bluuebunny/crossref_metadata_2025_split huggingface dataset:
QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2
Authors: Alves Vinicius M. , Bobrowski Tesia , Melo‐Filho Cleber C. , Korn Daniel , Auerbach Scott , Schmitt Charles , Muratov Eugene N. , Tropsha Alexander 
Published: July 2020

AbstractThe main protease (Mpro) of the SARS‐CoV‐2 has been proposed as one of the major drug targets for COVID‐19. We have identified the experimental data on the inhibitory activity of compounds tested against the closely related (96 % sequence identity, 100 % active site conservation) Mpro of SARS‐CoV. We developed QSAR models of these inhibitors and employed these models for virtual screening of all drugs in the DrugBank database. Similarity searching and molecular docking were explored in parallel, but docking failed to correctly discriminate between experimentally active and inactive compounds, so it was not relied upon for prospective virtual screening. Forty‐two compounds were identified by our models as consensus computational hits. Subsequent to our computational studies, NCATS reported the results of experimental screening of their drug collection in SARS‐CoV‐2 cytopathic effect assay (https://opendata.ncats.nih.gov/covid19/). Coincidentally, NCATS tested 11 of our 42 hits, and three of them, cenicriviroc (AC50 of 8.9 μM), proglumetacin (tested twice independently, with AC50 of 8.9 μM and 12.5 μM), and sufugolix (AC50 12.6 μM), were shown to be active. These observations support the value of our modeling approaches and models for guiding the experimental investigations of putative anti‐COVID‐19 drug candidates. All data and models used in this study are publicly available via Supplementary Materials, GitHub (https://github.com/alvesvm/sars‐cov‐mpro), and Chembench web portal (https://chembench.mml.unc.edu/).
Compact high bandwidth dimension ratio steering‐shaped super wideband antenna for future wireless communication applications
Authors: Alluri Srinivasarao , Rangaswamy Nakkeeran 
Published: July 2020

AbstractIn this article, a compact super wideband (SWB) high bandwidth dimension ratio (BDR) steering‐shaped antenna is proposed for future wireless communication applications. The proposed antenna consists of a linearly tapered microstrip‐fed circular ring with four elliptical spokes to connect with a central circular disk to form a steering‐shaped radiating patch and a rounded cornered notch‐loaded rectangular partial ground. The experimental results demonstrate a SWB from 2.3 to 34.8 GHz with a ratio bandwidth (RBW) of 15.13:1 and percentage bandwidth of 175.2% for |S11| ≤ −10 dB that are in good agreement with simulation results. The overall size of the proposed antenna is 35 × 35 × 1.6 mm3 with a BDR of 2403.3. The simulated average peak gain of the antenna is 4.76 dBi. Due to the compact size and good radiation properties over a wide bandwidth, the designed antenna is suitable for civilian and military wireless applications.
Anagliptin, a dipeptidyl peptidase‐4 inhibitor, improved bladder function and hemodynamics in rats with bilateral internal iliac artery ligation
Authors: Hotta Yuji , Takahashi Sena , Tokoro Misato , Naiki‐Ito Aya , Maeda Kotomi , Kawata Ryoya , Kataoka Tomoya , Ota Yuya , Hamakawa Takashi , Takahashi Satoru , Yasui Takahiro , Kimura Kazunori 
Published: July 2020

