primarily affecting the hand, including wrist, carpus, and/or fingers, treated by 81 percutaneous image-guided sclerotherapies using ethanol gel and/or polidocanol was performed. Clinical and imaging findings were assessed to evaluate clinical response, lesion size reduction, and complication rates. Substratification analysis was performed with respect to the Puig’s classification, the sclerosing agent, the injected volume of the sclerosant, and to previously performed treatments.

Results
The mean number of procedures per patient was 2.8 (± 2.2). Last follow-up (mean = 9.2 months) revealed a partial relief of symptoms in 78.9% (15/19), while three patients (15.8%) presented symptom-free and one patient (5.3%) with no improvement. Post-treatment imaging revealed an overall objective response rate of 88.9%. Early post-procedural complications occurred after 5/81 sclerotherapies (6.2%) and were entirely resolved by conservative means. Type of VM (Puig’s classification) as well as sclerosing agent had no impact on clinical response (p = 0.85, p = 0.11) or complication rates (p = 0.66, p = 0.69). The complication rates were not associated with the sclerosant volume injected (p = 0.76). In addition, no significant differences in clinical success (p = 0.11) or complication rates (p = 0.89) were detected when comparing patients with history of previous treatments compared to therapy-naive patients.

Conclusion
Percutaneous sclerotherapy is both safe and effective for treating VMs of the hand. Even patients with history of previous treatments benefit from further sclerotherapy showing similar low complication rates to therapy-naive patients.

Level of Evidence
Level 4, Retrospective study.
Visual analysis of geospatial multivariate data for investigating radioactive deposition processes
Authors: Takahashi Shigeo , Sakurai Daisuke , Sasaki Miyuki , Miyamura Hiroko N. , Sanada Yukihisa 
Published: July 2021

AbstractThe Fukushima nuclear accident of 2011 raised awareness of the importance of radioactive deposition processes, especially for proposing aerosol measures against possible air pollution. However, identifying these types of processes is often difficult due to complicated terrains. This paper presents an application study for identifying radioactive deposition processes by taking advantage of visual interaction with topographic data. The idea is to visually investigate the correspondence of the spatial positions to the air dose rate along with relevant attributes. This is accomplished by composing scatterplots of pairwise attributes, onto which we project terrain areas to interactively find specific patterns of such attributes. We applied our approach to the analysis of air dose rate distribution data around the Fukushima nuclear plant after the accident. Our visualization technique clearly distinguished contamination areas derived from different deposition processes and thus is useful for elucidation of the deposition process.
No increased injury incidence in the German Bundesliga after the SARS-CoV-2 virus lockdown
Authors: Krutsch Werner , Hadji Abed , Tröß Tobias , Szymski Dominik , aus der Fünten Karen , Gärtner Barbara , Alt Volker , Meyer Tim 
Published: July 2021

Abstract
Introduction
The coronavirus lockdown in 2020 resulted in a worldwide suspension of professional sports. The first major professional football league to restart after the lockdown was the German Bundesliga. This study investigates whether the injury incidence increased after the restart of the season with only 9 days of regular preparation time and without any friendly matches in comparison to three control periods.

Materials and methods
In a prospective cohort study, injury analysis (at least 1 day of absence from official football matches or training sessions) of the German Bundesliga registry was standardised according to Hägglund et al. (Br J Sports Med 39:340–346, 2005) and Fuller et al. (Clin J Sports Med 16:97–106, 2006) for data collection and to previous publications for the validated use of media sources for injury registration. The study period after the lockdown in May and June of the 2019–2020 season was compared to three control periods: the period directly before the lockdown, the beginning of the 2019–2020 season and the 2018–2019 season final.

Results
The nine match days after the restart of the 2019–2020 season showed an overall injury incidence of 4.9 per 1000 h football. This rate was significantly lower than that of the previous season final (9 last match days, overall injury incidence: 6.9 per 1000 h football; p < 0.001) and not increased compared to the rates after the summer break (9 match days; incidence: 5.5/1000 h, p > 0.05) or the winter break (8 match days; incidence: 5.6/1000 h, p > 0.05).

