bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, spectroscopic characterization, density functional, thermal studies, and molecular docking simulation of rare earth element complexes
Authors: Ahmed Yasmin M. , Mohamed Gehad G. 
Published: October 2021

AbstractSix new complexes, namely, [ErH2L1Cl2H2O]Cl·5H2O, [YbH2L1Cl2H2O]Cl·5H2O, [LaH2L1Cl2H2O]Cl·4H2O, [ErHL2(H2O)4]Cl2·5H2O, [YbHL2(H2O)4]Cl2·4H2O, and [LaHL2Cl(H2O)3]Cl·5H2O, have been prepared under sufficient experimental conditions. The six complexes have been characterized by UV–visible tests, infrared (IR) spectroscopy, elemental analyses, and molar conductivity measurements. Thermal studies using thermogravimetric analysis demonstrated that the complexes decomposed in three to four steps within the temperature range 30–900°C and metal oxides left as residues. At the DFT/B3LYP/LANL2DZ level of theory, theoretical calculations including geometry optimization and some quantum chemical parameters were carried out. Time‐dependent density functional theory (TD‐DFT) measurements have also been conducted to allocate their electronic spectra. All the complexes exhibit molecular structure with the metal ions in six‐coordination geometry. According to the spectroscopic data, the investigated ligands coordinated to the metal ions in bidentate (H2L1) and tridentate (HL2) coordination mode. All complexes were tested for in vitro anticancer, antibacterial, and antifungal activities where they exhibited promising antibacterial and antifungal activity. Furthermore, the molecular docking study examined the possible ways to tie up Staphylococcus aureus' 50S‐RsfS complex with the crystal structure of Cryo‐EM (PDB ID: 6SJ6).
Computational fluid dynamics simulation of multi‐phase flow characteristics in an industrial‐scale randomly packed tower
Authors: Tan Hongbo , Wen Na , Ding Zhi 
Published: October 2021

AbstractA three‐dimensional (3‐D) two‐phase Eulerian–Eulerian‐based computational fluid dynamics (CFD) simulation method coupled with a porous media model was developed in this study to simulate the air–water two‐phase flow in an industrial‐scale randomly packed air cooling tower (RPACT). The authors discussed the effects of gas kinetic energy factor, liquid load, packing materials, and packed bed height on the hydrodynamic performances of the gas–liquid counter‐current flow in the proposed RPACT. The simulation results show that the pressure drop increases with the gas or liquid load increases. Liquid load influences the pressure drop, liquid holdup, and wall film flow rate sensitively. A smaller liquid load, a middle range of gas kinetic energy factor, a relatively greater porous resistance coefficient of packing material, and a higher packed bed height can achieve a more uniform liquid flow distribution in an RPACT. The optimum operating conditions for the present RPACT are determined as gas kinetic energy factor is from 1.76 to 2.11 [(m/s) (kg/m3)0.5], liquid load is in the range of 32.40–67.73 m3/h, and the plastic Cascade ring (filled in the second packing layer) with a height of 10 m. The presented CFD models are useful for engineers to design and optimize the structure and operation conditions of industrial‐scale RPACTs.
Effect of O2 concentration on combustion behavior and kinetics of coal gangue during oxy‐fuel combustion and oxy‐steam combustion
Authors: Gao Shaolong , Wang Baofeng , Yang Fengling , Zhang Kai , Cheng Fangqin 
Published: October 2021

AbstractIn this work, the effect of O2 concentration on combustion behavior and kinetics of coal gangue during oxy‐fuel combustion and oxy‐steam combustion were studied by non‐isothermal thermogravimetric analysis technology. The results showed that the increase of O2 concentration could improve the combustion performance of coal gangue. The O2/CO2 atmosphere was unfavorable to the combustion of coal gangue compared with the O2/N2 atmosphere. Furthermore, the gasification reaction could accelerate overall carbon consumption in oxy‐steam combustion with 5% O2 concentration; and the presence of H2O could delay the ignition and accelerate burnout at this condition. Kinetic analysis showed that the combustion of coal gangue in O2/N2 and O2/CO2 atmosphere followed the first‐order kinetics under O2 concentrations studied; and the combustion in O2/H2O atmosphere followed the 0.5‐order kinetics at 5% and 10% O2 concentration, while it followed the first‐order kinetics at 21% O2 concentration.
A facile strategy for the preparation of polypropylene sulfide nanoparticles for hydrophobic and base‐sensitive cargo
Authors: Chauhan Meenakshi , Basu Suparna Mercy , Yadava Sunil Kumar , Sarviya Nandini , Giri Jyotsnendu 
Published: October 2021