AbstractAimsTo investigate the effect of anagliptin (Ana), a dipeptidyl peptidase‐4 (DPP‐4) inhibitor, on acute ischemia‐induced bladder dysfunction in rats.MethodsEight‐week‐old female Wistar‐ST rats were randomly assigned into four groups: (a) sham; (b) ligation (Lig); (c) Lig + Ana; and (d) Lig + Liraglutide (a glucagon‐like peptide‐1 [GLP‐1] receptor agonist; Lira). Rats in the Lig, Lig + Ana, and Lig + Lira groups underwent ligature of the bilateral internal iliac arteries. Ana was orally administered mixed with the CE‐2 diet. Lira was subcutaneously administered once a day. Blood glucose levels, plasma dipeptidyl peptidase 4 (DPP‐4) activity, GLP‐1 levels, and bladder function were measured in all groups. Bladder blood flow was measured in the sham, Lig, and Lig + Ana groups, 4 weeks postsurgery.ResultsNo differences in blood glucose levels among the groups were observed. DPP‐4 activity decreased in the Lig + Ana group (P < .01). GLP‐1 levels in the Lig + Ana and Lig + Lira groups were higher than those in the sham and Lig groups (P < .01). Intercontraction intervals (ICIs) were longer in the Lig and Lig + Lira groups than in the sham group (P < .05), but similar to those observed in the Lig + Ana and sham groups. The Lig group exhibited reduced bladder blood flow relative to the sham group (P < .01); however, this measure improved in the Lig + Ana group (P < .01).ConclusionsAna administration improved ICIs and bladder blood flow after acute bladder ischemia through a GLP‐1 receptor‐independent signaling pathway, without altering the blood glucose levels. Therefore, Ana dosing might be useful to prevent ischemia‐induced bladder dysfunctions.
Injection of a microtextured polymer part surface: Influence of experimental parameters on the replication rate
Authors: Brulez Anne‐Catherine , Boschard Cédric , Larochette Mathieu , Benayoun Stéphane 
Published: July 2020

AbstractInjection manufacturing makes it possible to functionalize the surfaces of microtextured plastic parts without resorting to expensive post‐treatments. An instrumented mold was developed and microtextures were etched in the cavity with a femtosecond laser. A setting methodology only following in situ parameters, especially cavity pressurizing velocity was used to complete process control. The quality of the replication was quantified by the ratio, R, of microtexture part height replication over etched texture depth in the cavity. Different setting parameters such as injection velocity, Vf, mold temperature, TMo, and holding pressure, PHMax, were investigated on two different injection molding machine. A statistical analysis enabled a validation of the protocol while showing that the influence of the injection molding machine is nonsignificant. Furthermore, injection velocity appeared as a key parameter, it acts at the same time on the thermal aspect of the flow front, frozen‐layer fraction creation, but more importantly on the polymer's viscosity. An injection velocity threshold where above, mold temperature and holding pressure become secondary for better quality replication. This allowed as well to establish an empiric expression which makes it possible to calculate a pattern quality replication ratio, R, according to different parameters (Vf, TMo, PHMax).
Learning how to fine‐tune diradical properties by structure refinement
Authors: Dressler Justin J. , Haley Michael M. 
Published: July 2020

AbstractThe literature has seen a large increase in the number of new carbon‐based organic diradicals/diradicaloids in recent years. While a plethora of new and exciting structures have been created, there seemingly is a gap in knowledge of what fundamental electronic parameters are in play and thus how to rationally manipulate said parameters to “fine tune” the resultant diradical properties. Since 2014, the Haley group has been exploring methods to systematically alter the diradical character and the singlet‐triplet energy gap in said class of molecules. Our entrance into organic diradicals began with the π‐expansion of the benzene core of indeno[1,2‐b]fluorene up to the anthracene core of diindenoanthracene (DIAn). DIAn possessed moderate diradical character (y = 0.62) with a surprising level of stability (more than 2 months in solution). From this molecular blueprint for producing stable diradicals, the Haley lab has investigated how to fine tune diradical properties via structural changes in two key positions: (a) the length of the acene core and (b) thoughtful exchange of the outer arenes. With this strategy at our disposal, we can make large scale changes to the diradical character index and singlet‐triplet energy gap through changing the core length, and these properties can be further fine‐tuned in a series of closely related diradicals by careful exchange of the outer arenes utilizing the straightforward methods described in this mini‐review.
Association of patient weight status with plasma surfactant protein D, a biomarker of alveolar epithelial injury, in children with acute respiratory failure
Authors: Ward Shan L. , Dahmer Mary K. , Weeks Heidi M. , Sapru Anil , Quasney Michael W. , Curley Martha A. Q. , Liu Kathleen D. , Matthay Michael A. , Flori Heidi R. 
Published: July 2020

