bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Alkyl Groups on the Aerobic Peroxidation of Hydrocarbons Catalyzed by Cobalt(III) Alkylperoxo Complexes
Authors: Chen Yunzhou , Chen Gui , Man Wai‐Lun 
Published: July 2022

AbstractThe synthesis of various cobalt(III) complexes bearing a quaterpyridine ligand with different alkylperoxo groups via an unconventional approach is reported. Under ambient conditions, the cobalt(III) tert‐butylperoxo complex, [CoIII(OOtBu)(qpy)(NCCH3)]2+ (2) (qpy=2,2’:6’,2’’:6’’,2’’’‐quaterpyridine) oxidizes various organic substrates (RH) and leads to the formation of other alkylperoxo complexes with the general formula, [CoIII(OOR)(qpy)(NCCH3)]2+ [R=c‐C5H7 (3), PhCH2 (4), PhCHMe (5), PhCMe2 (6), p‐Br‐PhCMe2 (7), and p‐NO2‐PhCMe2 (8)]. The reactivity of 2 is further tuned by incorporating electron‐donating and ‐withdrawing substituents on the qpy ligand to afford [CoIII(OOtBu)(X‐qpy)(NCCH3)]2+ [X=Me2 (9), Me4 (10), and Cl2 (11)]. All complexes have been characterized by different physicochemical methods. The structures of 8, 9, and 11 are further determined by X‐ray crystallography. The kinetics of the aerobic peroxidation of cyclopentene with 2–11 indicate that the reaction rate depends on the R group with a descending order of tertiary>secondary>primary alkyl groups. In addition, the rate of reaction is also sensitive to the nature of substituents on qpy. Complexes with electron‐withdrawing substituents react more rapidly than those with electron‐donating substituents.
Photocatalytic Activity of Triphenylphosphine and Potassium Iodide System in the Decarboxylative Alkylation of 3‐Cyanochromones
Authors: Moczulski Marek , Artelska Angelika , Albrecht Łukasz , Albrecht Anna 
Published: July 2022

AbstractThe photocatalytic decarboxylative alkylation of 3‐cyanochromones using triphenylphosphine and potassium iodide as photoredox‐mediators has been described. The lower price of potassium iodide and triphenylphosphine, compared to standard photocatalysts, make this method cost‐effective and interesting. Visible light, cheap and readily available substrates, anhydrous solvent and inert atmosphere constitute the key parameters for the success of the developed transformation. The developed approach allows for obtaining a number of biologically relevant products with very good yields and benefits from a broad scope.
Sterically Hindered 2‐(2’‐Hydroxyphenyl)benzoxazole (HBO) Emitters: Synthesis, Spectroscopic Studies, and Theoretical Calculations
Authors: Stoerkler Timothée , Pariat Thibault , Laurent Adèle D. , Jacquemin Denis , Ulrich Gilles , Massue Julien 
Published: July 2022

AbstractWe describe various synthetic pathways to introduce sterically hindered substituents (mesityl, 2,4,6‐triisopropylphenyl, anthracene) to the proton donor side of excited‐state intramolecular proton transfer (ESIPT)‐capable 2‐(2’‐hydroxyphenyl) benzoxazole (HBO) fluorophores. Two original synthetic approaches were investigated in order to synthesize seven HBO derivatives. Optimization studies concluded that electron rich and bulky phosphine ligands are required to ensure completion of the Suzuki‐Miyaura cross‐coupling reaction involving a bulky aromatic boronic acid. The photophysical properties of all dyes revealed a strong influence of the nature of the solvent on the optical properties, as protic solvents tend to stabilize enol tautomers and induce dual emission. Our studies confirmed that, unlike the majority of organic dyes, ESIPT fluorophores do not undergo π‐stacking in the solid‐state. The nature of the excited‐states was explored by ab initio calculations.
Double Asymmetric Hydrogenation of (E)‐2‐Substituted‐4‐oxo‐2‐alkenoic Acids: An Efficient Synthesis of Chiral α, γ‐Disubstituted γ‐Butyrolactones
Authors: Liu Xian , Chen Cheng , Yuan Haohuan , Tang Xianglin , Jiang Ru , Gao Yue , Nie Huifang 
Published: July 2022

