bluuebunny/crossref_metadata_2025_split huggingface dataset:
Feasibility of the contraction–relaxation coupling index in outcome prediction for patients with acute heart failure
Authors: Park Jiesuck , Hwang In‐Chang , Yoon Yeonyee E. , Park Jun‐Bean , Park Jae‐Hyeong , Cho Goo‐Yeong 
Published: January 2022

AbstractAimsContemporary heart failure (HF) classification based on left ventricular (LV) ejection fraction is limited for comprehensive assessment of LV function. We aimed to validate the feasibility of the contraction–relaxation coupling index (CRC) as a novel predictor for clinical outcomes in patients with acute HF.Methods and resultsA total of 3266 consecutive patients (median age: 74 years, 53% male) with acute HF were included. CRC was defined as the ratio of end‐diastolic elastance (LV end‐diastolic pressure/stroke volume) to end‐systolic elastance (LV end‐systolic pressure/end‐systolic volume). The risk for 1 year composite endpoint of all‐cause mortality or hospitalization for HF (primary outcome) was compared after group categorization using CRC tertiles (Tertile 1: CRC ≤ 0.17, Tertile 2: 0.17 < CRC ≤ 0.40, and Tertile 3: 0.40 < CRC). The median CRC was 0.3 and the median LVEF was 42%. After adjustment for clinical and echocardiographic covariates, CRC was an independent predictor for the primary outcome (hazard ratio [HR]: 1.74, 95% confidence interval [CI]: 1.47–2.07 in Tertile 3 and HR: 1.21, 95% CI: 1.02–1.44 in Tertile 2 when compared with Tertile 1; HR: 1.23, 95% CI: 1.14–1.33 per one‐standard deviation increment in CRC). The risk model with CRC showed better performance in outcome discrimination than the model with LVEF (c‐statistic 0.701 vs. 0.699, P for difference <0.001). Patients with higher CRC demonstrated better effectiveness of neurohormonal blockade for the primary outcome compared with those with lower CRC (HR: 0.38, 95% CI: 0.29–0.50 in Tertile 3 and HR: 0.67, 95% CI: 0.52–0.89 in Tertile 1).ConclusionsCRC provides an independent value for outcome prediction in patients with acute HF. CRC would be a sensitive indicator for prognostic risk stratification and for predicting treatment response to the neurohormonal blockade.
Six‐months immunogenicity of BNT162b2 mRNA vaccine in heart transplanted and ventricle assist device‐supported patients
Authors: Itzhaki Ben Zadok Osnat , Shaul Aviv A. , Ben‐Avraham Binyamin , Yaari Vicky , Ben Zvi Haim , Eliakim‐Raz Noa , Yahav Dafna , Abed Galia , Abuhazira Miriam , Barac Yaron D. , Mats Israel , Shochat Tzippy , Aravot Dan , Kornowski Ran , Ben‐Gal Tuvia 
Published: January 2022

AbstractAimsTo assess the 6 months immunogenicity to severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) mRNA vaccine in a population of heart transplanted (HTx) recipients and left ventricular assist device (LVAD)‐supported patients.Methods and resultsA prospective single‐centre cohort study of HTx recipients and LVAD‐supported patients who received a two‐dose SARSCoV‐2 mRNA vaccine (BNT162b2, Pfizer‐BioNTech). Whole blood for anti‐spike IgG (S‐IgG) antibodies were drawn at 6 months after the first vaccine dose. S‐IgG data at 6 weeks were available for a subgroup of HTx recipients. S‐IgG ≥ 50 AU/mL were interpreted positive. The cohort included 53 HTx recipients and 18 LVAD‐supported patients. The median time from HTx or LVAD implantation to the 1st vaccine dose was 90 (IQR 30, 172) months and 22 (IQR 6, 78) months, respectively. The seropositivity rates of S‐IgG antibodies and their titre levels in HTx recipients and LVAD‐supported patients were 45% and 83% respectively, (P = 0.006), and 35 (IQR 7, 306) AU/mL and 311 (IQR 86, 774) AU/mL, respectively, (P = 0.006). Reduced SARSCoV‐2 vaccine immunogenicity in HTx recipients was associated with older age [odds ratio (OR) 0.917 confidence interval (CI 0.871, 0.966), P = 0.011] and with the use of anti‐metabolites‐based immunosuppressive regimens [OR 0.224 (CI 0.065, 0.777), P = 0.018]. mTOR inhibitors were associated with higher immunogenicity [OR 3.1 (CI 1.01, 9.65), P = 0.048]. Out of 13 HTx recipients who were S‐IgG seropositive at 6 weeks after the first vaccine dose, 85% remained S‐IgG seropositive at 6 month follow‐up.ConclusionsAt 6 months post‐vaccination, S‐IgG immunogenicity in HTx recipients is low, particularly in older HTx recipients and in those treated with anti‐metabolites drugs.
Chiral Ferrocenyl−Iodotriazoles and −Iodotriazoliums as Halogen Bond Donors. Synthesis, Solid State Analysis and Catalytic Properties.
Authors: Aubert Emmanuel , Doudouh Abdelatif , Wenger Emmanuel , Sechi Barbara , Peluso Paola , Pale Patrick , Mamane Victor 
Published: January 2022

