bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel 2‐oxo‐2‐phenylethoxy and benzyloxy diaryl urea hybrids as VEGFR‐2 inhibitors: Design, synthesis, and anticancer evaluation
Authors: Ghannam Iman A. Y. , El Kerdawy Ahmed M. , Mounier Marwa M. , Abo‐elfadl Mahmoud T. , Ali Islam H. 
Published: November 2022

AbstractTwo series of diaryl urea derivatives, 6a–k and 7a–n, were synthesized. All the newly synthesized compounds were tested against the NCI (US) cancer cell lines via SRB assay. The p‐chloro‐m‐trifluoromethyl phenyl derivatives 6e–g and 7e–g showed the most potent cytotoxic activity with a GI50 value range of 1.2–15.9 µM. Furthermore, the p‐fluorobenzyloxy diaryl urea derivative 7g revealed the most potent cytotoxicity against eight cancer cell lines in the MTT assay with IC50 values below 5 µM. Compounds 6a–k and 7a–n were tested for their vascular endothelial growth factor receptor‐2 (VEGFR‐2) kinase inhibitory activities. The p‐chloro‐m‐trifluoromethyl diaryl urea benzyloxy derivatives 7e–i and the p‐methoxydiaryl urea benzyloxy derivatives 7k, 7l, and 7n were found to be the most active compounds as VEGFR‐2 inhibitors in the benzyloxy series 7, with an IC50 range of 0.09–4.15 µM. In the 2‐oxo‐2‐phenylethoxy series 6, compounds 6e–g and 6i were reported with IC50 values of 0.94, 0.54, 2.71, and 4.81 µM, respectively. Moreover, compounds 7e and 7g induced apoptosis, causing cell cycle arrest in the G2/M phase. In addition, 7g showed an antimigratory effect in A‐375 cells and inhibited the VEGFR‐2 expression in an immunohistofluorescence study. Molecular docking simulations on VEGFR‐2 as well as ADME properties prediction were also performed.
Factors associated with nonsyndromic anotia and microtia, Texas, 1999–2014
Authors: Schraw Jeremy M. , Woodhouse J. P. , Benjamin Renata H. , Shumate Charles J. , Nguyen Joanne , Canfield Mark A. , Agopian A. J. , Lupo Philip J. 
Published: November 2022

AbstractBackgroundFew risk factors have been identified for nonsyndromic anotia/microtia (A/M).MethodsWe obtained data on cases and a reference population of all livebirths in Texas for 1999–2014 from the Texas Birth Defects Registry (TBDR) and Texas vital records. We estimated prevalence ratios (PRs) and 95% confidence intervals (CIs) for A/M (any, isolated, nonisolated, unilateral, and bilateral) using Poisson regression. We evaluated trends in prevalence rates using Joinpoint regression.ResultsWe identified 1,322 cases, of whom 982 (74.3%) had isolated and 1,175 (88.9%) had unilateral A/M. Prevalence was increased among males (PR: 1.3, 95% CI: 1.2–1.4), offspring of women with less than high school education (PR: 1.3, 95% CI: 1.1–1.5), diabetes (PR: 2.0, 95% CI: 1.6–2.4), or age 30–39 versus 20–29 years (PR: 1.2, 95% CI: 1.0–1.3). The prevalence was decreased among offspring of non‐Hispanic Black versus White women (PR: 0.6, 95% CI: 0.4–0.8) but increased among offspring of Hispanic women (PR: 2.9, 95% CI: 2.5–3.4) and non‐Hispanic women of other races (PR: 1.7, 95% CI: 1.3–2.3). We observed similar results among cases with isolated and unilateral A/M. Sex disparities were not evident for nonisolated or bilateral phenotypes, nor did birth prevalence differ between offspring of non‐Hispanic Black and non‐Hispanic White women. Maternal diabetes was more strongly associated with nonisolated (PR: 4.5, 95% CI: 3.2–6.4) and bilateral A/M (PR: 5.0, 95% CI: 3.3–7.7). Crude prevalence rates increased throughout the study period (annual percent change: 1.82).ConclusionWe identified differences in the prevalence of nonsyndromic A/M by maternal race/ethnicity, education, and age, which may be indicators of unidentified social/environmental risk factors.
A population‐based study of factors associated with systemic treatment in advanced prostate cancer decedents
Authors: Leigh Jennifer , Qureshi Danial , Sucha Ewa , Mahdavi Roshanak , Kushnir Igal , Lavallée Luke T. , Bosse Dominick , Webber Colleen , Tanuseputro Peter , Ong Michael 
Published: November 2022