AbstractOptical pure α, γ‐disubstituted γ‐butyrolactones moieties are versatile building blocks for the synthesis of many drugs and natural products. Herein we report a straightforward and efficient approach to afford a series of chiral α, γ‐disubstituted γ‐butyrolactones with excellent results (up to 98 % yield, up to >99 : 1 d.r., and up to >99 % ee) through the double asymmetric hydrogenation of the (E)‐2‐methyl‐4‐oxo‐2‐alkenoic acids utilizing the rhodium/JosiPhos catalytic system.
Fluorescent 2‐Hydroxy‐3‐(pyridin‐2‐yl)‐4H‐quinolizin‐4‐ones through Dimerization of Pyridineacetic Acids
Authors: Sokolov Anatolii I. , Sycheva Maria A. , Farkhutdinova Dilara A. , Myasnyanko Ivan N. , Mikhaylov Andrey A. , Baleeva Nadezhda S. , Bochenkova Anastasia V. , Baranov Mikhail S. 
Published: July 2022

AbstractPyridineacetic acids undergo dimerization under action of the activating agents, giving rise to 2‐hydroxy‐3‐(pyridin‐2‐yl)‐4H‐quinolizin‐4‐ones. The introduction of a difluoroboryl bridge into such derivatives leads to novel highly fluorescent compounds.
Phenanthrene‐Embedded Carbaporphyrinoids and Related Systems: From Ligands to Cages and Molecular Switches
Authors: Szyszko Bartosz 
Published: July 2022

AbstractThis Review discusses the recent developments in the field of synthetic chemistry of PAH–porphyrin hybrids, emphasizing phenanthrene‐embedded carbaporphyrinoids and related systems. The discussion covers various aspects of phenanthriporphyrin and its derivates chemistry, including their spectroscopic features, aromaticity, core reactivity, and coordination properties. The development of expanded phenanthriporphyrinoids is outlined, followed by the presentation of related carbaporphyrinoids incorporating hydrocarbon moieties such as fluorene, biphenyl, terphenyl, and dibenzo[g,p]chrysene. The exploitation of phenanthriporphyrinoids as a unique class of ligands for organometallic chemistry is discussed, altogether with their use for the construction of conformational and stereochemical switches. The perspective for using related macrocycles as building blocks for carbaporphyrinoid cages is also outlined.
Unsupervised machine and deep learning methods for structural damage detection: A comparative study
Authors: Wang Zilong , Cha Young‐Jin 
Published: July 2022

AbstractWhile many structural damage detection methods have been developed in recent decades, few data‐driven methods in unsupervised learning mode have been developed to solve the practical difficulties in data acquisition for civil infrastructures in different scenarios. To address such a challenge, this article proposes a number of improved unsupervised novelty detection methods and conducts extensive comparative studies on a laboratory scale steel bridge to examine their performances of damage detection. The key concept behind unsupervised novelty detection in this article is that only normal data from undamaged/baseline structural scenarios are required to train statistical models with these methods. Then, these trained models are used to identify abnormal testing data from damaged scenarios. To detect structural damage in the form of loosening bolts in the steel bridge, four machine‐learning methods (i.e., K‐nearest neighbors method, Gaussian mixture models, one‐class support vector machines, density peaks‐based fast clustering method) and one deep learning method using a deep auto‐encoder are selected. Meanwhile, some modifications and improvements are made to enable these methods to detect structural damage in unsupervised novelty detection mode. In their comparative studies, the advantages and disadvantages of these methods are analyzed based on their results of structural damage detection.
Effect of low dose acetylsalicylic acid and anticoagulant on clinical outcomes in COVID‐19, analytical cross‐sectional study
Authors: Malik Muhammad B. , Amer Samar A. , Merrell Eric , Russo Ronald , Riley Jeffrey B. , Scro Austin , James Elizabeth , Anuforo Anderson , Adhikari Soumya , Siciliano Rosalie , Chebaya Philip , Darling Edward , Kuhn Michael , Nieman Gary , Shawkat Ahmed , Aiash Hani 
Published: July 2022