AbstractAims and ObjectivesAlveolar epithelial injury is a key determinant of acute respiratory failure (ARF) severity. Plasma surfactant protein D (SP‐D), a biomarker of alveolar epithelial injury, is lower in obese adults with ARF compared to their lean peers. We aimed to determine if children with ARF have similar variance in plasma SP‐D associated with their weight status on admission.MethodsPlasma SP‐D was measured on days 0, 1, or 2 in children (1‐18 years) with ARF enrolled in the genetic variation and biomarkers in children with acute lung injury and RESTORE studies. Weight classification (underweight, normal, overweight, and obese) was based on body mass index or weight‐for‐height z‐scores. Associations between weight group and SP‐D on each day were tested.ResultsInclusion criteria were met in 212 subjects, 24% were obese. There were no differences among weight groups in SP‐D levels on days 0 and 1. However, on day 2, there was a statistically significant linear trend for lower SP‐D levels as weight increased in both the univariate analysis (P = .02) and when adjusting for age, ethnicity, and diagnosis of pediatric acute respiratory distress syndrome (P = .05).ConclusionsObesity was associated with lower plasma SP‐D levels on day 2 of ARF. This finding may be explained by altered ARF pathogenesis in obese individuals or a reduced incidence of ventilator‐induced lung injury.
Clinical characteristics of COVID‐19 in children: A systematic review
Authors: Yasuhara Jun , Kuno Toshiki , Takagi Hisato , Sumitomo Naokata 
Published: July 2020

AbstractBackgroundLimited pediatric cases with coronavirus disease 2019 (COVID‐19) have been reported and the clinical profiles regarding COVID‐19 in children remain obscure. Our aim was to investigate the clinical characteristics of COVID‐19 in children.MethodsPUBMED and EMBASE were searched through 20 June 2020, for case reports and case series reporting pediatric COVID‐19 cases. Epidemiological, clinical, laboratory, and radiological data were collected and analyzed to compare by age.ResultsOur search identified 46 eligible case reports and case series. A total of 114 pediatric cases with COVID‐19 were included. The main clinical features were mild symptoms including fever (64%), cough (35%), and rhinorrhea (16%), or no symptoms (15%). Ground‐like opacities were common radiological findings (54%). The main laboratory findings were lymphopenia (33%) and elevated D‐dimer (52%) and C‐reactive protein (40%) levels. We identified 17 patients (15%) with multisystem inflammatory syndrome in children (MIS‐C) manifesting with symptoms overlapping with, but distinct from, Kawasaki disease, including gastrointestinal symptoms, left ventricular systolic dysfunction, shock, and marked elevated inflammatory biomarkers. Twelve percent of the patients including 65% of the MIS‐C cases required intensive care because of hypotension. No deaths were reported.ConclusionThis systematic review found that children with COVID‐19 are generally less severe or asymptomatic. However, infants might be seriously ill and older children might develop MIS‐C with severe illness. Early detection of children with mild symptoms or an asymptomatic state and early diagnosis of MIS‐C are mandatory for the management of COVID‐19 and the prevention of transmission and a severe inflammatory state.
MMRMvs joint modeling of longitudinal responses and time to study drug discontinuation in clinical trials using a “de jure” estimand
Authors: García‐Hernandez Alberto , Pérez Teresa , Pardo María del Carmen , Rizopoulos Dimitris 
Published: July 2020