AbstractDespite the increasing number of applications based on halogen bond (XB), asymmetric catalysis purely based on such supramolecular interactions still remains a huge challenge. The first step toward its development is the design of appropriate XB chiral donor molecules with good catalytic properties. In this context, we report the synthesis of a series of iodinated compounds based on the triazole or triazolium ring and possessing the planar chirality of ferrocene. Their XB donor property was attested by X‐ray diffraction analysis, showing short I⋅⋅⋅N and I⋅⋅⋅F interactions in the triazole‐based derivatives and in the tetrafluoroborate salt of a idodotriazolium, respectively. The potential of these compounds to act as XB‐based catalysts was demonstrated in the aza‐Diels‐Alder reaction involving an imine and a diene. Whereas triazole‐based derivatives were inactive in this reaction, the triflate salts of iodotriazoliums delivered the expected cycloadduct with high yield.
Manifestations of Antiaromaticity in Organic Materials: Case Studies of Cyclobutadiene, Borole, and Pentalene
Authors: Hong Calvin , Baltazar Juan , Tovar John D. 
Published: January 2022

AbstractThis Review surveys the experimental and synthetic history of three classic antiaromatic cores: cyclobutadiene, borole, and pentalene. The coverage extends from the bare molecular cores to fused or substituted variants that impart thermodynamic or kinetic stability to the antiaromatic systems. Recent studies to utilize the unusual properties of these antiaromatic cores in the context of advanced electronic materials are discussed.
Redox‐Active Dendrimer‐Like Oligoguanidines and Their Use in a Proton‐Coupled Electron Transfer Reaction
Authors: Steuer Lena , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: January 2022

AbstractRedox‐active organic dendrimers are of interest for a variety of applications, e. g. as components in optoelectronic devices and energy‐storage (battery) materials, and were also used to model enzymatic reactivity. Here, we report the first synthesis of redox‐active dendrimer‐like oligoguanidines, assembling six or twelve guanidino groups attached to aromatic cores in one molecule. The novel oligoguanidines, being strong electron donors, are characterized in their stable (neutral and dicationic) redox states. Redox processes occur preferrentially at the core, while the periphery provides highly Brønsted basic sites. The combined electron and proton acceptor properties of the molecules in their stable oxidized dicationic redox state motivate applications in proton‐coupled electron transfer (PCET) processes. In this work, we test their application in a representative intramolecular oxidative aryl‐aryl coupling reaction.
Synthesis of Pyranocyclopentaindolines Representing the Western Sections of Janthitrem B, JBIR‐137, and Shearinine G
Authors: Fresia Marvin , Lindel Thomas 
Published: January 2022

AbstractThe synthesis of the ABCD tetracyclic partial structures of the fungal indole diterpenes janthitrem B, JBIR‐137, and shearinine G is reported. The route starts from 5‐formylated indoline that is coupled to a dihydropyran moiety, followed by Prins cyclization. A diene was obtained that was oxygenated in a divergent manner. The hydroxylated tetracyclic western half of janthitrem B was obtained in eight steps and 10 % overall yield. We also share our experience with alternative approaches passing via alkynylated precursors. This includes the gold‐catalyzed cycloisomerization of a 6‐ethynyl‐5‐prenylindoline.
Dynamic Covalent Reactions Controlled by Ring‐Chain Tautomerism of 2‐Formylbenzoic Acid
Authors: Li Ziyi , Zhang Ling , Zhou Yuntao , Zha Daijun , Hai Yu , You Lei 
Published: January 2022