AbstractBackground and aimsThe therapeutic strategy for the treatment of known sequelae of COVID‐19 has shifted from reactive to preventative. In this study, we aim to evaluate the effects of acetylsalicylic acid (ASA), and anticoagulants on COVID‐19 related morbidity and mortality.MethodsThis record‐based analytical cross‐sectional study targeted 539 COVID‐19 patients in a single United States medical center between March and December 2020. Through a random stratified sample, we recruited outpatient (n = 206) and inpatient (n = 333) cases from three management protocols, including standard care (SC) (n = 399), low‐dose ASA only (ASA) (n = 112), and anticoagulation only (AC) (n = 28). Collected data included demographics, comorbidities, and clinical outcomes. The primary outcome measure was inpatient admission. Exploratory secondary outcome measures included length of stay, 30‐day readmission rates, medical intensive care unit (MICU) admission, need for mechanical ventilation, the occurrence of acute respiratory distress syndrome (ARDS), bleeding events, clotting events, and mortality. The collected data were coded and analyzed using standard tests.ResultsAge, mean number of comorbidities, and all individual comorbidities except for asthma, and malignancy were significantly lower in the SC compared to ASA and AC. After adjusting for age and comorbidity via binary logistic regression models, no statistical differences were found between groups for the studied outcomes. When compared to the SC group, ASA had lower 30‐day readmission rates (odds ration [OR] 0.81 95% confidence interval [CI] 0.35–1.88, p = 0.63), MICU admission (OR 0.63 95% CI 0.34–1.17, p = 0.32), ARDS (OR 0.71 95% CI 0.33–1.52, p = 0.38), and death (OR 0.85 95% CI 0.36–1.99, p = 0.71).ConclusionLow‐dose ASA has a nonsignificant but potentially protective role in reducing the risk of COVID‐19 related morbidity and mortality. Our data suggests a trend toward reduced 30‐day readmission rates, ARDS, MICU admissions, need for mechanical ventilation, and mortality compared to the standard management protocol. Further randomized control trials are needed to establish causal effects.
The role of psychological self‐care on worry of vaccination against COVID‐19 in Iranian pregnant women: A cross‐sectional study
Authors: Mirtabar Seyyedeh M. , Kheirkhah Farzan , Basirat Zahra , Barat Shahnaz , Pahlavan Zeynab , Ghadimi Reza , Gholinia Hemmat , Fateri Nooshin , ZarinKamar Banafsheh , Faramarzi Mahbobeh 
Published: July 2022

AbstractBackground and AimsAlthough previous studies have reported some psychological factors to prevent the worry of vaccination against COVID‐19 in pregnant women, the role of psychological self‐care is unclear. The present study aimed to investigate the role of psychological self‐care in pregnant women on the depressive symptoms, psychological distress, and worry of vaccination against COVID‐19.MethodsThe present cross‐sectional study was conducted during the peak of the Delta variant of COVID‐19 in Babol city (North, Iran) from August to November 2021. Two hundred pregnant women referring to three prenatal clinics completed five questionnaires including; demographic characteristics, Edinburgh postnatal depression scale, psychological self‐care, brief symptom inventory 18, corona disease anxiety scale, and acceptance of vaccination‐3 inventory.ResultsPregnant women were in relatively good condition based on psychological self‐care but were not significantly associated with demographic characteristics, such as age, gestational age, educational background, pregnancy, and risk of parity. It was psychological self‐care of pregnant women which negatively predicted the depressive symptoms (β = −0.311, p < 0.001), anxiety symptoms (β = −0.269, p < 0.001), psychological distress (β = −0.269, p < 0.001), and worry of vaccination against COVID‐19 (β = −0.214, p < 0.001).ConclusionWomen's psychological self‐care plays a protective role against the depressive symptoms, anxiety symptoms, psychological distress, and worry of vaccination against COVID‐19 during pregnancy. Clinicians need to pay more attention to the role of psychological self‐care as an important factor in preventing the symptoms of anxiety and depression during regular pregnancy visits.
Upregulated lncRNA‐NEF predicts recurrence and poor treatment outcomes of ankylosing spondylitis
Authors: Han Dapeng , Ouyang Guilin , Pan Peijun , Yuan Yuan 
Published: July 2022

AbstractIntroductionOsteoporosis is related to lncRNA‐neighboring enhancer of FOXA2 (NEF) and inversely correlated to ankylosing spondylitis (AS), implying that lncRNA‐NEF might also relate to AS. Thus, the study was carried out to investigate the involvement of lncRNA‐NEF in AS.MethodsThe study included 60 AS patients and 60 healthy controls. LncRNA‐NEF expression in synovial fluid samples was analyzed by reverse transcription quantitative real‐time polymerase chain reaction. Disease activity of the 60 AS patients was determined using the Ankylosing Spondylitis Disease Activity Score (ASDAS) 1–4 and Bath Ankylosing Spondylitis Disease Activity Index (BASDAI). Western blot was carried out to investigate the effects of lncRNA‐NEF on inflammatory factors in human fibroblast‐like synovial (HFLS) cells. A 3‐year follow‐up was performed to analyze the role of lncRNA‐NEF in the prediction of the recurrence of AS.ResultsOur study observed that lncRNA‐NEF expression was upregulated in synovial fluid of AS patients and significantly correlated with the ASDAS 1–4, BASDAI, erythrocyte sedimentation rate (ESR), and C‐reactive protein level (p < .05). Treatment with nonsteroidal anti‐inflammatory drugs significantly downregulated lncRNA‐NEF expression (p < .01). A 3‐year follow‐up showed that patients with high lncRNA‐NEF levels had a high recurrence rate (hazard ratio = 2.266). In addition, lncRNA‐NEF was found to regulate the expression of inflammatory factors in HFLS cells.ConclusionsTherefore, lncRNA‐NEF upregulation can predict recurrence and poor treatment outcomes of AS and has a great potential to serve as a predictive biomarker factor for the recurrent AS.
Profiling vitamin D, its mediators and proinflammatory cytokines in rheumatoid arthritis: A case–control study
Authors: Sakyi Samuel A. , Owusu‐Yeboah Mavis , Obirikorang Christian , Dadzie Ephraim Richard K. , Kwarteng Alexander , Opoku Stephen , Afranie Bright O. , Senu Ebenezer , Boateng Andy O. , Boakye Derrick K. , Buckman Tonnies A. , Amoani Benjamin 
Published: July 2022