AbstractPolypropylene sulfide (PPS) as reactive oxygen species (ROS) responsive nanoparticles (NPs) have attained great interest for drug delivery applications in many diseases such as cancer, pulmonary, neurovascular, cardiovascular, and age‐related diseases. Despite great potential of PPS NPs as a nanocarrier, it remains relatively less explored for small molecules (drug) delivery, as the current method of PPS NPs synthesis involving strong bases like sodium methoxide (NaOMe) and 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) results in breakdown of base sensitive drugs or molecules. Herein, we are reporting a facile synthesis method for PPS NPs preparation with high drug loading capacity (five times higher than the reported synthesis method) of base‐sensitive cargos (Paclitaxel/Dil dye) within the PPS matrix and protection from possible breakdown of drug during synthesis. The NPs prepared via our method possess oxidative‐responsive release of drug, preservation of drug bioactivity, and excellent storage stability at room temperature or 4°C. PPS NPs system demonstrate biocompatibility and drug‐loaded NPs provide efficient anticancer activity against breast cancer cells. Our method of PPS NPs synthesis is suitable to prepare a delivery system with higher loading capacity of drug and small molecules for different biomedical applications.
1321+045: A compact steep‐spectrum radio source in a cool‐core galaxy cluster
Authors: O'Sullivan Ewan , Kunert‐Bajraszewska Magdalena , Siemiginowska Aneta , Burke Douglas J. , Combes Françoise , Salomé Philippe , Giacintucci Simona 
Published: October 2021

AbstractCluster‐central gigahertz peak and compact steep‐spectrum (CSS) sources offer an opportunity to study the earliest phases of active galactic nucleus (AGN) feedback, but few have yet been examined in detail. We present results from radio and X‐ray observations of 1321+045, a CSS source in a 4.4 keV cluster at . The cluster has a strongly cooling core, and disturbances from a minor cluster merger may have triggered a period of jet activity which formed the 16 kpc radio lobes ago. However, new very long baseline array (VLBA) imaging shows a ∼20 pc jet on a different projected axis, which is probably only a few hundred years old. We consider possible histories for the system, with either one or two periods of jet activity. While this single system is informative, a broader study of the youngest cluster‐central radio sources is desirable.
Is there more than one ratio bias? If so, why?
Authors: Bourdin David , Engin Ayşegül , Vetschera Rudolf 
Published: October 2021

AbstractThe ratio bias refers to decision makers' propensity to overestimate probabilities that are specified as ratios of large numbers in comparison to a ratio of smaller numbers (e.g., 9:100 vs. 1:10). To reconcile conflicting findings about this bias, we study such deviations in a more general setting allowing for deviations in both directions, irrational indifference, and inability to decide. We find that the predominant direction of deviations depends on the probabilities involved and that there is no uniform bias in favor of high numbers across all settings. Our findings indicate a strong negative impact of risk literacy on all such bias phenomena. We also test the relationship of the ratio bias to rational/experiential system theory and find that, contrary to the theoretical predictions, biased responses tend to take longer time than logically correct answers.
Assessment of the incidence and risk factors of early poststroke seizures in Lebanese patients
Authors: Mansour Sara , Youness Mahmoud , Cherri Sarah , Salameh Pascale , Hallit Souheil , Malaeb Diana , Hosseini Hassan 
Published: October 2021

AbstractBackgroundEarly seizures have been recognized as serious complications of ischemic strokes where the data are limited among Lebanese patients. This study aimed to assess the incidence and risk factors of early seizures postischemic stroke and to determine the effect of early seizures on functional outcome among Lebanese stroke patients.MethodsThis was a retrospective observational study conducted between January 2017 and March 2020 on patients with acute ischemic strokes at two tertiary hospitals in Lebanon. Data were collected from patients’ medical records at each site through a well‐designed data collection sheet. Early seizures were defined as seizures occurring within 7 days after acute stroke. Functional outcome was assessed at discharge, according to modified Rankin scale (mRS).ResultsOf 140 enrolled patients, early seizure developed in 12 patients (8.6%) with mean age of 68.42 ± 9.89 years and 8 (67%) were females. Independent risk factors for early seizure development were female gender and cortical involvement. Moreover, early seizure development was not associated with higher disability and mortality at hospital discharge.ConclusionThe findings of the study highlight that early seizures occurred more commonly in patients with cortical involvement and female gender. In addition, early seizures did not impair functional outcome in our study, however; further studies are needed to predict patients at risk of early seizure so that appropriate prevention and treatment strategies can be implemented promptly.
Interactive influences of emotion and extraversion on visual attention
Authors: Bendall Robert C. A. , Begley Shaunine , Thompson Catherine 
Published: October 2021