Conclusion
The period after the unexpected break in the 2019–2020 season due to the coronavirus lockdown and the rapid return to competition showed no increase in the injury rate compared to the pre-lockdown period and a lower injury rate than in the previous season final. The unintentional mid-season rest with its potential for physical recovery and individual fitness training seems to have had a positive effect on injury occurrence.
Advanced ocular surface squamous cell carcinoma (OSSC): long-term follow-up
Authors: Savino Gustavo , Cuffaro Giovanni , Maceroni Martina , Pagliara Monica Maria , Sammarco Maria Grazia , Giraldi Luca , Blasi Maria Antonietta 
Published: July 2021

Abstract
Purpose
To analyze the clinical characteristics and long-term follow-up of patients with advanced ocular surface squamous cell carcinoma (OSSC) involving periocular tissues and/or orbit. Primary outcomes were overall survival (OS), disease-free survival (DFS), and overall recurrence rate (RR). Secondary outcomes were a correlation between primary outcomes and tumor location, American Joint Committee on Cancer Classification (AJCC) staging system, histological results, surgical margins, and type of treatment. Study design: a retrospective case series.

Methods
The medical records of patients affected by OSSC involving periocular tissues and/or orbit referring, from 01/2011 to 01/2020, to our tertiary referral center were reviewed.

Results
Thirty-six eyes of 36 patients were included. The mean age was 68.2 years; 18 (50%) patients were males. The mean follow-up was 40 months. The RR was 64%. The OS at 12, 24, 36, and 60 months was respectively 97.1%, 92.7%, 92.7%, and 92.7%. The DFS at 12, 24, 36, and 60 months was respectively 62.9%, 50.8%, 41.6%, and 29.7%. Multicentric disease (p = 0.0039), inferior tarsus localization (p = 0.0428), histological diagnosis of high-risk SSCs (p = 0.0264), positive surgical margins (p = 0.0434), and excisional biopsy (EB) alone (p = 0.0005) were associated with an increased risk of recurrence. A shorter OS was observed in patients who underwent EB alone (p = 0.0049).

Conclusion
OSCC involving periocular tissues and/or orbit is an aggressive disease with a high recurrence rate. Multicentric disease, positive surgical margins, inferior tarsus localization, and surgery without adjuvant therapies are strong predictors of recurrence and are the main factors affecting prognosis.
Prediction of the critical temperature of a superconductor by using the WOA/MARS, Ridge, Lasso and Elastic-net machine learning techniques
Authors: García-Nieto Paulino José , García-Gonzalo Esperanza , Paredes-Sánchez José Pablo 
Published: July 2021

AbstractThis study builds a predictive model capable of estimating the critical temperature of a superconductor from experimentally determined physico-chemical properties of the material (input variables): features extracted from the thermal conductivity, atomic radius, valence, electron affinity and atomic mass. This original model is built using a novel hybrid algorithm relied on the multivariate adaptive regression splines (MARS) technique in combination with a nature-inspired meta-heuristic optimization algorithm termed the whale optimization algorithm (WOA) that mimics the social behavior of humpback whales. Additionally, the Ridge, Lasso and Elastic-net regression models were fitted to the same experimental data for comparison purposes. The results of the current investigation indicate that the critical temperature of a superconductor can be successfully predicted using this proposed hybrid WOA/MARS-based model. Furthermore, the results obtained with the Ridge, Lasso and Elastic-net regression models are clearly worse than those obtained with the WOA/MARS-based model.
When is there a representer theorem?
Authors: Schlegel Kevin 
Published: July 2021

