bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal analysis of nanofluid saturated in a semicircular hot enclosure cooled by a rotating half‐immersed active circular cylinder subject to a convective condition
Authors: Swdi Farah S. , Jabbar Mohammed Y. 
Published: August 2021

AbstractIn this study, the natural and mixed convections were numerically investigated using semicircular enclosures heated by an isotherm‐heat flux along a semicircular enclosure wall. The concentric conductive rotating cylinder was designed with a semicircular enclosure. The lower half‐cylindrical wall was immersed in nanofluid (Cu–water) that filled the enclosure, whereas the upper half‐cylindrical wall was subjected to ambient convection. The horizontal walls were thermally insulated. The Galerkin finite element process was used for the dimensionless governing equations of velocity and temperature and then modeled by COMSOL 5.5. The parameters were represented in the following ranges: radial aspect ratios, 0.4 ≤ r/R ≤ 0.8; thermal conductivity ratio, 1 ≤ Kr ≤ 10; angular rotational velocity, 0 ≤ Ω ≤ 1000; ambient convection heat transfer coefficient, 5 ≤  ≤ 20; and nanofluid concentration, 0 ≤ φ ≤ 0.05. The Prandtl number (Pr) and Rayleigh number (Ra) were taken as constants at Pr = 6.2 and Ra = 105. Results showed that the convection influence was prominent when the angular rotational velocity was increased, whereas the influence was minimal when the aspect ratio was increased. An inverse relation was found between heating and cooling thermal penetration depths with respect to angular rotational velocity for the thermal conductivity ratio and all aspect ratios. Our numerical work was compared with past research for validation. Findings indicate a strong agreement between the findings of the current research and those in the past studies.
microRNAs in human brucellosis: A promising therapeutic approach and biomarker for diagnosis and treatment
Authors: Kazemi Sima , Mirzaei Rasoul , Sholeh Mohammad , Karampoor Sajad , Keramat Fariba , Saidijam Massoud , Alikhani Mohammad Yousef 
Published: August 2021

AbstractIntroductionHuman brucellosis is a zoonotic bacterial disease with up to 500,000 new cases each year. The major evasion mechanisms from the host immune system by Brucella are restraint of complement pathway and Toll‐like receptors signaling pathways, interference with efficient antigen presentation to CD4‐positive T lymphocytes, selective subversion of autophagy pathways, inhibition of dendritic cell stimulation, inhibition of autophagolysosomal fusion, and macrophage apoptosis. Many molecular and cellular pathways contribute to brucellosis that microRNAs have a vital function in the immunopathogenesis of this disease. In this regard, these molecules apply for their roles by modulating various events like inflammatory reactions and immune defense. Recently, in the case of immunity to human brucellosis, it has been shown that microRNAs play an important role in immunity against these bacteria.Methods and ResultsIn this study, we tried to review the immune defense and immunopathogenesis of Brucella infection and highlight the current knowledge of the microRNAs in infected cells by Brucella pathogens. The recent findings suggest that the regulation of microRNAs expression is impaired during brucellosis infection, which may contribute to disease progression or inhibition by modulating immune responses against this pathogen.ConclusionsThe interplay between miRNAs and Brucella pathogens and the underlying process required comprehensive examination to unravel the novel therapeutic or diagnostic approaches.
Headache and distress during pregnancy
Authors: Ozdemir Kevser , Sahin Sevil , Sevimli Guler Dondu , Unsal Alaattin 
Published: August 2021

AbstractObjectiveTo determine the prevalence of headache, review variables believed to be associated, and assess distress levels in pregnant women.MethodsThis is a cross‐sectional study conducted on pregnant women who presented to a Training and Research Hospital in Sakarya, Turkey from June 1, 2020 to December 1, 2020. The study group consisted of 600 pregnant women who agreed to take part in the study. Chi‐squared test and logistic regression analysis were used to analyze the data. Statistical significance level was accepted as P value of 0.05 or less.ResultsThe ages of pregnant women ranged from 19 to 44 years with a mean age of 29.01 ± 5.27 years. Prevalence of headache during pregnancy was found to be 55.7% (n = 334). The number of pregnant women at of distress was found to be 144 (24.0%). There was no difference between women with and without headache and between severity of headache and prevalence of distress (P > 0.05 for each).ConclusionHeadache is an important health issue in pregnant women. There was no relationship between the presence and severity of headache and distress level.
Continued influence of misinformation in times of COVID‐19
Authors: van Huijstee Dian , Vermeulen Ivar , Kerkhof Peter , Droog Ellen 
Published: August 2021