SummaryIn pre‐marketing stages of drug development, trialists focus on drug efficacy rather than effectiveness, and observations collected after study drug discontinuation are excluded from the analysis, following the so‐called “de jure” estimand. In this setting, mixed models for repeated measures (MMRM) are becoming the benchmark to analyze normally distributed longitudinal responses. We have compared the performance of MMRM against shared parameter models (SPM) that jointly fit the longitudinal response and time to study drug discontinuation. Our simulations have first confirmed that MMRM lead to biased treatment effect estimates when longitudinal and event processes are associated via latent shared parameters, especially if the relationship is heterogeneous across treatment groups. SPM produced unbiased estimates with SPM data but faced two important obstacles: (a) SPM led to considerable bias when treatment discontinuation and response were associated with models of the time‐varying covariates (TVC) family, and (b) SPM were rather sensitive to the choice of the parameterization to model the relationship between longitudinal and time‐to‐event processes. When we simulated SPM data but used an incorrect equation to relate the random effects and time‐to‐event response, SPM led to a bigger bias than that seen with MMRM. We have finally evaluated a methodology to choose between MMRM and SPM consisting of expanding the MMRM density into the likelihood of both longitudinal and time‐to‐event data by plugging in the likelihood of a parametric TVC model. This approach allowed us to accurately select the optimal tool (MMRM or SPM) with sample sizes typical of phases 2b and 3.
Haemorrhagic bronchial casts causing complete ventilatory failure in a COVID‐19 patient on ECMO
Authors: Herath Samantha , Kruit Natalie , Eslick Adam , Giroy Nicole 
Published: July 2020

AbstractCoronavirus disease 2019 (COVID‐19) was identified as causing an unusual pneumonia in Wuhan in late 2019 and rapidly evolved to a pandemic. We present a case of an otherwise well 55‐year‐old female patient who had seemingly mild symptoms when she presented to the emergency department, and then rapidly deteriorated with progressive ventilatory deficit requiring intubation, ventilation, and extracorporeal membrane oxygenation (ECMO). We present the surprise finding of haemorrhagic endobronchial casts in the airways causing a complete ventilatory failure, managed by cryobiopsy and argon plasma coagulation (APC) leading to improved ventilation. To our knowledge, this is the only patient placed on ECMO for COVID‐19 infection in Australia and we would like to highlight the complications and challenges when trying to manage pulmonary haemorrhagic casts whilst on ECMO.
Fashion with heart: Sustainable fashion entrepreneurs, emotional labour and implications for a sustainable fashion system
Authors: Heinze Lisa 
Published: July 2020

AbstractRecent years have seen a rise in the number of fashion entrepreneurs who practise sustainable fashion design, including the use of environmentally friendly materials and transparent supply chains. However, mainstream fashion practises remain unsustainable and the pathway to a sustainable fashion system is not yet clear. Using qualitative data gathered from in‐depth interviews with sustainable fashion entrepreneurs, this article examines the practise of sustainable fashion design to understand the industry's transition towards sustainability. Building upon social practise theory, the management of emotional labour is identified as a key element in sustainable fashion design as indicated by the pro‐social motives of the entrepreneurs, financial precarity, entrepreneurial risk and the management of ethical complexities in sustainable fashion businesses. I argue that the element of managing emotional labour limits the reproduction potential of sustainable fashion design by other practitioners, thus slowing the transition to a sustainable fashion system.
Environmental collaboration, sustainable innovation, and small and medium‐sized enterprise growth in sub‐Saharan Africa: Evidence from Ghana
Authors: Adomako Samuel 
Published: July 2020

AbstractThis article investigates the impact of environmental collaboration on sustainable innovation and its impact on firm growth. The hypotheses are tested using data from 455 small and medium‐sized enterprises (SMEs) in Ghana. The findings from the study show that environmental collaboration positively relates to sustainable innovation and this relationship is moderated by environmental commitment. The results also show that sustainable innovation is positively associated with SME growth. Finally, the results suggest that sustainable innovation mediates the environmental collaboration‐SME growth relationship. The theoretical and practical implications of the study are discussed.
Analytic models in strategy, organizations, and management research: A guide for consumers
Authors: Hannah Douglas P. , Tidhar Ron , Eisenhardt Kathleen M. 
Published: July 2020