AbstractIntroductionThe active form of vitamin D has immunomodulatory and anti‐inflammatory effect. Vitamin D is implicated in pathogenesis of rheumatoid arthritis (RA) and its deficiency leads to increased inflammation. Moreover, its production is dependent on concentration of calcium, phosphorus, and parathyroid hormone (PTH). Cytokines mediates inflammation in RA synovium. This study evaluated vitamin D, its mediators and proinflammatory cytokines among RA patients.MethodsIn a case–control study, 78 RA patients from Komfo Anokye Teaching Hospital rheumatology clinic and 60 healthy blood donors were recruited. Chemistry analyzer and enzyme‐linked immunosorbent assay kits were used to measure biochemical parameters and cytokines.ResultsWe found significantly higher levels of interleukin (IL)‐1β, interferon gamma (IFN‐γ), and tumor necrosis factor‐α (TNF‐α) in RA patients compared with controls (p < .05). There was a significant positive correlation between intact parathyroid hormone (iPTH) and IL‐10 (r = .30, p < .05) and a negative correlation between IL‐6 (r = −0.28, p > .05), IL‐1β (r = −0.25, p > .05), TNF‐α (r = −0.26, p > .05), IFN‐γ (r = −0.24, p > .05), and iPTH. There was a significant negative correlation between IL‐1β (r = −0.33, p < .05), IFN‐ γ (r = −0.29, p < .05), and calcium.ConclusionReduced PTH, calcium, and phosphorus is associated with higher levels of proinflammatory cytokines which may worsen RA disease condition. Vitamin D is therefore not an independent regulator of proinflammatory cytokines in RA.
Homologous gradient heterostructure‐based artificial synapses for neuromorphic computation
Authors: Teng Changjiu , Yu Qiangmin , Sun Yujie , Ding Baofu , Chen Wenjun , Zhang Zehao , Liu Bilu , Cheng Hui‐Ming 
Published: July 2022

AbstractGradient heterostructure is one of fundamental interfaces and provides an effective platform to achieve gradually changed properties in mechanics, optics, and electronics. Among different types of heterostructures, the gradient one may provide multiple resistive states and immobilized conductive filaments, offering great prospect for fabricating memristors with both high neuromorphic computation capability and repeatability. Here, we invent a memristor based on a homologous gradient heterostructure (HGHS), comprising a conductive transition metal dichalcogenide and an insulating homologous metal oxide. Memristor made of Ta–TaSxOy–TaS2 HGHS exhibits continuous potentiation/depression behavior and repeatable forward/backward scanning in the read‐voltage range, which are dominated by multiple resistive states and immobilized conductive filaments in HGHS, respectively. Moreover, the continuous potentiation/depression behavior makes the memristor serve as a synapse, featuring broad‐frequency response (10−1–105 Hz, covering 106 frequency range) and multiple‐mode learning (enhanced, depressed, and random‐level modes) based on its natural and motivated forgetting behaviors. Such HGHS‐based memristor also shows good uniformity for 5 × 7 device arrays. Our work paves a way to achieve high‐performance integrated memristors for future artificial neuromorphic computation.image
Is the discrimination against migrant workers tending toward zero in urban China?
Authors: Alam Mohammad Altaf‐Ul , He Xiaobo 
Published: July 2022

