bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental study and numerical modeling of mixing by air injection in yield stress fluids using the OpenFOAM software
Authors: Hojeij Ali , Jossic Laurent , Séchet Philippe , Bonamy Cyrille , Magnin Albert , Hattou Stéphane 
Published: September 2021

AbstractMixing by gas injection is an operation used in industrial processes such as wastewater treatment, metallurgy, or methanization in which pressurized gas is injected into a fluid in order to reduce concentrations and temperatures gradients. This study demonstrates how the CFD toolbox OpenFOAM can be used to simulate such flows. Experimental measurements and observations have been performed on a pilot‐scale reactor where pressurized air is injected in a yield stress fluid. The volume of fluid method and an adaptive mesh with refinement at the interface have been used to track the gas inclusions. The numerical model accuracy has been assessed by comparing experimental and numerical results related to the bubble's frequency, dimensions, and rising velocities as well as the fluid recirculation, yielded, and unyielded regions in the tank. The influence of injection parameters such as the injection flow rate and the fluid rheological parameters has been quantified.
Evaluation of crystallinity in carbon fiber‐reinforced poly(ether ether ketone) by using infrared low frequency Raman spectroscopy
Authors: Yamaguchi Makoto , Kobayasi Shoko , Numata Tomoko , Kamihara Nobuyuki , Shimda Toshihiro , Jikei Mitsutoshi , Muraoka Mikio , Barnsley Jonathan E. , Fraser‐Miller Sara J. , Gordon Keith C. 
Published: September 2021

AbstractThe degree of crystallinity of poly(ether ether ketone) (PEEK) in carbon fiber reinforced composites were evaluated by using infrared low frequency Raman spectroscopy. Reference PEEK samples with varying crystallinity which are evaluated using wide‐angle X‐ray diffraction (WAXRD) were prepared. These samples were used to create a calibration curve for crystallinity using low frequency Raman spectroscopy. The WAXRD and low frequency Raman methods directly correlated. Carbon fiber reinforced PEEK samples with different cooling rates were prepared and the crystallinity was determined by using low frequency Raman spectrosopy. The crystallinity of the air‐cooled sample, water‐cooled sample, contact with metal plate and water‐cooled sample are 36%, 33%, and 17%, respectively.
Notifiable diseases: Testing and treating every case to get ahead of the curve
Authors: Lamy Marie , Chebbi Amita , Datta Rittika , Hein Phone Si , Mercado Chris Erwin G. , Mellor Steve , Qi Gao , Clark Geoff 
Published: September 2021

AbstractThis article explains how making a disease notifiable by law is a core component of a robust and well‐functioning health system. Mechanisms to rapidly detect and report existing or emerging infectious diseases in a timely manner are key to disease control and elimination. Using malaria in Asia‐Pacific as a case in point, we explore different policy considerations involved in making malaria a notifiable disease. These include the timing of legislative changes at different stages of elimination, investing in adequate infrastructure for a robust surveillance system that can support targeted interventions, and the importance of involving all sectors in the delivery of malaria services to detect, report and respond to every case. The article explains how frameworks to report on notifiable diseases, in this case malaria, contribute to improved regional health security.
Developing a scaffold for urease inhibition based on benzothiazoles: Synthesis, docking analysis, and therapeutic potential
Authors: Özil Musa , Tuzcuoğlu Özge , Emirik Mustafa , Baltaş Nimet 
Published: September 2021

AbstractThe synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported. The title compounds in the two series, namely, 2‐({5‐[(benzothiazol‐2‐ylthio)methyl]‐1,3,4‐oxadiazol‐2‐yl}thio)‐1‐(4‐substituted‐phenyl)ethan‐1‐one and 2‐(benzothiazol‐2‐ylthio)‐1‐(4‐substituted‐phenyl)ethan‐1‐one oxime, were synthesized by the reaction of benzo[d]thiazole‐2‐thiol with different kinds of intermediates in several steps using both conventional and microwave techniques. All compounds were found to have an excellent degree of urease‐inhibitory potential ranging between 16.16 ± 0.54 and 105.32 ± 2.10 µM when compared with the standard inhibitor acetohydroxamic acid with IC50 = 320.70 ± 4.24 µM. The structure–activity relationship was established in detail. The binding interactions of the compounds with the enzyme were confirmed through molecular docking. Further, 100 ‐ns molecular dynamics simulations were performed to investigate the stability and structural perturbations experienced by the most potent compound over the urease active site.
Curriculum of gross anatomy education in Korean dental hygiene programs: Perceptions of clinical dental hygienists
Authors: Kim Da‐Hye , Kim Soojeong 
Published: September 2021