AbstractResearch summaryAnalytic models are a powerful approach for developing theory, yet are often poorly understood in the strategy and organizations community. Our goal is to enhance the influence of the method by clarifying for consumers of modeling research how to understand and appreciate analytic modeling and use modeling results to enhance their own research. Our primary contribution is a guide for reading analytic models. Using comparisons with other methods and exemplar analytic models, we explore key features as well as counterintuitive aspects and common misconceptions. We also add by illuminating strengths and weaknesses of analytic modeling relative to other theory‐building methods. Finally, we identify under‐exploited opportunities for pairing analytic models with complementary methods. Overall, our aim is enhancing the influence of analytic modeling by better‐informing consumers.Managerial summaryIn this paper, we explore the use of analytic (mathematical) models for developing strategy and organizations theory. Analytic modeling is common in related fields like economics but is often poorly understood among the broader of strategy and organizations community. Whereas existing resources on analytic modeling are geared towards modelers, our aim is to enhance understanding and appreciation of the method among potential consumers of modeling research. We offer three specific contributions in this regard. The first is a guide for reading analytic models, including key features, counterintuitive aspects, and common misconceptions. Second, we clarify the strengths and weaknesses of analytic modeling relative to other theory‐building methods. Finally, we discuss promising opportunities for pairing methods.
Children and Violence: Nurturing Social‐Emotional Development to Promote Mental Health
Authors: Malti Tina 
Published: July 2020

AbstractThe absence of violence against children is a fundamental children's right and a major milestone of civilized society. Similarly, reports on incidences of violence by children and youth, including severe cases with devastating consequences, speak to the need that the trauma of exposure to violence in childhood needs to be addressed. While violence and its risk factors are generally understood, what is less clear are the essential protective factors, how we can identify those as early as possible, and how we can use them to prevent and address the trauma of violence exposure in children and youth. In this report, I review pathways of child and youth violence through the lens of social‐emotional development as a central protective factor. Negative emotions of frustration and anger can underlie violence and aggression. Kind emotions, such as caring and our ability to connect with others emotionally, can serve as social‐emotional protective factors. A brief review of the central social‐emotional processes and their development is provided, including the human capacity to feel with others and express empathy, be emotionally aware and care about the effects of one's own actions on others, and be able to regulate the self and their emotions. Given the negative widespread and long‐term impact of exposure to violence, I describe research‐informed attempts to prevent violence exposure across development. Taking a humanistic, strength‐based perspective, the focus is on social‐emotional protective factors to address violence and nurture mental health in every child. I conclude with recommendations for practice and policy.
Assessment of groundwater quality in west metropolitan of Iran: An application of GIS and modeling
Authors: Seidmohammadi Abdolmotaleb , Sharifi Zahra , Faradmal Javad , Norouzi Hossein Ali , Rafati lida , Aleseyyed Seyyed Bahman , Asadi Fateme 
Published: July 2020

AbstractGroundwater resources in special have been applied for drinking water use versus surface water in Iran. However, this groundwater withdrawal has not been monitored for its level and quality. The present study aimed at determining the qualitative changes of Hamedan groundwater resources using the Kriging and analysis of quality assurance approach. To investigate the spatial variations of water quality in Hamedan, the following physical parameters were taken into consideration: total dissolved solid and electrical conductivity; chemical agents including calcium, magnesium, sodium adsorption ratio, iron, fluoride, sulfate, nitrate, phosphate; residual concentrations of pesticides in drinking water, including organochlorine (difenoconazole and permethrin), organophosphate (chlorpyrifos, diazinon, and malathion), and pyrethroids (fenvalerate); and heavy metals including cadmium, lead, arsenic, mercury, chromium, copper, and zinc. The geographic information system (ArcGIS10.4) was used to draw the isopotential maps of the resources. Schuler, Piper, and Durov diagrams as well as AqQA software were used to determine the water quality. According to Shuler's diagram, samples of drinking water in Hamedan vary from moderate to good in terms of quality. The concentration of physicochemical parameters in the north, northwest, and northeast of Hamedan was higher than the World Health Organization (WHO) guidelines. The residual concentrations of pesticides, arsenic, mercury, chromium, and cadmium were lower than the WHO guidelines. However, the concentrations of copper and zinc in northern Hamedan were higher than the guidelines. According to the geological map of the plains of Hamedan, it can be concluded that the source rock mainly consists of dolomite and igneous rock is made of alkaline‐basaltic feldspar. Variations in the chemical composition of drinking water in Hamedan depend on the amount of precipitation, soil, water harvesting, excessive use of fertilizers and human activities.