AbstractIntroductionEmotion has been shown to influence selective visual attention. However, studies in this field have revealed contradictory findings regarding the nature of this influence. One possible explanation for the variation in findings is that affective inter‐individual differences impact both attention and emotion and may therefore moderate any influence of emotion on attention. The current work is a novel investigation of the effects of induced emotional states and the traits of extraversion and neuroticism on visual attention. This allowed a direct investigation of any impact of extraversion and neuroticism on the way in which emotion influences attention.MethodsParticipants were induced into positive, neutral, and negative emotional states before completing a change detection flicker task in which they were required to locate a change to a real‐world scene as quickly and accurately as possible.ResultsParticipants scoring higher in extraversion were more accurate but slower at detecting changes. Importantly, this was particularly evident when induced into a negative emotional state compared to a neutral emotional state. Neuroticism had no impact on attention.ConclusionsThe current study provides evidence that extraversion can moderate the influence of negative emotion upon visual attention and may help to explain some of the contradictory findings in this research area. When considered independently, increased trait levels of extraversion were associated with improved change detection. Individuals higher in extraversion appear better equipped to regulate negative emotion compared to individuals lower in extraversion, supporting research linking extraversion to affective reactivity and models of psychopathology.
The efficacy of vitamin B6 as an adjunctive therapy to lithium in improving the symptoms of acute mania in patients with bipolar disorder, type 1; a double‐blind, randomized, placebo‐controlled, clinical trial
Authors: Badrfam Rahim , Mostafavi Seyed‐Ali , Khaleghi Ali , Akhondzadeh Shahin , Zandifar Atefeh , Farid Malihe , Mohammadian Khonsari Nami , Mohammadi Mohammad Reza 
Published: October 2021

AbstractObjectiveVitamin B6 has been linked to a variety of probable roles, including anti‐inflammatory, homocysteine‐lowering, serotonin‐regulating, and dopamine‐lowering. In this study, we investigated the possible effect of vitamin B6 on bipolar disorder in manic episode with psychotic feature in a placebo‐controlled double‐blind clinical trial in a psychiatric hospital.MethodsThis study was performed on 50 patients who were equally divided into two groups (each group included 25 patients) using 80 mg of vitamin B6 daily or placebo. At the beginning and end of the study, they were evaluated for lab tests, inflammatory biomarkers and level of blood homocysteine. Also, at the baseline and in weeks 2, 4, and 8, they were evaluated based on the anthropometric measurements, score obtained from the Young Mania Questionnaire, Mini‐Mental State Examination (MMSE), and the Pittsburgh Sleep Questionnaire.ResultsAccordingly, based on Yang Mania scoring scale, no significant difference was observed between the two groups receiving vitamin B6 and placebo (22.68 ± 5.39 vs. 21.80 ± 5.39 [p‐value = .51]). Based on MMSE, significant improvement in cognitive status was obtained in group placebo compared to vitamin B6 group (25.24 ± 1.96 vs. 24.40 ± 3.25, respectively [p‐value = .01]). At the Pittsburg scale (total, there was no statistically significant difference between the two groups receiving vitamin B6 and placebo (1.04 ± 0.20 vs. 0.48 ± 0.50 [p‐value = .23]). Additionally, no significant difference was observed between the two groups regarding the anthropometric status.ConclusionsAccording to this study, the daily dose of 80 mg of vitamin B6 for 8 weeks in patients with bipolar disorder in the manic episode with psychotic feature treated daily with lithium, was not associated with a significant improvement in mood status compared to the control–placebo group. It is recommended to perform similar studies in a multi‐center manner with a larger sample size and longer duration.
The impact of tourism on entrepreneurship in developing countries
Authors: Subramaniam Yogeeswari , Masron Tajul Ariffin 
Published: October 2021