AbstractIt is essential for dental hygienists to have basic knowledge of gross anatomy to provide efficient treatment. However, gross anatomy course is relatively neglected due to their disparity from actual clinical dental practice. This study aimed to propose an effective dental hygiene gross anatomy curriculum that reflects the opinions of professional clinical dental hygienists. The study had an online‐based cross‐sectional design and the survey was distributed to clinical dental hygienists via social networks (n = 200). The questionnaire consisted of questions on the utilization of anatomical knowledge in clinical practice, opinions on the contents and methods of gross anatomy education, and general characteristics. The present study found that 186 (93%) used anatomical knowledge at an above‐average level. Qualitative analysis indicated that dental implant surgery, radiography, and extraction were the clinical procedures that required the most anatomical knowledge. The clinical dental hygienists answered that the most‐necessary knowledge is that of the mandibular nerve, followed by that on the temporomandibular joint, mandible, maxilla, maxillary nerve, and masticatory muscle. The methods proposed to improve gross anatomy education were (in decreasing order of importance) using videos or photographs (X‐rays, CT, MRI, etc.), integrating education with clinical subjects, and using a three‐dimensional visualization program. Higher education levels of respondents have increased their tendency to believe that the contents and methods of the presented education were necessary. Dental hygienists who utilized anatomical knowledge more often tended to be had a greater appreciation of the necessity of all educational contents and methods.
The association between COVID‐19, personal wellbeing, depression, and suicide risk factors in Australian autistic adults
Authors: Hedley Darren , Hayward Susan M. , Denney Kathleen , Uljarević Mirko , Bury Simon , Sahin Ensu , Brown Claire M. , Clapperton Angela , Dissanayake Cheryl , Robinson Jo , Trollor Julian , Stokes Mark A. 
Published: September 2021

AbstractThe COVID‐19 pandemic has had a significant impact on the mental health and wellbeing of the world's population, with particularly negative effects on vulnerable populations, including autistic people. Although some consensus regarding specific impact on aspects of wellbeing and mental health in autism is starting to emerge, it is unclear whether the pandemic has increased suicide risk. The goals of this study were to examine (a) potential associations between COVID‐19 impact and depression, personal wellbeing, and suicide risk factors in Australian autistic adults and (b) age and gender effects. The COVID‐19 Impact Scale (CIS), Personal Wellbeing Index, Patient Health Questionnaire, and the Suicide Behavior Questionnaire, Revised (SBQ‐R), were administered to 111 autistic adults aged 20 to 71 years during the second wave of the COVID‐19 pandemic in Australia. COVID‐19 impact showed small associations with poorer personal wellbeing (r = −0.224, p = 0.023, [−0.409, −0.016]) and higher depressive symptoms (r = 0.268, p = 0.006, [0.056, 0.445]) and was not associated with the SBQ‐R suicide risk score (r = 0.081, p = 0.418, [−0.118, 0.264). No significant effects were identified for age. Although model results were similar for women and men, the strength of the associations between personal wellbeing and depression (z = −2.16, p = 0.015), and depression and SBQ‐R suicide risk (z = 1.961, p = 0.025), were stronger in women than in men. Qualitative analysis of an open response question from the CIS suggested that the pandemic had both positive and negative impacts on participants. The COVID‐19 pandemic has had a large impact on the mental health and wellbeing of the world's population, particularly vulnerable populations such as autistic people. It is not known if these impacts on mental health and wellbeing have increased suicide risk. Our findings suggest that the impact of the COVID‐19 pandemic may be associated with poorer wellbeing and higher depression, but is not associated with suicide risk. Overall, autistic people reported both positive and negative impacts of the pandemic on their lives.
Electronic properties and reactivity patterns of high‐valent metal‐oxo species of Mn, Fe, Co, and Ni
Authors: Li Xiao‐Xi , Cho Kyung‐Bin , Nam Wonwoo 
Published: September 2021

