bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthetic Studies towards Pheromones by Cyanide‐Catalyzed Ring Transformation of α‐Hydroxy‐β‐oxoesters to δ‐Valerolactones
Authors: Speldrich Jean‐Marico , Schmidtmann Marc , Christoffers Jens 
Published: December 2022

AbstractThe cyanide‐catalyzed ring‐transformation of α‐hydroxy‐β‐oxoesters to δ‐lactones with exocyclic ester moiety is the key transformation for the preparation of racemic 5‐hexadecanolide (15 % over nine steps) and 6‐acetoxy‐5‐hexadecanolide (22 % over eight steps), two insect pheromones. The benzyloxycarbonyl moiety is transformed via the acid chloride to the undecanoyl side chain. After reduction of the ketone to the secondary alcohol, this functional group was either reduced via the chloro compound to furnish the 5‐hexadecanolide. On the other hand, stereoselective reduction of the ketone gave secondary alcohol with the wrong relative configuration, which was established by X‐ray single‐crystal structure. Inversion was achieved by reaction of the methanesulfonate with cesium acetate yielding (R*,S*)‐6‐acetoxy‐5‐hexadecanolide with the relative configuration also present in the natural product.
Design concepts for avoiding story mechanisms in steel MRFs under seismic loading
Authors: Kim Jeongjoo , Sause Richard 
Published: December 2022

AbstractThis paper proposes alternative seismic design approaches for steel moment‐resisting frames (MRFs) that improve their performance and reduce the number of undesirable one‐story and two‐story yield mechanisms that form under seismic loading, compared to MRFs designed using the conventional strong‐column‐weak‐beam (SCWB) design approach. The alternative design approaches are capacity‐design approaches that directly compare story shear force demands from nonlinear time‐history analyses (NTHA) with corresponding shear force capacities in design iterations to avoid one‐story and two‐story mechanisms. To implement the capacity‐design approach, the NTHA use special capacity‐controlled numerical models for design, in which the one‐story and two‐story shear force design demands are limited by the intended yield mechanisms of the MRF. Unlike the SCWB approach, the alternative design approaches directly address the cause of undesirable one‐story and two‐story mechanisms. The paper presents NTHA results for a set of MRFs, where some were designed using a conventional approach (including SCWB) and some were designed using the alternative approaches. The increases in nominal steel weight of the MRFs designed using the alternative approaches are relatively small compared to the weight of the MRF designed using the conventional SCWB approach. Compared to the MRF designed using the SCWB approach, the MRFs designed using the alternative design approaches have improved seismic performance with reduced tendency to form one‐story and two‐story mechanisms, more uniform story drifts, reduced maximum story drift, and improved collapse performance.
Comparison of Two Estrogen Chemically Activated Luciferase Expression Cell Bioassays to Liquid Chromatography–Mass Spectrometry for Quantifying Estrone in Water Samples
Authors: Brennan Jennifer , Henke Abigail , Gale Robert , Nicks Diane , Tillitt Donald 
Published: December 2022