Health‐related misinformation, especially in times of a global health crisis, can have severe negative consequences on public health. In the current studies, we investigated the persuasive impact of COVID‐19‐related misinformation, and whether the valence of the misinformation and recipients' degree of overconfidence affect this impact. In two pre‐registered experimental studies, participants (N = 403; N = 437) were exposed to either a positive or a negative news article describing a fictional hospital's high COVID‐19 recovery/mortality rates. Half of the participants subsequently received a correction. Attitudes towards the hospital were measured before and after exposure. Results of both studies showed that, as expected, corrections reduced the persuasive impact of misinformation. But whereas some persuasive impact remained for corrected negative misinformation (a continued influence effect), it reversed for corrected positive information, causing people to have more negative attitudes towards the hospital than before exposure to any information (a backfire effect). These results corroborate prior suggestions that continued influence effects are asymmetric: negative misinformation is harder to neutralise than positive misinformation. Participants' overconfidence degrees did not have a moderating role in misinformation effects. Even though corrections decrease the persuasive impact of health‐related misinformation, continued influence remains for negative misinformation.
Evaluating the evolution of philosophy of practice over postgraduate year 1 residency training
Authors: Schweiss Sarah K. , Hager Keri D. , Moon Jean Y. , Lounsbery Jody L. , Pestka Deborah L. 
Published: August 2021

AbstractIntroductionPhilosophy of practice (PoP) serves as the foundation for any patient care practice. It is a set of professional values and beliefs that guides a practitioner's actions and decisions in practice. The objective of this study was to evaluate if and how postgraduate year 1 (PGY‐1) residency training changed pharmacy residents' PoP.MethodsThis was a qualitative comparative analysis of PGY‐1 residents' PoP at the start vs the end of residency. In July 2019, 23 incoming ambulatory care PGY‐1 residents at the University of Minnesota were asked to articulate their PoPs. In April 2020, the same cohort was asked to revisit their PoPs and make any necessary revisions. Baseline PoPs were coded inductively to create a standard codebook. The codebook was applied to final PoPs to assess any changes or new codes that emerged.ResultsThree new codes emerged in the final PoPs: improving health of the community, educating the future generation of pharmacists, and professional advocacy and service. One of the largest differences that occurred was the frequency of the code “interprofessional team collaboration,” with only five residents including this in their baseline PoP compared with 16 in the final PoPs.ConclusionAfter 1 year of residency training, concepts such as interprofessional collaboration became more prevalent in residents' PoPs suggesting this may be a concept residents understand and appreciate more during residency. Additionally, the emergence of new codes, such as professional advocacy and service, may also reflect the professional identity development that occurs during residency.
The impact of differential lignin S/G ratios on mutagenicity and chicken embryonic toxicity
Authors: Zhang Xinwen , Levia Delphis F. , Ebikade Elvis Osamudiamhen , Chang Jeffrey , Vlachos Dionisios G. , Wu Changqing 
Published: August 2021

AbstractLignin and lignin‐based materials have received considerable attention in various fields due to their promise as sustainable feedstocks. Guaiacol (G) and syringol (S) are two primary monolignols that occur in different ratios for different plant species. As methoxyphenols, G and S have been targeted as atmospheric pollutants and their acute toxicity examined. However, there is a rare understanding of the toxicological properties on other endpoints and mixture effects of these monolignols. To fill this knowledge gap, our study investigated the impact of different S/G ratios (0.5, 1, and 2) and three lignin depolymerization samples from poplar, pine, and miscanthus species on mutagenicity and developmental toxicity. A multitiered method consisted of in silico simulation, in vitro Ames test, and in vivo chicken embryonic assay was employed. In the Ames test, syringol showed a sign of mutagenicity, whereas guaiacol did not, which agreed with the T.E.S.T. simulation. For three S and G mixture and lignin monomers, mutagenic activity was related to the proportion of syringol. In addition, both S and G showed developmental toxicity in the chicken embryonic assay and T.E.S.T. simulation, and guaiacol had a severe effect on lipid peroxidation. A similar trend and comparable developmental toxicity levels were detected for S and G mixtures and the three lignin depolymerized monomers. This study provides data and insights on the differential toxicity of varying S/G ratios for some important building blocks for bio‐based materials.
The expansion of CD14+ CD163+ subpopulation of monocytes and myeloid cells‐associated cytokine imbalance; candidate diagnostic biomarkers for celiac disease (CD)
Authors: Babania Omid , Mohammadi Saeed , Yaghoubi Esmat , Sohrabi Ahmad , Sadat Seyedhosseini Fakhri , Abdolahi Nafiseh , Yazdani Yaghoub 
Published: August 2021