AbstractIntroductionLife‐prolonging therapies (LPTs) are rapidly evolving for the treatment of advanced prostate cancer, although factors associated with real‐world uptake are not well characterized.MethodsIn this cohort of prostate‐cancer decedents, we analyzed factors associated with LPT access. Population‐level databases from Ontario, Canada identified patients 65 years or older with prostate cancer receiving androgen deprivation therapy and who died of prostate cancer between 2013 and 2017. Univariate and multivariable analyses assessed the association between baseline characteristics and receipt of LPT in the 2 years prior to death.ResultsOf 3575 patients who died of prostate cancer, 40.4% (n = 1443) received LPT, which comprised abiraterone (66.3%), docetaxel (50.3%), enzalutamide (17.2%), radium‐223 (10.0%), and/or cabazitaxel (3.5%). Use of LPT increased by year of death (2013: 22.7%, 2014: 31.8%, 2015: 41.8%, 2016: 49.1%, and 2017: 57.9%, p < 0.0001), driven by uptake of all agents except docetaxel. Adjusted odds of use were higher for patients seen at Regional Cancer Centers (OR: 1.8, 95% CI: 1.5–2.1) and who received prior prostate‐directed therapy (OR: 1.3, 95% CI: 1.0–1.5), but lower with advanced age (≥85: OR: 0.54, 95% CI:0.39–0.75), increased chronic conditions (≥6: OR: 0.62, 95% CI: 0.43–0.92), and long‐term care residency (OR: 0.38, 95% CI: 0.17–0.89). Income, stage at presentation, and distance to the cancer center were not associated with LPT uptake.ConclusionIn this cohort of prostate cancer‐decedents, real‐world uptake of novel prostate cancer therapies occurred at substantially higher rates for patients receiving care at Regional Cancer Centers, reinforcing the potential benefits for treatment access for patients referred to specialist centers.
Healthcare professionals' perceived barriers and facilitators of health behavior support provision: A qualitative study
Authors: Bouwman Eline , Pluijm Saskia M. F. , Stollman Iridi , Araujo‐Soares Vera , Blijlevens Nicole M. A. , Follin Cecilia , Falck Winther Jeanette , Hjorth Lars , Kepak Tomas , Kepakova Katerina , Kremer Leontien C. M. , Muraca Monica , van der Pal Helena J. H. , Schneider Carina , Uyttebroeck Anne , Vercruysse Gertrui , Skinner Roderick , Brown Morven C. , Hermens Rosella P. M. G. , Loonen Jacqueline J. ,   the PanCareFollowUp Consortium
Published: November 2022

AbstractBackgroundChildhood cancer survivors (CCSs) have an increased risk of developing chronic health conditions. Evidence suggests that poor health behaviors further increase health risks. Healthcare professionals (HCPs) involved in survivorship care have a key role in providing health behavior support (HBS) but can feel limited in their ability to do so. This study aims to explore European HCPs perceived facilitators and barriers to providing HBS to CCSs.MethodsFive focus groups with 30 HCPs from survivorship care clinics across Europe were conducted. Topic guides were informed by the Theoretical Domains Framework (TDF) to capture domains that may influence provision of HBS. Focus groups were analyzed with thematic analysis. Transcripts were inductively coded, after which axial coding was applied to organize codes into categories. Finally, categories were mapped onto the TDF domains.ResultsNine TDF domains were identified in the data. The most commonly reported TDF domains were “Knowledge”, “Skills”, and “Environmental context and resources”. HCPs indicated that their lack of knowledge of the association between late effects and health behaviors, besides time restrictions, were barriers to HBS. Facilitators for HBS included possession of skills needed to pass on health behavior information, good clinic organization, and an established network of HCPs.ConclusionsThis study identified education and training of HCPs as key opportunities to improve HBS. Survivorship care clinics should work towards establishing well‐integrated structured care with internal and external networks including HBS being part of routine care. Proper understanding of facilitators and barriers should lead to better survivorship care for CCSs.
Oral focal mucinosis in an adolescent: A rare entity
Authors: Tonkaboni Arghavan , Hafezi Motlagh Kimia , Derakhshan Samira 
Published: November 2022