Abstract
Chemically activated luciferase expression (CALUX) cell bioassays are popular tools for assessing endocrine activity of chemicals such as certain environmental contaminants. Although activity equivalents can be obtained from CALUX analysis, directly comparing these equivalents to those obtained from analytical chemistry methods can be problematic because of the complexity of endocrine active pathways. We explored the suitability of two estrogen CALUX bioassays (the Organisation for Economic Co-operation and Development–approved VM7Luc4E2 cell bioassay and the VM7LucERβc9 cell bioassay) for quantitation of estrogen. Quadrupole-time of flight ultraperformance liquid chromatography–mass spectrometry (LC/MS) was selected as a comparative method. Regression analysis of measured estrone (E1) calibration samples showed all three methods to be highly predictive of nominal concentrations (p ≤ 7.5 × 10–51). Extracts of water sampled from laboratory dilutor tanks containing E1 at 0, 20, and 200 ng/L alone and in combination with atrazine were selected to test the quantitative capabilities of the CALUX assays. Process controls (0 and 100 ng E1/L) and a separate E1 standard (10 ng/ml, used to prepare the E1 process control) were also tested. Levels of E1 determined by LC/MS analysis and bioanalytical equivalents (ng E1/L) determined by CALUX analyses were comparable except in certain instances where the samples required dilution prior to CALUX analyses (e.g., the E1 process control and E1 standard). In those instances, measurements by CALUX were slightly but significantly decreased relative to LC/MS. Atrazine had no effect on the ability of either LC/MS or the CALUX bioassays to quantify E1. The present study illustrates the CALUX bioassays as successful in quantifying an estrogen in simple water samples and further characterizes their utility for screening. Environ Toxicol Chem 2023;42:333–339. Published 2022. This article is a U.S. Government work and is in the public domain in the USA.
Abstract
Both quadrupole-time of flight ultraperformance liquid chromatography–mass spectrometry and estrogen chemically activated luciferase expression bioassays are highly predictive of nominal concentrations. QTOF-LC/MS = quadrupole-time of flight ultraperformance liquid chromatography–mass spectrometry; E1 = estrone.
1H-Nuclear Magnetic Resonance Metabolomics Analysis of Arabidopsis thaliana Exposed to Perfluorooctanoic Acid and Perfluoroctanesulfonic Acid
Authors: O'Hara Liam , Longstaffe James G. 
Published: December 2022

Abstract
Perfluorinated alkyl substances (PFAS) are ubiquitous environmental contaminants that are widely used in consumer products and fire suppression foams. The presence of PFAS in ground and surface water can create a route for PFAS to enter the soil, exposing ecosystems (including agroecosystems), where they will move through the food web via biomagnification. The toxicity of PFAS to plants, particularly in agricultural ecosystems, is of emerging concern due to the application of biosolids that are often contaminated with PFAS. Nevertheless, due to the low concentrations of PFAS in most agricultural soils, the direct impact of PFAS on plant health is not well understood. We used 1H-nuclear magnetic resonance (NMR) metabolomics to explore the effects of exposure of two key PFAS, perfluorooctanoic acid and perfluorooctanesulfonic acid, on Arabidopsis thaliana, a model organism. We found that Arabidopsis exhibited an accumulation of multiple metabolites, including soluble sugars (glucose and sucrose), multiple amino acids, and tri-carboxylic acid (TCA) cycle intermediates, suggesting that PFAS exposure impacts the metabolism of plants by causing an accumulation of stress-related amino acids and soluble sugars that drives increased activity of the TCA cycle. The present study shows that 1H-NMR metabolomics is a viable tool for investigating changes in the metabolic profile of plants exposed to PFAS and can be used to illuminate the stress response of plants in a high-throughput, nonbiased manner. Environ Toxicol Chem 2023;42:663–672. © 2022 SETAC
Effect of packaging and encapsulation on the oxidative and sensory stability of omega‐3 supplements
Authors: Yenipazar Hande , Şahin‐Yeşilçubuk Neşe 
Published: December 2022

AbstractOmega‐3 fatty acid consumption is getting more common due to its positive impacts on human health. Since consumers cannot get their omega‐3 needs from natural sources, omega‐3‐rich products play an essential part in the diet. However, they are highly susceptible to oxidation; thus, storage conditions affect their quality. Product form is also another critical factor for stability. In this study, fatty acid composition, oxidative stability, and sensory properties of different omega‐3 products having varied packaging types were investigated. Moreover, the effect of consumer behavior regarding the recommended usage was assessed during storage. Syrup forms (maximum values at the end of the storage: PV = 44.6 meq/kg oil for S32, p‐AV = 16.87 for S22, and TOTOX = 96.94 for S11) are more susceptible to oxidation than capsule (maximum values at the end of the storage: PV = 7.62 meq/kg oil for C31, p‐AV = 19.58 for C12, and TOTOX = 30.44 for C12) and chewable forms (maximum values at the end of the storage: PV = 26.14 meq/kg oil for G12, p‐AV = 13.47 for G12, and TOTOX = 65.76 for G12). In addition, capsules complied more with limit values during storage and were better protected according to the sensory scores. The aroma and taste of the omega‐3 products generally changed in a negative manner during storage. Capsulated samples were better protected according to the sensory evaluation scores at the end of the storage period. Fish oil samples belonging to the same company but provided from different stores showed significant differences, which is an indicator of nonstandard raw material, ingredient, or processing.
Combination of gamma irradiation and storage condition for improving mechanical and physical postharvest characteristics of fresh garlic cloves
Authors: Yoosefian Seyedeh Hoda , Ahmadi Ebrahim , Mohammad‐Razdari Ayat 
Published: December 2022