AbstractWe consider a general regularised interpolation problem for learning a parameter vector from data. The well-known representer theorem says that under certain conditions on the regulariser there exists a solution in the linear span of the data points. This is at the core of kernel methods in machine learning as it makes the problem computationally tractable. Most literature deals only with sufficient conditions for representer theorems in Hilbert spaces and shows that the regulariser being norm-based is sufficient for the existence of a representer theorem. We prove necessary and sufficient conditions for the existence of representer theorems in reflexive Banach spaces and show that any regulariser has to be essentially norm-based for a representer theorem to exist. Moreover, we illustrate why in a sense reflexivity is the minimal requirement on the function space. We further show that if the learning relies on the linear representer theorem, then the solution is independent of the regulariser and in fact determined by the function space alone. This in particular shows the value of generalising Hilbert space learning theory to Banach spaces.
Equivalence testing of a newly developed interviewer-led telephone script for the EORTC QLQ-C30
Authors: Piccinin Claire , Pe Madeline , Kuliś Dagmara , Shaw James W. , Wheelwright Sally J. , Bottomley Andrew 
Published: July 2021

Abstract
Purpose
The European Organisation for Research and Treatment of Cancer (EORTC) Quality of Life-Core Questionnaire (QLQ-C30) is a widely used generic self-report measure of health-related quality of life (HRQOL) for cancer patients. However, no validated voice script for interviewer-led telephone administration was previously available. The aim of this study was to develop a voice script for interviewer administration via telephone.

Methods
Following guidelines from the International Society for Pharmacoeconomics and Outcomes Research (ISPOR) PRO Mixed Modes Good Research Practices Task Force, a randomised cross-over equivalence study, including cognitive debriefing, was conducted to assess equivalence between paper and telephone administration modes. Assuming an expected intraclass correlation coefficient (ICC) of 0.70 and a minimally acceptable level of 0.50, a sample size of 63 was required.

Results
Cognitive interviews with five cancer patients found the voice script to be clear and understandable. Due to a protocol deviation in the first wave of testing, only 26 patients were available for analyses. A second wave of recruitment was conducted, adding 37 patients (n = 63; mean age 55.48; 65.1% female). Total ICCs for mode comparison ranged from 0.72 (nausea and vomiting, 95% CI 0.48–0.86) to 0.90 (global health status/QoL, 95% CI 0.80–0.95; pain, 95% CI 0.79–0.95; constipation, 95% CI 0.80–0.95). For paper first administration, all ICCs were above 0.70, except nausea and vomiting (ICC 0.55; 95% CI 0.24–0.76) and financial difficulties (ICC 0.60; 95% CI 0.31–0.79). For phone first administration, all ICCs were above 0.70.

Conclusions
The equivalence testing results support the voice script’s validity for administration of the QLQ-C30 via telephone.
Altruism and efficient allocations in three-generation households
Authors: Bartczak Anna , Budziński Wiktor , Chilton Susan , McDonald Rebecca , Nielsen Jytte Seested 
Published: July 2021

AbstractIn this paper we test the efficiency of family resource allocation in three-generation households. Understanding how the so-called “squeezed middle” generation allocates resources towards the children and grandparents in the household will be increasingly important as populations age, and more elderly people become dependent upon their relations for financial support. Despite a large literature on household resource allocation in two-generation households (parents and children), to the best of our knowledge ours is the first study that includes the third generation. We present a theoretical model and conduct a discrete choice experiment in the context of reductions in the lifetime risk of developing coronary artery disease to verify the efficient resource allocation hypothesis. The data is obtained from a large sample of the Polish population. The sample consists of the middle generation members of three-generation households and hence WTP represents household value from the perspective of the “squeezed middle” parent. The results imply that household resource allocation is efficient. This has implications for understanding the likely response to government financial support aimed at supporting elderly people and their families.
Lineament mapping for a part of the Central Sulaiman Fold–Thrust Belt (SFTB), Pakistan
Authors: Wajid Ali Abbas , Anees Muhammad , Alam Shams ul , Gorchani Jodat Kamran , Shahzad Khurram , Israr Asif , Shafique Muhammad 
Published: July 2021