AbstractDynamic covalent chemistry (DCC) is an intensive area of research as it has found utility in the creation of molecular assemblies, complex systems, and ordered frameworks. Herein we demonstrate the development of dynamic covalent reactions (DCRs) of common N‐, O‐, and S‐mononucleophiles by controlling ring‐chain tautomerism of 2‐formylbenzoic acid. The regulation of distinct dual reactivity of interconverting open aldehyde and cyclic hemiacetal forms, the thermodynamic stabilization through chelation and delocalization, as well as the kinetic effect resulting from neighboring group participation, enabled the realization of DCRs of a broad range of alcohols, thiols, primary amines, and secondary amines exhibiting high efficiency and fast equilibrium. The dynamic nature of the system was verified through component exchange, and the switch of DCRs was achieved through the manipulation of substrate selectivity. The investigation of mechanism shed insights on the dependence of reaction pathways on nucleophiles, laying the foundation for future design and application.
A model sufficiency test using permutation entropy
Authors: Huang Xin , Shang Han Lin , Pitt David 
Published: January 2022

AbstractUsing the ordinal‐pattern concept in permutation entropy, we propose a model sufficiency test to study a given model's point prediction accuracy. Compared with some classical model sufficiency tests, such as Broock et al.'s (1996) test, our proposal does not require a sufficient model to eliminate all structures exhibited in the estimated residuals. When the innovations in the investigated data's underlying dynamics show a certain structure, such as higher moment serial dependence, Broock et al.'s (1996) test can lead to erroneous conclusions about the sufficiency of point predictors. Due to the structured innovations, inconsistency between the model sufficiency tests and prediction accuracy criteria can occur. Our proposal fills in this incoherence between model and prediction evaluation approaches and remains valid when the underlying process has nonwhite additive innovation.
Petrogenesis and tectonic implications of late Permian and Triassic granitoids on Hainan Island, South China
Authors: Yin Zhengxin , Lu Xingxin , Huang Qiangtai , Zheng Hao , Cai Zhourong , Hua Yuanjun , Zhang Chenglei , Deng Fei , Xie Anyuan 
Published: January 2022

Hainan Island is a key part of the eastern Tethyan region and contains detailed geological information that can enhance our understanding of the tectonic evolution of this region since the late Palaeozoic. In this paper, we report geochronological, geochemical, and Sr–Nd isotopic data for granitoids from Baomei and Chahe in the northern part of Hainan Island. Three new zircon U–Pb ages of 243.3 ± 1.7 Ma, 237.1 ± 5.1 Ma, and 257.0 ± 4.0 Ma were obtained for these granitoids. The late Permian Chahe granite (257 Ma) is weakly peraluminous to peraluminous, and has rare earth element patterns and Ga/Al and FeOT/MgO ratios typical of A‐type granites formed in an extensional tectonic setting. The Middle Triassic Baomei granitoids (243–237 Ma) are weakly peraluminous, and exhibit a negative correlation between P2O5 and SiO2, which is typical of I‐type granites. All the granitoids have EM II‐type‐enriched mantle Sr–Nd isotopic compositions, which indicate that they were derived from a mantle source that had experienced enrichment and metasomatism. Hainan Island was in an extensional tectonic setting from the late Permian to Middle Triassic when widespread A‐ and I‐type granites were generated. We speculate that Hainan Island was mainly affected by the Tethyan tectonic domain during the Permian–Triassic, which involved closure of the Palaeo‐Tethys Ocean, collision of the Indochina and South China blocks, and subsequent post‐collisional extension.
PET‐CT versus MRI in the diagnosis of lymph node metastasis of cervical cancer: A meta‐analysis
Authors: He Tao , Sun Jiangming , Wu Jie , Wang Hui , Liang Changping , Wang Huan , Li Shujun , Su Shunbing 
Published: January 2022

AbstractTo compare the clinical application value of positron emission tomography–computed tomography (PET‐CT) and magnetic resonance imaging (MRI) in the diagnosis of cervical cancer lymph node metastasis. We searched PubMed and other databases for the studies comparing the use of PET‐CT and MRI for the diagnosis of cervical cancer lymph node metastasis up to January 20, 2021. We strictly followed the inclusion and exclusion criteria to screen the literature and extract the data. Quality Assessment of Diagnostic Accuracy Studies (QUADAS)‐2 tool was used for quality evaluation of included studies, and Revman 5.3 and Stata 15.0 software were used for evaluating heterogeneity, synthesize sensitivity (SEN), specificity (SPE), positive likelihood ratio, negative likelihood ratio, diagnostic odds ratio (DOR), and the area under the curve (AUC) and comparing the pretest and posttest probabilities. Finally, 11 studies were included for meta‐analysis. The synthesized results indicated that the SEN value of PET‐CT was 0.65 (0.60 ~ 0.69) and SPE was 0.93 (0.91 ~ 0.94), and the SEN value of MRI was 0.58 (0.54 ~ 0.63) and SPE was 0.91 (0.90 ~ 0.92). AUC of PET‐CT was 0.824, which was significantly higher than that of MRI (AUC = 0.702; p < .05). The subgroup analysis showed that the AUC value of the study based on study design and use of blinding methods was not statistically significant (all p > .05). There was no obvious publication bias in the synthesized analysis of the diagnostic value of PET‐CT and MRI (all p > .05).Highlights
To compare positron emission tomography–computed tomography (PET‐CT) and magnetic resonance imaging (MRI) in diagnosis of cervical cancer lymph node metastasis.
Synthesize sensitivity value of PET‐CT was comparable with that of MRI.
Area under the curve of PET‐CT was significantly higher than that of MRI.
There was no obvious publication bias in synthesized analysis.
Remineralization potential of P11‐4 and fluoride on secondary carious primary enamel: A quantitative evaluation using microcomputed tomography
Authors: Özdemir Şerife , Taran Pınar Kınay , Mammadlı Narmin , Altınova İlay Sena , Gazioğlu Işıl 
Published: January 2022