AbstractCeliac disease (CD) is a chronic autoimmune disorder of small intestine against dietary gluten, among genetically predisposed individuals. Monocytes are versatile innate immune cells involved in the regulation of inflammation, and strongly involved in the intestinal immunity. However, the role of monocytes and their subtypes in CD is not well demonstrated.MethodsHere, we assessed the polarization of CD14+ monocytes by evaluating the M1 (CD16) and M2 (CD163) markers by flowcytometry, their soluble forms (sCD16 and sCD163), and the serum levels of IL‐10, IL‐12, TGF‐β, and TNF‐α cytokines using ELISA method, among 30 CD patients and 30 sex‐ and age‐matched healthy subjects (HS). We also analyzed the diagnostic values of all variables with significant differences.ResultsCD14+CD163+ monocytes were more frequent in CD patients than HS, while CD14+CD16+ monocytes were higher in HS. IL‐10and TNF‐α increased, and TGF‐β expression was decreased among CD patients. The sCD16 serum levels were elevated in patients, while sCD163 was higher but not significant among CD patients. CD163+/CD16+ and IL‐10/IL‐12 ratios were higher in CD patients, and TGFβ/TNFα ratio was higher in HS group. IL‐10, CD14+CD163+, TNF‐α, and IL‐10/IL‐12 ratios with the AUC over 0.7 were introduced as fair diagnostic markers. Our findings revealed that the M2 (CD14+CD163+) monocytes were more frequent among CD patients, and the cytokine balance was disturbed.ConclusionAccording to the significant functional diversities of monocyte subtypes between CD patients and HS group, these immunologic markers could be introduced as specific diagnostic biomarkers for CD.
PrepFlow: A Toolkit for Chemical Library Preparation and Management for Virtual Screening
Authors: Sisquellas Marion , Cecchini Marco 
Published: August 2021

AbstractIn the era of big data in Chemistry, the need for automated tools for virtual screening is compelling. Here, we present PrepFlow a toolkit for chemical library preparation and management. Starting from a list of compounds in SMILES or 2D molecular format, PrepFlow outputs a set of 3D molecular structures ready for use in subsequent drug discovery projects. Our development stands out for speed and robustness of execution, the efficient exploitation of HPC resources, and the implementation of an archiving strategy to save computer time, storage, and human intervention. Using a random selection of 600 compounds from available drug banks, we show that the preparation time per ligand on a desktop computer is 6.6 s. Thanks to these performances and the automatic parallelization on HPC, a chemical library of the size of ChEMBL (2 M) was prepared in around 3 days on a computer cluster. PrepFlow is freely distributed at the following link: https://ifm.chimie.unistra.fr/prepflow.
Measuring changes in alcohol use in Finland and Norway during the COVID‐19 pandemic: Comparison between data sources
Authors: Mäkelä Pia , Rossow Ingeborg , Moan Inger Synnøve , Bye Elin K. , Kilian Carolin , Raitasalo Kirsimarja , Allebeck Peter 
Published: August 2021