AbstractThis study aims to analyze the lineaments using the field data and a remote sensing approach, to describe their relationship with the folds, faults, and regional tectonic stress of the central Sulaiman Fold-Thrust Belt. Joint data, from nine anticlines, has been collected using the scanline method and classified into three sets (JS1, JS2, and JS3) based on their geometrical relationships. Lineaments extracted from the 30 m digital elevation model have been classified subsequently into three lineament sets (LS1, LS2, and LS3) based on the azimuths from the corresponding joint sets. A very high correlation coefficient (rs = 0.97), between the azimuths of the field joints and the remotely sensed lineaments, has been observed which validates that the lineaments are the regional representation of the local field joints. The geometrical relationship of the lineament sets with the fold hinges indicates that the older LS1 and LS2 are strongly related to the regional folding episode, while the younger LS3 is a result of local shears. The chronological interpretation of the deformational events responsible for the lineament sets is constrained by the presence of the Kingri Fault, which induces a strike-slip component within the study area. Furthermore, the controls on the joint and lineament sets, established using multivariate statistics to decipher the effects of lithological and structural contrasts on the lineament density, reveal that an increase in the lineament density can be attributed to the competence and thickness of the rock units as well as the variable local stresses across the different folds. Based on the orientations of these lineament sets, the cumulative direction of the compressive event in the NW-SE direction (310–320) coincides with the regional stress direction of the SFTB.
Sequential three-step process for the treatment of slaughter house wastewater and its optimization using response surface modeling studies
Authors: Al-Saidi Aliya Said Khalfan , Rashidi Nabila Nasser Said Al , Devi M. Geetha , Joy Varghese Manappallil 
Published: July 2021

AbstractThe rapid growth in the world population and fast developing industrialization have resulted in the acceleration of environmental pollution due to inadequate treatment methods accompanied by depletion of freshwater. The current research focused on the batch treatment of slaughter house wastewater (SWW) using the sequential three-step electro-coagulation (EC)–electro-oxidation (EO)–adsorption column (AC) processes and to compare the optimized values with the Omani National Standards for the application in irrigation purpose. The characterization of SWW before and after treatment was carried out by measuring chemical oxygen demand (COD), total organic carbon (TOC), total dissolved solids (TDS), turbidity, ammoniacal nitrogen (NH4–N) and conductivity. The optimization of the treatment processes was performed by response surface methodology (RSM) using central composite design. The maximum response obtained using EC unit was 99% with an operating cost of 2.78 USD/m3. The optimum treatment conditions in EC method were found to be 4.0 pH, electrolysis time of 30 min and electrolyte dosage of 5 g/L, with a current density of 18.11 mA/cm2. The maximum reduction in COD was 97% with an operating cost 0.32 USD/m3. The optimum COD reduction in EO method was 84.5% with an operating cost of 6.87 USD/m3. The optimum process parameters in the EO process were observed at 5.0 pH, 56.22 min electrolysis time with 5 g/L electrolyte dosage and a current density of 5 mA/cm2. The response shows 56.27% reduction in COD with an operating cost of 0.088 USD/m3. The study demonstrates that both EC and EO processes for the reduction of COD have a significant effect on the current density. Using adsorption column (AC) studies, the maximum reduction in COD was 76.8% with negligible operating cost. The optimum pH in the case of AC was 7.5, with an effluent flow rate of 8.63 mL/min, and the responses were found to be 76.067%, which indicates both pH and flow rate have significant effect on the % removal of COD.
Numerical modeling of water hammer in long water transmission pipeline
Authors: Arefi Mohammad Hossein , Ghaeini-Hessaroeyeh Mahnaz , Memarzadeh Rasoul 
Published: July 2021

AbstractIn the present study, a water transmission pipeline under steady conditions is modeled followed by examining the transient flow created by the failure of pumps in the pipeline. This pipeline is 31 km from the water transmission pipeline of Kerman, Iran. The software analysis results were compared with those of a numerical model for a laboratory test to validate transient flow modeling. While transient flows are created by pump failure, various areas of the water transmission pipelines will be affected by the transient waves produced. Long water transmission pipelines, usually large in diameter and flow rate, will pose problems in the negative pressure phase. The negative pressure causes threatening problems like water column separation and cavitation. The results indicated that using equipment like air valves when the pumps fail alone does not have the appropriate efficiency in eliminating the hazards in the water transmission pipelines. More examination showed that installing equipment like water flow feed and hydropneumatic tanks along the pipeline length in the right places prevents the negative pressure created and the pipeline risk significantly reduces.