AbstractThe aim of this study was to assess the ability of self‐assembling peptide (P11‐4) diffusion, assembly, and remineralization to effect artificial secondary caries‐like lesions in human primary teeth in vitro. Enamel‐dentin blocks obtained from extracted human primary molars were embedded into epoxy resin blocks. Cavities (approximately 1 × 1 × 2 mm) were prepared on the surface using a high‐speed diamond bur under constant water cooling and filled with composite restorative material (Filtek Z250; 3 M ESPE). The samples were immersed in demineralizing solution (20 ml) for 96 h to produce secondary caries lesions and divided into two groups according to the testing materials: fluoride varnish (Duraphat; Colgate, UK) and P11‐4 (Curodont Repair; Credentis, Switzerland). Except for the control areas, all samples were remineralized for 3–5 min using the remineralizing agents, and then all the sections were placed in a pH‐cycling system for 5 days at 35°C. The pH cycling procedure was followed by micro‐CT analysis for the qualitative evaluation of surface changes. The Mann–Whitney U test was used to compare two independent groups. In the comparison of more than two dependent groups, Bonferroni smoothed pairwise analyses were used to determine the source of the Kruskal–Wallis H test difference. The results of the study revealed that the remineralization depths of the peptide group were higher than those of the fluoride group (p < .01). There was a statistically significant difference in remineralization effects between the fluoride and peptide groups. P11‐4 can be considered as an effective remineralizing agent for secondary caries lesions.
Metal‐free ring opening of 5‐amino‐1,4‐diaryl‐1H‐pyrazoles: A facile access to 2‐aryl‐3‐arylazoacrylonitriles
Authors: Chatterjee Arpita , Radhakrishnan Divya , Bandyopadhyay Debashruti , Kanchithalaivan Selvaraj , Peruncheralathan Saravanan 
Published: January 2022

AbstractVarious 2‐aryl‐3‐arylazoacrylonitriles are synthesized while attempting the intramolecular N‐arylation of 5‐aminopyrazoles, using the hypervalent iodine reagent. The synthesis involves phenyl iodine diacetate‐assisted ring opening of 5‐aminopyrazoles at room temperature. A plausible mechanism for the formation of azoalkenes is proposed.
Fang shape varies with ontogeny and sex in the venomous elapid snake Pseudonaja affinis
Authors: Cleuren Silke G. C. , Patterson Matthew B. , Hocking David P. , Warburton Natalie M. , Evans Alistair R. 
Published: January 2022

AbstractA predator's preferred prey often changes over the course of its life as it grows from an inexperienced juvenile through to a sexually mature adult. For species with highly specialised feeding strategies, this may require its anatomy to change over the course of its life. The dugite (Pseudonaja affinis, Günther 1872) is a venomous snake from Australia that displays such a diet shift, with juveniles feeding on small reptiles, while adults mainly target mammals. We examined the morphology of fangs across both sexes and throughout ontogeny using geometric morphometrics and cross‐sectional sharpness measurements of key functional regions on these teeth. This highlighted key differences in shape that likely relate to the varied properties of their adult and juvenile diet. We found that juveniles display a more robust and blunter fang, which likely relates to feeding on scaly lizard prey, whereas adults have slender fangs with sharper tips, which reflects their diet of softer mammalian prey. There were also differences between males and females, with male snakes having significantly more slender fangs than females, which might be an indication of niche partitioning between the sexes. Using snout‐vent length as a proxy for age, we found that the ontogenetic shift in fang shape occurs when P. affinis is around 60 cm long, corresponding with previous studies that found this size to be the moment where these snakes switch from their juvenile to adult diet.
Job attitudes: A meta‐analytic review and an agenda for future research
Authors: Woznyj Haley M. , Banks George C. , Whelpley Christopher E. , Batchelor John H. , Bosco Frank A. 
Published: January 2022