AbstractOral focal mucinosis (OFM) is an extremely rare benign lesion of the oral cavity with unknown etiology, considered the oral counterpart of cutaneous focal mucinosis. It occurs mainly in women in the fourth and fifth decades of life. It has no characteristic features, and diagnosis depends on histological evaluation. Its pathogenesis is related to the excessive production of hyaluronic acid by fibroblasts during collagen production, which leads to focal myxoid degeneration. To date, ten documented cases have been reported in the literature in adolescents. This paper reports a rare case of OFM with a narrative review of the available literature.
lrSVD: An efficient imputation algorithm for incomplete high‐throughput compositional data
Authors: Palarea‐Albaladejo Javier , Antoni Martín‐Fernández Josep , Ruiz‐Gazen Anne , Thomas‐Agnan Christine 
Published: November 2022

AbstractCompositional methods have been successfully integrated into the chemometric toolkit to analyse and model different types of data generated by modern high‐throughput technologies. Within this compositional framework, the focus is put on the relative information conveyed in the data by using log‐ratio coordinate representations. However, log‐ratios cannot be computed when the data matrix is not complete. A new computationally efficient data imputation algorithm based on compositional principles and aimed at high‐throughput continuous‐valued compositions is introduced that relies on a constrained low‐rank matrix approximation of the data. Simulation and real metabolomics data are used to demonstrate its performance and ability to deal with different forms of incomplete data: zeros, nondetects, missing values or a combination of them. The computer routines lrSVD and lrSVDplus are implemented in the R package zCompositions to facilitate its use by practitioners.
An Extremely Stable Interprotein Tetrahedral Hg(Cys)4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH
Authors: Łuczkowski Marek , Padjasek Michał , Ba Tran Józef , Hemmingsen Lars , Kerber Olga , Habjanič Jelena , Freisinger Eva , Krężel Artur 
Published: November 2022

AbstractInvited for the cover of this issue is the group of Artur Krężel at the University of Wrocław in collaboration with Lars Hemmingsen at The University of Copenhagen and Eva Freisinger at the University of Zürich. The image depicts the outcomes of HgII interactions with Rad50 protein. Read the full text of the article at 10.1002/chem.202202738.
Simultaneous Optimization of Process Design and Solvent in a Flowsheet Simulator
Authors: Stavrou Marina , Hoeller Johannes , Seidel Tobias , Mairhofer Jonas , Asprion Norbert 
Published: November 2022

AbstractFor processes using auxiliaries, the selection of the process fluid should not be separated from the process design. To solve the simultaneous process and fluid optimization problem for industrial applications, a flowsheet simulator is required. The implementation of the two‐stage CoMT‐CAMD approach in CHEMASIM, the in‐house flowsheet simulator of BASF SE, allows for large process topologies with a large variety of unit operation models to be modeled, while sustainability criteria like cost and life cycle assessment (LCA) objectives, are directly accessible and can be solved with single or multicriteria optimization methods. The modifications required for the implementation and the user interface designed for this purpose are presented here.
Comparative Effectiveness of Ticagrelor, Prasugrel, and Clopidogrel for Secondary Prophylaxis in Acute Coronary Syndrome: A Propensity Score‐Matched Cohort Study
Authors: Kumar Arun , Lutsey Pamela L. , St Peter Wendy L. , Schommer Jon C. , Van't Hof Jeremy R. , Rajpurohit Abhijeet , Farley Joel F. 
Published: November 2022