AbstractAs an important factor of production, economist traditionally considers entrepreneurship as a key factor for encouraging economic growth, especially in developing countries. With tourism is one of the fastest growing economic sectors and closely linked to development of most developing countries, this study aims to examine the effect of tourism on entrepreneurship by using panel data of 56 developing countries for the period between 2010 and 2017. Using a panel data technique, namely the generalized method of moments (GMM) estimator, the results suggest that tourism play an important role in improving the level of entrepreneurship in developing countries, which are robust across different specification. Therefore, governments should aim to further develop the tourism industry to support a more sustainable entrepreneurship development in developing countries.
Evaluating the validity of brief prototype‐based informant ratings of triarchic psychopathy traits in prisoners
Authors: Lowman Kelsey L. , Patrick Christopher J. , Perkins Emily R. , Bottesi Gioia , Caruso Maria , Giulini Paolo , Sica Claudio 
Published: October 2021

AbstractThe validity of self‐report psychopathy assessment has been questioned, especially in forensic settings where clinical evaluations influence critical decision‐making (e.g., institutional placement, parole eligibility). Informant‐based assessment offers a potentially valuable supplement to self‐report but is challenging to acquire in under‐resourced forensic contexts. The current study evaluated, within an incarcerated sample (n = 322), the extent to which brief prototype‐based informant ratings of psychopathic traits as described by the triarchic model (boldness, meanness, disinhibition; Patrick et al., 2009) converge with self‐report trait scores and show incremental validity in predicting criterion measures. Self/informant convergence was robust for traits of boldness and disinhibition, but weaker for meanness. Informant‐rated traits showed incremental predictive validity over self‐report traits, both within and across assessment domains. These findings indicate that simple prototype‐based informant ratings of the triarchic traits can provide a useful supplement to self‐report in assessing psychopathy within forensic‐clinical settings.
Omalizumab for prevention of anaphylactic episodes in a patient with severe mosquito allergy
Authors: Meucci Elisa , Radice Anna , Fassio Filippo , Iorno Maria Loredana Chiara , Macchia Donatella 
Published: October 2021

AbstractAnaphylaxis after mosquito bite is rare, but life threatening. No approved preventive therapy is available to date, but omalizumab could be a promising therapeutic option for reducing risk and improving quality of life in these patients.
Fournier's gangrene after missed acute perforated appendicitis: A case report
Authors: Elahabadi Ismail , Bazmandegan Gholamreza , Salehi Hossein , Jafari Amin , Ahmadi Jafar , Kamaib Zahra 
Published: October 2021

AbstractFournier's gangrene (FG) is a rare progressive necrotizing fasciitis (NF) with high mortality rate. This case report describes a young patient with FG with no known history of disease or invasive therapeutic interventions.
Ressourceneffiziente Planung großflächiger Holz‐Glas‐Fassaden | Ökologische und energetische Bewertung
Authors: Fadai Alireza , Stephan Daniel 
Published: October 2021

AbstractDie EU, die USA und China stellen heute die Hälfte des weltweiten Energiebedarfs. Um eine höhere Energieeffizienz zu erreichen, werden derzeit die Bauvorschriften in der EU und den USA verschärft. Die wachsende Bedeutung von großflächigen Glaselementen in moderner Architektur veranlasst die Untersuchung von möglichem Optimierungspotential vor allem in der Entwurfsphase. Die wesentliche Herausforderung besteht darin, diese mit größtmöglichem Energiesparpotential zu vereinen. Aus einer entsprechenden Kombination von unterschiedlichen Materialien kann eine gesteigerte Ressourceneffizienz der Gesamtkonstruktion resultieren. Zur Bewertung dieser Möglichkeit werden Holz‐Glas‐Fassaden konventionellen Fassaden gegenübergestellt. Dieser Vergleich erfolgt hinsichtlich der Materialwahl und anhand von daraus resultierenden thermisch dynamischen Gebäudesimulationen, sowie ökologischen Evaluierungen.Resource‐efficient planning of large‐scale timber‐glass facades | ecological and energetic evaluation. The EU, the USA and China account for half of global energy demand. In order to achieve higher energy efficiency, building regulations in the EU and the USA are currently being tightened. The growing importance of large‐scale glass elements in modern architecture leads to the investigation of possible optimization potential, especially in the design stage. The main challenge is to combine these with the greatest possible energy saving potential. An appropriate combination of different materials can result in increased resource‐efficiency of the overall design. To evaluate this possibility, the timber‐glass facades are compared with conventional facades. This comparison is made with regard to the choice of materials and the resulting thermal dynamic building simulations, as well as ecological evaluations.
Simulation von Verbundsicherheitsglas aus Einscheibensicherheitsglas im gebrochenen Zustand
Authors: Pauli Alexander , Kraus Michael , Drass Michael , Siebert Geralt 
Published: October 2021