AbstractDensity functional theory (DFT) calculations were performed for a series of significant terminal high‐valent metal‐oxo complexes, where the metals are Mn, Fe, Co, and Ni, to reveal their electronic property and reactivity patterns toward the inert CH bond activation. We found that as the metal center changes from Mn to Ni, the bond strength of metal‐oxo decreases while the oxyl character of the oxygen increases, which suggests an increase in the hydrogen‐abstraction reactivity. This prediction was further strengthened by theoretical reactivity studies, that is, the reactivities of these four metal‐oxo species toward inert CH bond followed an order of MnO ≈ FeO  ≪ CoO < NiO. At the orbital level, it was found that three different electron transfer mechanisms were active among these four species. Thus, this study would provide an explanation and intuitive clues for chemists to understand the nature of the high‐valent late transition metal‐oxo species.
A comprehensive framework and tool for supporting progressive learning of software development in an academic learning environment
Authors: Arora Ritu , Maurya Arun M. , Sharma Yashvardhan , Kannan Manoj 
Published: September 2021

AbstractThe use of technology‐enabled environments to facilitate online education has increasingly gained importance to promote learning. Tools like learning management systems, virtual laboratory platforms, online monitoring, and mentoring tools, all form a concrete technology bed for augmenting online education. However, successful use of these segregated tools is possible only through the implementation of a structured process or framework of usage of these tools for learning. In this paper, we propose a comprehensive framework for supporting progressive learning of software development by students. This framework provides guidelines for structuring individual and collaborative programming activities of students at various levels and is realized through the implementation of a tool named eGuru. This tool is used for managing, monitoring, mentoring, and facilitating collaborative programming activities of students and also provides a detailed user interface for facilitating the academic activities of teachers and lab instructors. Peers, alumni, and industry experts also play important roles in providing online mentoring using this tool. The execution structure proposed in the framework is effective not only for promoting online programming education but also creates a virtual environment analogous to the collaborative development environment existing in the software industry, and thus helps in preparing students for the future.
The effect of surgery on primary splenic lymphoma: A study based on SEER database
Authors: Pan Xiaotao , Ren Dongfeng , Li Ya , Zhao Jin 
Published: September 2021

AbstractBackgroundAlthough primary splenic lymphoma (PSL) is rare, it ranks first among splenic primary malignant cancers, and the incidence of lymphoma of spleen has gradually increased in recent years. However, the efficacy of surgery for PSL has not been clinically verified by large sample data, which has affected the formulation of relevant guidelines.AimTo assess whether surgery can enhance the prognosis PSL patients.MethodsExtracted the data of patients with PSL from The Surveillance, Epidemiology, and End Results (SEER) database, and divided the patients into surgery and non‐surgery group. Kaplan–Meier curves and log‐rank tests were used to compare the overall survival (OS) and cancer‐specific survival (CSS). The propensity score matching (PSM) was used to match the data, then compared the OS and CSS again. The COX proportional hazard regression model was used for univariate and multivariate analysis. Finally, we performed subgroup analysis in different Ahmann stages.ResultsA sum of 2207 patients with PSL were enrolled, of which 1062 (48.1%) patients received surgery, and 1145 (51.9%) patients did not undergo surgery. Overall, patients in the surgery group had better OS and CSS. After the propensity scores matching, surgery was not statistically significant in OS and CSS. In the subgroup analysis, surgery was a protective factor for the OS and CSS in Ahmann I/II. However, surgery was no statistical significance in OS and CSS in Ahmann III. In patients with Ahmann Ⅰ/Ⅱ SMZL, surgery was a protective factor for OS and CSS. In patients with Ahmann Ⅲ SMZL, surgery was also statistically significant of OS and CSS.ConclusionsSurgery can significantly improve the prognosis of patients with Ahmann Ⅰ/Ⅱ primary splenic lymphoma, but there was no survival difference in the Ahmann Ⅲ patients with or without surgery. For patients with SMZL, surgery was effective for improving OS and CSS.
Mirabegron improves the irritative symptoms caused by BCG immunotherapy after transurethral resection of bladder tumors
Authors: Sun Kai , Wang Di , Wu Gang , Ma Jian , Wang Tianqi , Wu Jitao , Wang Jipeng 
Published: September 2021