Comparative effectiveness evaluation of newer P2Y12 inhibitors (prasugrel and ticagrelor) compared with clopidogrel after acute coronary syndrome (ACS) is limited in real‐world US populations. The objective of this study was to evaluate cardiovascular events based on ticagrelor, prasugrel, and clopidogrel use in a real‐world patient setting. This retrospective cohort study used the IBM MarketScan database (January 1, 2013, to December 31, 2018) to create three propensity score‐matched pairs: ticagrelor vs. clopidogrel (N = 21,719), prasugrel vs. clopidogrel (N = 11,513), and prasugrel vs. ticagrelor (N = 11,065). The primary outcome was a composite of myocardial ischemia, unstable angina, stroke, and heart failure hospitalization. These groups were compared in a time‐to‐event analysis for the primary outcome at 30, 90, and 180 days following P2Y12 inhibitors initiation after percutaneous coronary intervention. Compared with clopidogrel, ticagrelor use suggested a 10% reduction in the primary outcome at 90 days (hazard ratio (HR): 0.90, 95% confidence interval (CI): 0.82–0.99). There were no differences for all other matched pairs or follow‐up combinations. In the subgroup analysis of females, the results suggested a risk reduction of 27% for prasugrel at 30 days (HR: 0.73, 95% CI: 0.53–1.00) and 17% for ticagrelor at 90 days (HR: 0.83, 95% CI: 0.70–0.98) when compared with clopidogrel. Among patients treated with bare‐metal stents, the results suggested that prasugrel vs. ticagrelor was associated with a 55% and 33% reduced risk for the primary outcome at 30 days and 180 days, respectively. With limited evidence in the United States comparing these drugs, this study helps inform clinicians when choosing P2Y12 inhibitors after ACS.
Brown adipose tissue and regulation of human body weight
Authors: Harb Elissa , Kheder Omar , Poopalasingam Gishani , Rashid Razi , Srinivasan Akash , Izzi‐Engbeaya Chioma 
Published: November 2022

AbstractBackgroundApproximately 30% of the global population is affected by obesity. Traditional non‐surgical measures for weight loss have limited efficacy and tolerability. Therefore, there is a need for novel, effective therapies. Brown adipose tissue (BAT) has been implicated in physiological energy expenditure, indicating that it could be targeted to achieve weight loss in humans. The use of 18F‐fluorodeoxyglucose (18F‐FDG) positron emission tomography—computed tomography—(PET‐CT) imaging has enabled the discovery of functionally active BAT in the supraclavicular, subclavian, and thoracic spine regions of human adults. This review aims to discuss the reasons behind the renewed interest in BAT, assess whether it is metabolically important in humans, and evaluate its feasibility as a therapeutic target for treating obesity.Sources of materialPubMed Central, Europe PMC, Medline.FindingsIn vivo studies have shown that BAT activity is regulated by thyroid hormones and the sympathetic nervous system. Furthermore, BAT uniquely contains uncoupling protein 1 (UCP1) that is largely responsible for non‐shivering thermogenesis. Cold exposure can increase BAT recruitment through the browning of white adipose tissue (WAT); however, this technique has practical limitations that may preclude its use. Currently available medicines for humans, such as the β3‐adrenergic receptor agonist mirabegron or the farnesoid X receptor agonist obeticholic acid, have generated excitement, although adverse effects are a concern. Capsinoids represent a tolerable alternative, which require further investigation.ConclusionsThe use of currently available BAT‐activating agents alone is unlikely to achieve significant weight loss in humans. A combination of BAT activation with physical exercise and modern, successful dietary strategies represents a more realistic option.
Whole‐of‐community invertebrate rewilding: Leaf litter transplants rapidly increase beetle diversity during restoration
Authors: Contos Peter , Murphy Nicholas P. , Gibb Heloise 
Published: November 2022

AbstractRestoration of degraded areas is now a central tool in humanity's response to continued species‐loss. However, restoration projects often report exceedingly slow or failed recolonization of fauna, especially dispersal‐constrained groups such as invertebrates. Active interventions via reintroducing or “rewilding” invertebrates may assist recolonization and speed up restoration of communities toward a desired target. However, invertebrate rewilding is rarely implemented during ecological restoration. Here, we studied the efficacy of invertebrate rewilding as a means of reintroducing dispersal‐constrained species and improving diversity and compositional similarities to remnant communities during restoration. Rewilding was conducted by transplanting leaf litter and soil, including associated communities of invertebrates from species rich remnant sites into species poor, and geographically isolated, revegetated farmland sites. We sampled pre‐ and post‐rewilding invertebrate communities in remnant, rewilded revegetation, and control revegetation sites. We analyzed morphospecies richness, abundance, community composition, and modeled morphospecies traits (dispersal method/trophic guild) using a Hierarchical Modelling of Species Communities approach to determine which biological properties facilitated establishment. Beetle (Coleoptera) morphospecies richness increased rapidly in rewilded sites and was indistinguishable from remnant communities as early as 7 months post‐rewilding. Beetle community similarity in the rewilding sites significantly deviated from the control sites 27 months post‐rewilding, however remnant communities remained distinct over the study timeframe. Establishment success varied as other taxa did not respond as consistently as beetles within the study timeframe. Furthermore, there were no discernible shifts in dispersal traits in rewilded sites. However, predatory morphospecies were more likely to establish post‐rewilding than other trophic groups. Our results demonstrate that the relatively simple act of transplanting leaf litter can result in comparatively large increases in morphospecies richness during restoration in a short timeframe. We advocate methodologies such as ours should be adopted more frequently to address failed community restoration as they are cost‐effective and can be easily applied by practitioners in various restoration settings. However, further efficacy tests (e.g., varying the number of rewilding events) and longer study timeframes are needed to ensure effectiveness for a broader range of invertebrate taxa and ecosystems.
Network topology mediates freshwater fish metacommunity response to loss of connectivity
Authors: Lee Finnbar , Simon Kevin S. , Perry George L. W. 
Published: November 2022