AbstractObjectivesTo examine (1) how a rapid data collection using a convenience sample fares in estimating change in alcohol consumption when compared to more conventional data sources, and (2) how alcohol consumption changed in Finland and Norway during the first months of the COVID‐19 pandemic.MethodsThree different types of data sources were used for the 2nd quarter of 2020 and 2019: sales statistics combined with data on unrecorded consumption; the rapid European Alcohol Use and COVID‐19 (ESAC) survey (Finland: n = 3800, Norway: n = 17,092); and conventional population surveys (Finland: n = 2345, Norway: n1 = 1328, n2 = 2189, n3 = 25,708). Survey measures of change were retrospective self‐reports.ResultsThe statistics indicate that alcohol consumption decreased in Finland by 9%, while little change was observed in Norway. In all surveys, reporting a decrease in alcohol use was more common than reporting an increase (ratios 2–2.6 in Finland, 1.3–2 in Norway). Compared to conventional surveys, in the ESAC survey fewer respondents reported no change and past‐year alcohol consumption was higher.ConclusionThe rapid survey using convenience sampling gave similar results on change in drinking as conventional surveys but higher past‐year drinking, suggesting self‐selection effects. Aspects of the pandemic driving alcohol consumption down were equally strong or stronger than those driving it up.
New indolo[1,2‐c]quinazolines for single‐crystal field‐effect transistor: A united experimental and theoretical studies
Authors: Puli Venkat Swamy , Kilaru Suresh , Bhongiri Yadagiri , Marri Sreenath Reddy , Tripathi Anuj , Chetti Prabhakar , Chatterjee Anindita , Vukoti Kiran Kumar , Pola Someshwar 
Published: August 2021

AbstractHere, we account the synthesis and characterization of a series of symmetrical fused heterocyclic aromatic hydrocarbons (HAHs) with an indolo[1,2‐c]quinazoline (IQ) as the core moiety. All the new HAHs IQ series were systematically investigated by using various spectroscopic methods. Furthermore, their photo‐physical properties were supported by density functional theory (DFT) and time‐dependent density functional theory (TDDFT) studies to support the experimental findings. The tetramethyl‐substituted indolo[1,2‐c]quinazoline (TMIQ) compound is shown to exhibit the shifted type of π–π stacking interactions, which render this series as a new semiconducting material. Single‐crystal‐based field‐effect transistor devices of TMIQ exhibited efficient charge transport behavior, giving a p‐channel field‐effect mobility of 0.25 cm2 V−1 s−1 with an on/off ratio of 5 × 105.
Implantable application of polymer‐based biosensors
Authors: Mei Xiangyuan , Ye Dekai , Zhang Fengjiao , Di Chong‐an 
Published: August 2021

AbstractImplantable sensors offer a great opportunity to extract physiological information from inside the body by real‐time monitoring. With the demand for personal healthcare and point‐of‐care treatment, a long‐term stable sensor of excellent mechanical and biological compatibility with human organs is urgently required. In contrast to rigid electronic devices using silicon or metallic materials, soft sensors are realized by flexible polymers in a simple way, endowing the implantable sensor with a tissue‐mimetic structure. In this article, we systematically review the development of implantable electronic sensors based on polymer materials. The unique properties of polymers are introduced, followed by their applications in implantable device fabrication. Strategies to integrate polymers with implantable sensors, encompassing device interface, geometry, and integration, are also summarized. Furthermore, biosensing applications of polymer‐based implantable devices are described, ranging from physical stimulus monitoring to biochemical analysis in vivo. Finally, we envision how advances in polymer materials may facilitate the development of intelligent sensors with broader applications in vivo.
Supportive care needs and utilization of bladder cancer patients undergoing radical cystectomy: A longitudinal study
Authors: Rammant Elke , Van Hecke Ann , Decaestecker Karel , Albersen Maarten , Joniau Steven , Everaerts Wouter , Jansen Femke , Mohamed Nihal E. , Colman Roos , Van Hemelrijck Mieke , Fonteyne Valérie 
Published: August 2021

AbstractObjectivesInvestigating supportive care (SC) needs and utilization/willingness to use SC services from diagnosis to one year after radical cystectomy in bladder cancer (BC) patients.Materials & MethodsA longitudinal cohort study was conducted in 90 BC patients at Ghent/Leuven University Hospitals between April 2017 and December 2020. The Supportive Care Needs Survey‐short form (SCNS‐SF34) was used before radical cystectomy, one, three, six and 12 months after radical cystectomy. Additional questions assessed utilization/willingness to use SC services. Linear mixed models were performed.ResultsThe majority of BC patients report at least one moderate or high SC need at diagnosis (82%), month 1 (84%), month 3 (86%), month 6 (64%), and month 12 (60%). Significant decreases over time were seen for all domains (p < 0.001), except for sexuality (p = 0.275). From baseline to month 1, physical needs first significantly increased (p = 0.001) after which they decreased. Psychological (e.g. fears about the future) and informational (e.g. information on how to get better) needs were most common at baseline whereas physical (e.g. lack of energy) and informational needs were more common in the early postoperative phases. The majority of patients (ranging from 81% (month 1) to 91% (month 12)) did not make use of SC services and the majority of the patients (ranging from 81% (month 1) to 88% (month 12)) did not wish to talk about their problems to someone. Those willing to talk to someone preferred their physician.ConclusionsA clear gap exists between the large proportion of SC needs experienced by BC patients undergoing radical cystectomy and the low use of SC services.
Encouragement of subgroup assessment by the FDA
Authors: Temple Robert 
Published: August 2021