AbstractThe paper analyzes earnings differences between rural–urban migrants and urban workers in China to examine the proposition that discrimination against migrant workers is tending toward zero. Blinder‐Oaxaca decomposition is applied using the 2013 China Household Income Project (CHIP) database to find out the extent of discrimination against migrant workers. The results show the existence of wage difference between the two groups, however, most of the wage difference can be explained by observable characteristics implying that discrimination is on the wane. Assuming the urban worker's wage as a nondiscriminatory wage, the benchmark model shows that 82.9% of the wage difference can be explained by individual endowments. Furthermore, including occupation and industry variables the extended model can explain 91.8% leaving only 8.2% as the source of wage discrimination. Using the combined and Cotton (1988) method, the explanatory part is still very high (89.2% and 86.3%) although a bit lower than the previous method. To further support the proposition, we also do the same exercise using 2007 CHIP data that shows a higher percentage of discrimination (36.2%), implying that discrimination decreased in 2013 compared to 2007. A cautious review of similar literature also supports the view. In short, wage discrimination against migrant workers is tending toward zero in recent urban China.
Estimating the Incidence and Key Risk Factors of Cardiovascular Disease in Patients at High Risk of Imminent Fracture Using Routinely Collected Real-World Data From the UK
Authors: Pineda-Moncusí Marta , El-Hussein Leena , Delmestri Antonella , Cooper Cyrus , Moayyeri Alireza , Libanati Cesar , Toth Emese , Prieto-Alhambra Daniel , Khalid Sara 
Published: July 2022

ABSTRACT
The objective of this work was to estimate the incidence rate of cardiovascular disease (CVD) events (myocardial infarction, stroke, or CVD death) at 1 year among three cohorts of patients at high risk of fracture (osteoporosis, previous fracture, and anti-osteoporosis medication) and to identify the key risk factors of CVD events in these three cohorts. To do so, this prospective cohort study used data from the Clinical Practice Research Datalink, a primary care database from United Kingdom. Major adverse cardiovascular events (MACE, a composite outcome for the occurrence of either myocardial infarction [MI], stroke, or CVD death) were identified in patients aged 50 years or older at high or imminent fracture risk identified in three different cohorts (not mutually exclusive): recently diagnosed with osteoporosis (OST, n = 65,295), incident fragility fracture (IFX, n = 67,065), and starting oral bisphosphonates (OBP, n = 145,959). About 1.90%, 4.39%, and 2.38% of the participants in OST, IFX, and OBP cohorts, respectively, experienced MACE events. IFX was the cohort with the higher risk: MACE incidence rates (cases/1000 person-years) were 19.63 (18.54–20.73) in OST, 52.64 (50.7–54.5) in IFX, and 26.26 (25.41–27.12) in OBP cohorts. Risk of MACE events at 1 year was predicted in the three cohorts. Models using a set of general, CVD, and fracture candidates selected by lasso regression had a good discrimination (≥70%) and internal validity and generally outperformed the models using only the CVD risk factors of general population listed in QRISK tool. Main risk factors common in all MACE models were sex, age, smoking, alcohol, atrial fibrillation, antihypertensive medication, prior MI/stroke, established CVD, glomerular filtration rate, systolic blood pressure, cholesterol levels, and number of concomitant medicines. Identified key risk factors highlight the differences of patients at high risk of fracture versus general population. Proposed models could improve prediction of CVD events in patients with osteoporosis in primary care settings. © 2022 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Abstract
Among individuals at high risk of imminent fractures, those with incident fractures were at highest risk. A cardiovascular risk prediction tool was developed specifically for those at high risk of imminent fractures. The proposed tool outperforms existing models used in current clinical practice.
A novel chromosome 2q24.3‐q32.1 microdeletion in a fetus with multiple malformations
Authors: Zhu Mianmian , Wang Yihong , Guan Lijie , Lu Chaosheng , Sun Rongyue , Chen Yuan , Shi Jiamin , Zhu Yanying , Wang Dan 
Published: July 2022

AbstractBackgroundTerminal or interstitial deletion of chromosome 2q is rarely reported but clinically significant, which can result in developmental malformations and psychomotor retardation in humans. In the present study, we analyzed this deletion to comprehensively clarify the relationship between phenotype and microdeletion region.MethodsWe collected clinical records of the fetus and summarized patient symptoms. Subsequently, genomic DNA was extracted from fetal tissue or peripheral blood collected from parents. In addition, whole‐exome sequencing (WES) and copy number variation sequencing (CNV‐seq) were performed.ResultsThe fetus presented a previously unreported interstitial deletion of 2q24.3‐q32.1. WES and CNV‐seq revealed a de novo 18.46 Mb deletion at 2q24.3‐q32.1, a region involving 94 protein‐coding genes, including HOXD13, MAP3K20, DLX1, DLX2, SCN2A, and SCN1A. The fetus had upper and lower limb malformations, including camptodactyly and syndactyly, along with congenital cardiac defects.ConclusionHerein, we report a fetus with a novel microdeletion of chromosome 2q24.3‐q32.1, likely a heterozygous pathogenic variant. Haploinsufficiency of HOXD13 might be related to limb deformity in the fetus.