AbstractBackgroundThis study aims to explore the efficacy and safety of mirabegron in treating irritative symptoms induced by intravesical immunotherapy with Bacillus Calmette–Guerin (BCG) after transurethral resection of bladder tumors (TURBT).MethodsA total of 160 patients subjected to TURBT was randomly divided into the mirabegron group and placebo group with 80 patients in each group. Then, the patients were administered 25 mg mirabegron or placebo daily, starting the first day after BCG infusion. The first BCG perfusion was conducted at least 2 weeks after TURBT. The 3‐day bladder diaries were completed in all patients, 1 day before BCG perfusion, and on the 1st, 6th, and 13th days after the first BCG perfusion. Overactive bladder symptom scores were completed 1 day before BCG perfusion, and on the 6th and 13th days after the first BCG perfusion.ResultsSymptom scores of bladder hyperactivity were significantly different between the two groups (p < 0.001). Also, the frequency of nocturia, pollakiuria, micturition urgency, urinary incontinence and was significantly lower in group 1 than that in group two (p < 0.05).ConclusionOur findings demonstrate that mirabegron is a valuable clinical drug for the management of irritative symptoms after TURBT with subsequent intravesical BCG perfusion.
Halogen Bonding Propensity in Solution: Direct Observation and Computational Prediction
Authors: Bramlett Taylor A. , Matzger Adam J. 
Published: September 2021

AbstractHalogen‐bonded complexes are often designed by consideration of electrostatic potential (ESP) predictions. ESP predictions do not capture the myriad variables associated with halogen bond (XB) donors and acceptors; thus, binding interaction cannot be quantitatively predicted. Here, a discrepancy between predictions based on ESP energy difference (ΔVs) and computed gas phase binding energy (ΔEbind) motivated the experimental determination of the relative strength of halogen bonding interactions in solution by Raman spectroscopic observation of complexes formed from interacting five iodobenzene‐derived XB donors and four pyridine XB acceptors. Evaluation of ΔEbind coupled with absolutely‐localized molecular orbital energy decomposition analysis (ALMO‐EDA) deconvolutes halogen bonding energy contributions and reveals a prominent role for charge transfer (CT) interactions. Raman spectra reveal ΔEbind accurately predicts stronger interactions within iodopentafluorobenzene (IPFB) complexes than with 1‐iodo‐3,5‐dinitrobenzene (IDNB) complexes even though IPFB has similar electrostatics to IDNB and contains a smaller σ‐hole.
Mechanistic Studies on the Hexadecafluorophthalocyanine–Iron‐Catalyzed Wacker‐Type Oxidation of Olefins to Ketones**
Authors: Puls Florian , Seewald Felix , Grinenko Vadim , Klauß Hans‐Henning , Knölker Hans‐Joachim 
Published: September 2021

AbstractThe hexadecafluorophthalocyanine–iron complex FePcF16 was recently shown to convert olefins into ketones in the presence of stoichiometric amounts of triethylsilane in ethanol at room temperature under an oxygen atmosphere. Herein, we describe an extensive mechanistic investigation for the conversion of 2‐vinylnaphthalene into 2‐acetylnaphthalene as model reaction. A variety of studies including deuterium‐ and 18O2‐labeling experiments, ESI‐MS, and 57Fe Mössbauer spectroscopy were performed to identify the intermediates involved in the catalytic cycle of the oxidation process. Finally, a detailed and well‐supported reaction mechanism for the FePcF16‐catalyzed Wacker‐type oxidation is proposed.
Fine needle aspiration and core needle biopsy of the spleen: A case series illustrating current practices and challenges
Authors: Neal Daniel , Robila Valentina , Chesney Alden , Sayeed Sadia 
Published: September 2021