AbstractResponses to a drug treatment can differ among subgroups of the population, including demographic subgroups, groups with different disease characteristics, and groups with different metabolic or excretory functions. The differences can be pharmacokinetic (PK) or pharmacodynamic (PD) affecting toxicity or effectiveness. In recent years wide availability of drug blood level data, including metabolite data, has made PK differences in subgroups very readily detectable, but PD differences are more difficult to detect and need to be carefully examined by assessment of effectiveness and toxicity in demographic and other subgroups, as illustrated by the forest plots examining multiple subgroups typically presented for cardiovascular outcome studies. Such examinations and presentations would probably be more broadly useful and informative if used to examine pooled outcome and toxicity data for symptomatic treatments.
A comparative review of 50 analytical representation of potential energy interaction for diatomic systems: 100 years of history
Authors: Araújo Judith P. , Ballester Maikel Y. 
Published: August 2021

AbstractInteratomic potentials laid at the heart of molecular physics. They are a bridge between the spectroscopic and structural properties of molecular systems. In this paper, a century‐old review from 1920 to 2020, of functional forms used to analytically represent potential energy as a function of interatomic distance for diatomic systems is presented. With such a purpose 50 functions were selected. For all of them, motivation and the main mathematical features are discussed. Our goal is to provide a chronological pathway to the reader, even with little knowledge on the subject, to understand how to calculate each parameter that composes the interatomic potentials, as well as obtain spectroscopic constants from them. Comparative evaluation for the N2, CO, and HeH+ systems in their ground electronic states are also presented.
Effects of Dry Heat Treatment on Characteristics of Hydrophobically Modified Rice Starch and its Emulsification in Pickering Emulsion
Authors: Gong Hui , Song Xiaoyan , Zhang Jian , Zhang Bei , Zhu Wei 
Published: August 2021

AbstractThe effects of electric dry heat (EDH) and roast dry heat (RDH) on characteristics of octenyl succinic anhydride modified rice starches are investigated. The oil‐in‐water Pickering emulsions are prepared using EDH and RDH starch particles as stabilizers, the stability and interfacial structure of emulsions are evaluated. The results from scanning electron microscopy and Fourier transform infrared spectroscopy demonstrate that rice starches remain in granule structure, and no new absorption peaks are detected after heat treatments. The results of differential scanning calorimeter revealed that gelatinization temperatures (TO, TP, TC), and enthalpy (ΔHgel) have significant reductions after heat treatment (p < 0.05). The starches remain an A‐type crystallite with increased in vitro digestibility, however the relative crystallinity decreases from 26.73% to 21.74%. The emulsions stabilized by starches of RDH treatments at 180 °C for 40 and 60 min have the maximum cream volumes, while the emulsions stabilized by EDH starches have no obvious effects. Confocal laser scanning microscopy indicates that the multiple‐modified starch particles adsorb at the oil–water interface and present a mechanical barrier to prevent droplets from merging, thus increasing the emulsion stability. The dry heat treatments coupling with hydrophobic modification may be a promising technique to produce starch‐based Pickering stabilizers.
Lectotypification of the Linnaean name Dianthus virgineus (Caryophyllaceae) and its taxonomic consequences
Authors: Domina Gianniantonio , Astuti Giovanni , Barone Giulio , Gargano Domenico , Minuto Luigi , Varaldo Lucia , Peruzzi Lorenzo 
Published: August 2021

AbstractA lectotype is designated for the name Dianthus virgineus. The relationships between D. virgineus, D. caryophyllus var. caryophyllus, and D. caryophyllus var. inodorus are analyzed. Dianthus virgineus is the oldest available name that applies to a species complex that is often referred to as D. sylvestris or a broad circumscription of the cultivated ornamental D. caryophyllus. The taxonomic consequences are discussed, and the need for further studies is highlighted.