AbstractDie numerische Behandlung des Resttragfähigkeitsverhaltens von Verbundgläsern (VG) stellt aktuell ein vielbeachtetes Thema dar, obwohl derzeit nur wenige Ansätze für eine zutreffende Abbildung des experimentell beobachteten Verhaltens existieren. Dieser Beitrag behandelt die Simulation des mechanischen Verhaltens von Verbundsicherheitsglas (VSG) aus Einscheibensicherheitsglas (ESG) und Etyhlenvinylacetat (EVA)‐Folien sowie deren experimentelle Datengrundlagen im gebrochenen Zustand. Dazu werden einerseits numerische Modellierungsstrategien und andererseits experimentelle Untersuchungen zur Kalibrierung des mechanischen Verhaltens von gebrochenem VSG aus EVA und ESG diskutiert.Simulation of laminated safety glass made of toughened safety glass in broken state. The numerical treatment of the residual load bearing capacity of laminated glass (LG) is currently a much‐noticed topic, although there are only a few approaches for an accurate representation of the experiments. This paper deals with the simulation of the mechanical behaviour of laminated safety glass (LSG) out of fully tempered glass (FTG) and Etyhlenvinylacetat (EVA)‐interlayer in its broken state. On the one hand numerical modelling strategies and on the other hand experimental investigations for the calibration of a mechanical model for broken laminated safety glass from EVA and FTG are discussed.
Einfluss von Polierscheiben auf die Oberflächenqualität der Glaskante
Authors: Bukieda Paulina , Lohr Katharina , Meiberg Jens , Weller Bernhard 
Published: October 2021

AbstractDie Glaskante stellt einen besonderen Bereich in der Glasscheibe dar. Der herstellungsbedingte Eingriff in das Material aus den Bearbeitungsschritten Zuschnitt und Schleifen verursacht Fehlstellen auf der Oberfläche, welche die Festigkeit des Glases mindern können. Untersuchungen zur Kantenfestigkeit haben gezeigt, dass ein überwiegender Anteil der Gläser im Bereich des Saums oder im Übergang zur Glaskantenoberfläche bricht. Durch eine gezielte Neuentwicklung von Polierscheiben für den Saumbereich sollen Fehlstellen auf der Saumoberfläche und im Übergangsbereich zur Glaskante abgemindert und somit die Kantenfestigkeit erhöht werden. Zudem können die optischen Eigenschaften des Saums verbessert werden, um eine hochtransparente Glaskante herzustellen. Im Rahmen eines Forschungsprojektes an der Technischen Universität Dresden werden die Auswirkungen von unterschiedlichen Saumpolierscheiben auf die Oberflächen von Floatgläsern untersucht. Mit mikroskopischen Analysen werden Fehlstellen charakterisiert und Bruchursachen lokalisiert. Auf Basis erster Ergebnisse der Oberflächenanalyse wird die Qualität der verwendeten Polierscheiben bewertet.Influence of the polishing wheels on the surface quality of glass edges. Glass edges appear to be a peculiar zone of the glass. The interference into the material during the cutting and grinding process causes defects and cracks at the edge surface. Those defects can reduce the strength of the whole glazing. Former studies show that a major part of the glass break has its fracture of origin on the surface of the chamfer or the transition from the chamfer into the edge surface. A special development of polishing wheels for the chamfer shall improve the chamfers quality and consequently increase the edge strength. In addition, the optical characteristics should be improved to reach a highly transparent glass edge. Within the scope of a research project at the Technische Universität Dresden, we examined the impact of various polishing wheels on the chamfer area of annealed glass. A microscopic analysis enables to detect and characterize typical defects of the finishing processes and locates the fracture of origin. First results of the microscopic analysis allow to value the polishing wheels.
Virtualisierung verfahrenstechnischer Prozesse – Experimentiertechnik in der Lehre
Authors: Frerich Sulamith C. 
Published: October 2021

AbstractIn diesem Beitrag stellt sich Juniorprofessorin Sulamith C. Frerich von der Ruhr‐Universität Bochum (RUB) vor. Sie gibt Einblick in aktuelle Forschungsfragen und zeigt, wie sie universitäre Aufgaben mit außeruniversitärer Forschung verbindet. Fachlich berichtet sie aus Kunststoffcharakterisierung und ‐verarbeitung sowie numerischer Simulation und Prozessoptimierung. Für die anwendungsnahe Kompositherstellung aus Polymeren und Wirkstoffen nennt sie zwei Beispiele und beschreibt, wie sie den Transfer gestaltet. Zusätzlich erläutert sie, wie Online‐Lehre in der Verfahrenstechnik funktioniert.