AbstractThe aim of this study was the discrimination and optimization of irradiation effect under physical and mechanical experiments on garlic. The samples were irradiated with 0, 75, and 150 Gy doses and stored at 4 and 18°C for 5 months. Physical, mechanical, and color properties were measured in the period of storage. Based on the results, all irradiated garlic samples had less quality variation than control samples. Response surface methodology (RSM) optimized dose, storage time, and temperature of the stored garlic which was 75 Gy, 2 months, and 17°C, respectively. In addition, after finding the optimal dose, time, and temperature, the most effective factor as weight loss was obtained and the data were classified by the principal component analysis (PCA) approach. The results showed that the PCA method had a high ability to classify and separate the data obtained from measuring the physicochemical properties of garlic and cover 99% variance of data. Moreover, partial least square (PLS) was applied for predicting weight loss data with R2 0.9999. As well, a mechanical test was investigated for finding the best situation and duration of storage condition. Finally, irradiation prevented the destruction of garlic and saved garlic in the best quality as compared with control or nonirradiated samples. After all this, it can be decided to keep garlic in warehouses and transfer this product with minimum damage.
Catalyst degradation under different test and poisoning conditions – Comparison parameters definition to map the effects on proton exchange membrane fuel cell voltage
Authors: Gadducci Eleonora , Reboli Tommaso , Rivarolo Massimo , Magistri Loredana 
Published: December 2022

AbstractProton exchange membrane fuel cells (PEMFCs) are considered among the most promising technologies for hydrogen utilization in both stationary and transport applications. Nevertheless, the cost of its components – especially the catalyst and the membrane – is still consistent and far from the cost predicted by the US Department of Energy. It is therefore essential to predict the effect of contaminants on PEMFC materials and to estimate their useful life. The literature on this topic is consistent, but the absence of standards for the experimental tests under contaminated flows makes it difficult to extrapolate the generic degradation trends and compare the results of different publications. This work aims to collect and interpret the results of the recent studies on catalyst contamination: the voltage degradation rate and reduction effect are defined via a data modeling work to understand and compare the effects of different contaminants, their concentrations, exposure times, and current densities. Thanks to the results of the present study, some conclusions are drawn regarding the impact of the different pollutants on cell voltage decay, with attention dedicated to establishing a correlation that takes into account also the different operating conditions.
Pricing multiasset time‐varying double‐barrier options with time‐dependent parameters
Authors: Lyuu Yuh‐Dauh , Zhang Yu‐Quan 
Published: December 2022

AbstractThis paper proposes the first lattice to price multiasset double‐barrier options when barriers, volatilities, correlations, and interest rates are all time varying. The nodes are strategically placed to both match the volatilities and align with the two barriers per asset for fast convergence. The branching probabilities are provably valid. The size of our lattice is , where is the number of time steps and is the number of assets, and is only for continuously monitored double‐barrier knock‐out options.
miRNA‐124 alleviated memory impairment induced by d‐galactose rapidly in male rats via microglia polarization
Authors: Huang Jinghao , Chen Dengchao , Lin Xinyi , Yang Chengxia , Lin Xianzhong 
Published: December 2022