SummaryGiven the importance and popularity of employee job attitudes in academics and practice (e.g., annual engagement surveys), it is crucial to explore and summarize previous developments in the literature to identify ways to advance the field. The current review takes a systematic approach to exploring the nomological network, including investigating redundancy, of seven common job attitudes. We present a portfolio of evidence relying on three primary studies and one meta‐analytic study (total k = 6631; total n = 3 309 205). Our results raise concerns about the measurement of select job attitudes. Further, job attitudes are moderately to strongly correlated with each other (most relations landing between ρ = .50 and .69) and have similar patterns of relationships with antecedents, correlates, and outcomes. Yet, relative weights analyses illustrate that some attitudes have more validity in predicting key employee outcomes than others, which points to theoretically relevant utility concerns among specific job attitudes. This review offers a contribution by synthesizing the literature and developing a future research agenda based on the current findings that will advance the field further. Finally, this work offers a primer on job attitudes, with definitions, applicable theoretical frameworks, scales and items, and empirical relationships between key constructs.
Solid‐phase microextraction combined with gas chromatography/triple quadrupole tandem mass spectrometry for determination of nitrated polycyclic aromatic hydrocarbons in sediments
Authors: Kong Jijie , Gao Zhaoqi , Hu Guanjiu , Huang Wen , Zhou Shaoda , He Huan , Xian Qiming , Sun Cheng 
Published: January 2022

AbstractNitro‐polycyclic aromatic hydrocarbons have been detected in various environmental media. However, determination in sediment matrix is challenging due to the lack of a suitable method. In this study, a reliable method for determining 15 nitro‐polycyclic aromatic hydrocarbons in sediments was developed based on accelerated solvent extraction and solid‐phase microextraction coupled with gas chromatography–tandem mass spectrometry. The accelerated solvent extraction and solid‐phase microextraction are sample pre‐treatment techniques that have advantages, such as rapid operation and minimal sample volume. Initially, the solid‐phase microextraction was optimized using five commercial fibers and from that 65 μm polydimethylsiloxane/divinylbenzene fiber was selected as the best fiber. Further, the accelerated solvent extraction conditions were optimized by Taguchi experimental design, such as extraction temperature (120℃), extraction solvent (dichloromethane), number of cycles (two), static extraction period (4 min), and rinse volume (90%). The method parameters, such as limits of quantitation, and intraday and interday accuracy and precision, were in the range of 0.067–1.57 ng/g, 75.2–115.2%, 69.9–115.4%, and 1.0–16.5%, respectively. Upon meeting all the quality criteria, the method was applied successfully to analyze real sediment samples. Therefore, our study creates a new prospect for the future application of direct immersion solid‐phase microextraction in sediment analysis.
Development and validation of a hydrophilic interaction liquid chromatography‐tandem mass spectrometry method for the quantification of regadenoson in human plasma and its pharmacokinetic application
Authors: Wang Dun‐Jian , Wang Da‐Wei , Fang Qiu‐Chen , Shen Ye , Zeng Nv‐Jin , Yang Yan‐Ling , Zhang Hong‐Wen , Wang Yong‐Qing , Sun Lu‐Ning 
Published: January 2022

AbstractRegadenoson, the first selective adenosine A2A receptor agonist, is used to perform exercise stress test during radionuclide myocardial perfusion imaging. To detect the concentration of regadenoson in human plasma, a simple, fast, and sensitive tandem mass spectrometry method was established herein. Acetonitrile was used as a protein precipitation agent. Chromatographic separation was completed in 6.5 min using a BEH HILIC column (50 × 2.1 mm, 1.7 μm). The mobile phase consisted of 10 mmol/L ammonium acetate/acetonitrile (gradient elution). To quantify regadenoson and regadenoson‐d3, an API 4000 mass spectrometry in multiple reaction monitoring mode with transitions of 391.3→259.2 and 394.3→262.2, respectively, was utilized. The calibration curve was linear in the range of 0.100–50.0 μg/L, and the intrabatch and interbatch precisions were <9.7% and <13.0%, respectively, and the accuracy was 2.0–6.9%. There was no apparent matrix effect for regadenoson or regadenoson‐d3. The developed method was used to study the pharmacokinetic characteristics of regadenoson in healthy Chinese subjects.