AbstractIntroductionSplenic fine needle aspiration (FNA) and core needle biopsies (CNB) are rare specimen types, potentially avoided due to clinical concern for hemorrhagic complications. The safety and utility of splenic FNA, the role of rapid onsite evaluation (ROSE), as well as the diagnostic utility of CNB versus FNA have not been recently reviewed.Materials and methodsA 10‐year retrospective review was performed of percutaneous image‐guided FNA and CNB of the spleen. Clinical indications, outcomes, ROSE findings, and final diagnoses were reviewed and correlated.ResultsForty‐four specimens from 39 patients were identified. The commonest indication for biopsy was a radiographic mass found during assessment for patient complaint (45%, 20/44), evaluation for malignancy (primary or metastatic) (39%, 17/44), and incidentally (16%, 7/44). Malignant diagnoses were rendered in 10 cases, 80% hematolymphoid and 20% nonhematolymphoid. Thirty‐one cases were nonneoplastic and identified as infectious/inflammatory processes 39%, cysts 10%, vascular lesions 13%, benign splenic elements 22%, accessory or atrophic spleen 10%, and extramedullary hematopoiesis 6%. The nondiagnostic rate was 7%. Cases with subsequent splenectomy showed 100% specificity and 86% sensitivity. The concordance of ROSE and final interpretation was 90% within the neoplastic category. Finally, the significant complication rate was 6.8% with no bias to occurrence following FNA or CNB.ConclusionsThis series affirms the safety and efficacy of splenic FNA and CNB by complication rates comparable to prior studies and high rate of concordance. The diagnostic accuracy may be further improved by ROSE, and CNB in cases reliant on staining and tissue architecture.
Phylogenetic and morphological influence on habitat choice in moisture‐harvesting horned lizards (Phrynosoma spp.)
Authors: Joel Anna‐Christin , Linde Jenice R. N. , Comanns Philipp , Emonts Caroline , Weissbach Margret , Flecks Morris , Rödder Dennis 
Published: September 2021

AbstractIn previous studies, the superhydrophilic skin of moisture‐harvesting lizards has been linked to the morphological traits of the lizards’ integument, that is, the occurrence of honeycomb‐shaped microstructures. Interestingly, these structures can also cover the skin of lizards inhabiting wet habitats. We therefore tested the influence of the microstructures’ main features on the habitat choice and wettability in the genus Phrynosoma. The genus Phrynosoma comprises moisture‐harvesting species as well as nonspecialists. Lizards of this genus inhabit large areas of North America with diverse climatic conditions. Remarkably, the differences in the manifestation of microstructures are just as versatile as their surroundings. The phylogeny of the lizards as well as the depth of their ventral microstructures, though independent of each other, correlated with the precipitation in their respective habitat. All other morphological traits, as well as the skin's wettability itself, could not predict the habitat of Phrynosoma species. Hence, it is unlikely that the microstructure influences the wettability, at least directly. Hence, we presume an indirect influence for the following reasons: (a) As the ventral side cannot get wet by rain, but the belly could easily interact with a wet surface, the microstructure might facilitate water absorption from wet soil following precipitation. (b) We found the number of dorsal microstructures to be linked to the occurrence of silt in the habitat. In our study, we observed scales being heavily contaminated, most likely with a mixture of dead skin (after shedding) and silt. As many lizards burrow themselves or even shovel sand onto their backs, deploying the substrate might be a mechanism to increase the skin's wettability.
The cognitive cost of closeness: Interpersonal closeness reduces accuracy and slows down decision‐making
Authors: Uğurlar Pınar , Sümer Nebi , Posten Ann‐Christin 
Published: September 2021

AbstractInterpersonal closeness increases the overlap between mental representations of the self and the other, thus rendering it more difficult to differentiate between self‐ and other‐related information. We suggest that closeness challenges computational capacity during decision‐making when the decision requires a differentiation between self‐ and other‐related information. Correlational Study 1 showed that when participants imagined engaging in a two‐person economic problem‐solving task with another person, their cognitive performance decreased with increased levels of closeness felt toward their counterpart. Three experiments showed that when participants engaged in the problem‐solving task with a close (vs. a distant) other, they tended to recall the correct solutions less (Study 2), used more time to find the solution (Study 3) and gave less accurate responses under time pressure (Study 4). These four studies are the first to jointly demonstrate that closeness influences interpersonal decision processes by being cognitively more costly.