AbstractChanges in connectivity regimes affect patterns of diversity and species richness. In riverine ecosystems, factors that vary through space and time, such as flow, the presence of barriers to movement, and network topology determine connectivity, and in turn shape patterns of diversity and richness. While the effects of network topology and changes in spatiotemporal connectivity regimes on patterns of species richness have been studied in isolation, they have not been studied simultaneously. We used a discrete‐time logistic growth metacommunity model to analyze the role of spatial and temporal functional connectivity in determining patterns of local (patch level) species richness in freshwater fish metacommunities. Our modeling suggests that: (1) the effect of spatial loss of connectivity on local species richness is mediated by network topology and where richness is measured in the system and (2) increasing temporal autocorrelation in connectivity results in increasing temporal autocorrelation in patch occupancy. Spatial and temporal loss of connectivity is a ubiquitous issue for river ecosystems, making understanding and predicting its effects of fundamental importance to both improving theory and guiding river management. Our findings highlight the importance of network topology (and hence context dependency) in shaping metacommunity response to changing connectivity regimes.
Visible‐Light‐Induced Decarboxylative and Deboronative Radical Addition to Alkenes in Two‐Molecule Photoredox System Using Dibenzo[g,p]chrysene
Authors: Yamawaki Mugen , Hashimoto Ryoga , Kawabata Yuki , Ichihashi Miwa , Nachi Yasuhiro , Inari Rinpei , Sakamoto Chisato , Morita Toshio , Yoshimi Yasuharu 
Published: November 2022

AbstractVisible‐light‐induced decarboxylative and deboronative radical addition of aliphatic carboxylic acids and arylboronic acid pinacol esters to electron‐deficient alkenes using two‐molecule organic photoredox catalysts, such as dibenzo[g,p]chrysene as an electron donor and 1,4‐dicyanobenzene as an electron acceptor, proceeded efficiently to furnish radical adducts via the generation of alkyl and aryl radicals. The base and substrate play important roles in this photochemical system, and the sequential photoinduced decarboxylation of glutamic acid having two different carboxy groups was successful.
The heterogeneity of the hydromorphological responses of a stream to the urbanization of its basin
Authors: de Milleville Lucile , Gob Frédéric , Thommeret Nathalie , Lespez Laurent , Tales Évelyne , Zahm Amandine , Girondin Mathieu 
Published: November 2022

AbstractMorphological adjustment mechanisms and controls of small urban rivers are rarely studied especially in France. We propose an original hydrogeomorphological approach based on a detailed study of a whole catchment using field data acquired systematically all along the river: (i) channel cross‐sections; (ii) riffle‐pool sequences and (iii) obstacles to flow and rainwater drainage pipes. The entire length of the river was surveyed and the channel geometry (depth and width at bankfull) was measured on a cross‐section every 180 m or at each riffle (depending on which of the two intervals happened to be the shortest). The 357 transects thus established constitute as many elementary units of measurement (EUM) of the hydrographic network. Nine hydromorphological variables were used as a basis to classify the profiles (principal component analysis/hierarchical clustering analysis). The types were compared with 12 anthropogenic constraining variables to explain longitudinal morphological variability and to link morphology to pressures on this scale. The results showed an average incision of 0.50 m (locally over 1 m), an average widening of nearly 1 m (locally over 3 m), and heterogeneous distribution of the riffle‐pool sequences (although not complete disappearance). Systematic analysis of within‐channel forms revealed high morphological diversity, the absence of a linear relationship between the rate of urbanization and incision/erosion, and the absence of longitudinal changes in response to urbanization. The constraints identified are commonly observed in urbanized basins, but the variety of responses to the constraints makes it difficult to understand the system as a whole and prevents uniform ecological restoration along the entire river.