AbstractMiRNA‐124 has been considered to play a significant role in the formation of memory and a variety of neurodegenerative diseases. In this study, the aim is to verify whether miRNA‐124 is involved in memory impairment induced by d‐galactose, and explore the underlying neuroprotective mechanism. The results revealed that rapid administration of d‐galactose (1000 mg/kg subcutaneously) in mice caused memory impairments, as determined by Novel Object Recognition test, Morris Water Maze test, and histological assessments. MiRNA‐124 agomir is stereotactic injected into hippocampus, thus alleviated memory impairment induced by d‐galactose and reversed the neural damage and neuroinflammation. Furthermore, the results of molecular biological analysis and immunohistochemistry revealed that miRNA‐124 markedly reduced neuroinflammation induced by d‐galactose through polarization of microglia as determined by detection of ionized calcium binding adapter molecule 1 (Iba‐1), inducible nitric oxide synthase (iNOS) and arginase‐1(Arg‐1), which also downregulated inflammatory mediators, including interleukin‐1β (IL‐1β) and tumor necrosis factor‐α (TNF‐α), and upregulated IL‐4 and IL‐10. Hence, taken together, the results of the present study suggested that miRNA‐124 showed a significant negative correlation with memory impairment and neuroinflammation induced by d‐galactose rapidly, possibly via polarization of microglia from M1 to M2. It is possible that miRNA‐124 can be used as a new target for the pathogenesis of memory impairment, including age‐associated neurodegenerative diseases such as Alzheimer's disease.
Situational analysis for informing the global strengthening of the occupational therapy workforce
Authors: Jesus Tiago S. , Mani Karthik , Bhattacharjya Sutanuka , Kamalakannan Sureshkumar , von Zweck Claudia , Ledgerd Ritchard ,   World Federation of Occupational Therapists
Published: December 2022

AbstractBackgroundOccupational Therapists are needed for meeting the health, rehabilitation, and occupational needs of the population worldwide, but there is no strategy for strengthening the occupational therapy workforce against a backdrop of an insufficient and inequitable supply worldwide.ObjectiveTo perform a situational assessment of occupational therapy workforce development and research toward informing a global human resources strategy for the occupational therapy workforce strengthening.MethodA multi‐methods design incorporating Strengths, Weaknesses, Opportunities and Threats (SWOT) analysis based on scoping review findings, workforce development frameworks, and expert feedback.ResultsStrengths included identified workforce research trends, gaps, and findings. Weaknesses included a shortage of workforce research, lack of uniform and readily available workforce datasets, absence of workforce research programs, over‐reliance on descriptive and non‐experimental research, lack of research on workforce topics (e.g., diversity), and lack of labor market or economic analyses. Opportunities are the availability of guidance and tools for strengthening the health and rehabilitation workforce worldwide, and increased membership from low‐ and middle‐income countries (LMICs) in the World Federation of Occupational Therapists. Threats include the suboptimal funding of occupational therapy workforce research, the lack of occupational therapists data on international datasets and studies, suboptimal educational capacity in LMICs, lack of professional regulation and uniform workforce data collection in many contexts, and a perceived lower priority of this health workforce focused on health and wellbeing rather than medical outcomes.ConclusionThis SWOT analysis identifies strengths and opportunities to be seized and weaknesses and threats to be addressed by development of a strategy for the global strengthening of the occupational therapy workforce.
Analysis and management of herbicidal mixtures in a high-intensity agricultural landscape in Belgium
Authors: Schuster Hanna S. , Taylor Nadine S. , Sur Robin , Weyers Arnd 
Published: December 2022

Abstract
Water bodies located in anthropogenically influenced environments, such as agricultural landscapes, may be exposed to different chemicals simultaneously or sequentially. Yet, current environmental risk assessments focus on single active substances for unintended mixtures. For 3.5 years, the present study monitored the mixture of herbicides, within an intensively managed agricultural catchment, accompanied by a stewardship program. Twelve herbicides and one metabolite were monitored on a daily to sub-daily basis, generating a unique, high temporal resolution data set, enabling an assessment of cumulative exposure in a worst-case scenario. Analyses focused on the number of events at which the herbicide mixture concentration exceeded the regulatory accepted concentration for algae and macrophytes, based on concentration addition, and the potential factors influencing the frequency of these events are considered. A low number of individual herbicides drove the toxicity and only two of these overlapped for the two organism groups, algae and macrophytes. The observed exceedance events coincided with seasonal influences, and low rainfall during the 2011 season correlated with a highly reduced number of these events. The major influence was found to be the implementation of the stewardship program, which directed farmers to use more advanced farming techniques, avoid spillages, and other point sources. The number of exceedance events was reduced by more than half for algae (9% of the daily mean samples in 2010 and 4% in 2013) and by approximately 10 times for macrophytes (36% in 2010 to 3% in 2013). This high-resolution monitoring data set illustrates how knowledge of the influencing factors can help reduce unintended exposure to chemicals and achieve real-world improvements. Overall, a single-substance assessment is protective of mixture effects. Where mixture effects do play a role, local measures to manage point sources are more effective than changes to the desk-based environmental risk assessments that focus on diffuse sources. Integr Environ Assess Manag 2023;19:1297–1306. © 2022 Cambridge Environmental Assessments RSK ADAS Ltd and Bayer AG. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).
Evaluation of the clinical performance of OncoPredict HPV® SCR assay within the VALGENT‐2 framework
Authors: Dhillon Sharonjit K. , Cocuzza Clementina E. , Chung Pui Yan Jenny , Martinelli Marianna , Giubbi Chiara , Njoku Ruth C. , Bhatia Ramya , Cuschieri Kate , Arbyn Marc 
Published: December 2022

AbstractHuman papillomavirus (HPV) assays used in cervical cancer screening should be clinically validated according to international criteria. OncoPredict HPV® Screening (SCR) is a partial genotyping multiplex real‐time PCR assay targeting E6/E7 genes of 13 high‐risk (hr) HPVs. OncoPredict HPV® SCR (index assay) identifies HPV‐16 and HPV‐18 separately, 11 other hrHPV in aggregate and includes quality controls for sample adequacy, DNA extraction efficiency and PCR inhibition. 1300 VALGENT‐2 study samples (from women aged 20–60 attending the Scottish cervical cancer screening program) were tested with the index assay and the GP5+/6+ PCR enzyme immunoassay (standard comparator assay). Non‐inferior accuracy detecting cervical intraepithelial neoplasia of grade 2 or worse (CIN2+) of the index versus comparator was verified. Intra‐ and interlaboratory reproducibility of the index was evaluated by overall concordance and Cohen's kappa, using a sub‐population (n = 526). Relative sensitivity and specificity for CIN2+ of the index versus comparator were 1.01 (95% confidence interval [CI]: 0.99–1.03) and 1.02 (95% CI: 1.0–1.04), respectively. Noninferiority p values were all ≤0.05, except for CIN3+ in patients ≥30 years. Excellent intra‐ and interlaboratory reproducibility was shown with concordance >98% and kappas >0.95. OncoPredict HPV® SCR fulfills the three international validation criteria for hrHPV DNA tests in cervical cancer screening.
National incidence and trends of bicycle injury
Authors: Johnson Charles A. , Newton William N. , LaRochelle Luke , Daly Charles A. 
Published: December 2022

AbstractBicycle utilization continues to increase annually, and this trend was recently accelerated by the coronavirus disease of 2019 pandemic. There is limited epidemiologic data, however, regarding the prevalence and nature of bicycle‐related injuries. Therefore, the purpose of this study is to characterize trends in bicycle‐related injuries. The National Electronic Injury Surveillance System was queried for bicycle‐related injuries from 2012 to 2021. Patient demographic and injury data were collected and analyzed to describe trends in incidence, patient demographics, and injury patterns associated with an emergency department encounter for a bicycle‐related injury. There were an estimated 4,666,491 (95% confidence interval: 4,661,472–4,671,510) bicycle‐related injuries from 2012 to 2021. The incidence of these injuries has significantly decreased over time (R = −0.983, R2 = 0.967, p < 0.001). However, the rate of injury in elderly patients increased over time. Injuries occurred most often during summer months (36%) and on weekend days (31.9%). Males and younger patients were more commonly injured. Head injuries were the most commonly affected body part among all age groups. Fractures were the most common injury type overall. Upper extremity injuries were more common than the lower extremity. Despite increased public bicycle utilization, there is a significant downtrend in bicycle‐related injuries over the last decade. Injuries among elderly patients are becoming more common, who demonstrate a high rate of fracture and head injury. Fractures and head injuries were the most common injuries among all age groups, highlighting the importance of bicycle safety initiatives and helmet‐wearing regardless of age.