bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mono‐Doped Carbon Nanofiber Aerogel as a High‐Performance Electrode Material for Rechargeable Zinc‐Air Batteries
Authors: Li Yiming , Chen Meihua , Chu Mingming , Wang Xue , Wang Yixuan , Lin Xiangsong , Cao Xuebo 
Published: December 2020

AbstractNitrogen‐doped porous carbon (NPC) materials have attracted increased attention for zinc‐air battery (ZAB) applications because of their comparable electrocatalytic activity to precious metals. However, few metal‐free NPC catalysts exhibit an oxygen reduction reaction performance better than Pt catalysts, together with high oxygen evolution reaction catalytic activity. Herein, an efficient oxygen electrocatalyst based on highly integrated carbon nanofiber (CNF) and NPC aerogels, with CNF as the core and NPC as the shell, is demonstrated. The NPC@CNF aerogels are prepared through a large‐scale, direct pyrolysis of metal‐organic frameworks and bacterial cellulose hybrids. This mono‐doped carbon material with nitrogen heteroatoms displays outstanding bifunctional performance compared to the individual counterparts, which demonstrates the effectiveness of morphological and structural engineering. Density functional theory calculations reveal that the active sites with the participation of multi‐electrons weaken the O−O bond and facilitate the four‐electron oxygen reduction in the dissociation pathway. The ZAB based on the NPC@CNF air electrode exhibits a peak density of 96 mW cm−2 and a stable charge–discharge durability of over 420 cycles with an overpotential increase of only 0.10 V, indicating that the mono‐doped NPC@CNF performs as one of the best bifunctional catalysts among those recently reported metal‐based and metal‐free catalysts.
Synthesis of Co3O4/Carbon Heteroaerogels with Ultrahigh Capacitance via Polyethyleneimine Intercalation of Co2BIM4 Nanosheets
Authors: Liu Chuanyao , Yue Wenzhe , Li Yanhong , Huang Aisheng 
Published: December 2020

AbstractThe development of metal–organic frameworks (MOFs)‐based supercapacitors have attracted intense concentration in recent years due to their regularly arranged porous and tunable pore sizes. However, the performance of the MOFs‐derived supercapacitors is also low because of their poor electrical conductivity and rarely accessible active sites. In the present work, we developed a Co‐MOF (namely Co2BIM4, BIM=benzimidazole) nanosheets derived Co3O4/nitrogen‐doped carbon (Co2BIM4‐Co3O4/NC) heteroaerogel as a novel supercapacitor electrode. The 3D Co2BIM4‐Co3O4/NC heteroaerogels were obtained by directly intercalating polyethyleneimine (PEI) into the interlayers of Co2BIM4 nanosheets and following by carbonizing the resulting Co2BIM4/PEI composite. The Co2BIM4‐Co3O4/NC electrode possessed 3D conductive framework with an overlapped hetero‐interface and expanded interlayers, leading to fast and stable charge transfer/diffusion and an enhanced pseudocapacitance performance. Therefore, the Co2BIM4‐Co3O4/NC electrode showed ultrahigh capacitance of 2568 F g−1 at 1 A g−1, 1747 F g−1 at 10 A g−1, and excellent long cycling time with a capacitance preservation of 92.7 % following 10000 cycles at 10 A g−1, which is very promising for applications in supercapacitors and other energy storage devices.
Ruthenium‐Catalyzed Coupling Reactions of CO2 with C2H4 and Hydrosilanes towards Silyl Esters
Authors: Kunihiro Kana , Heyte Svetlana , Paul Sébastien , Roisnel Thierry , Carpentier Jean‐François , Kirillov Evgueni 
Published: December 2020

AbstractA series of in situ‐prepared catalytic systems incorporating RuII precursors and bidentate phosphine ligands has been probed in the reductive carboxylation of ethylene in the presence of triethylsilane as reductant. The catalytic production of propionate and acrylate silyl esters was evidenced by high‐throughput screening (HTS) and implemented in batch reactor techniques. The most promising catalyst systems identified were made of Ru(H)(Cl)(CO)(PPh3)3 and 1,4‐bis(dicyclohexylphosphino)butane (DCPB) or 1,1’‐ferrocene‐diyl‐bis(cyclohexylphosphine) (DCPF). A marked influence of water on the acrylate/propionate selectivity was noted. Turnover numbers [mol mol(Ru)−1] up to 16 for acrylate and up to 68 for propionate were reached under relatively mild conditions (20 bar, 100 °C, 0.5 mol % Ru, 40 mol % H2O vs. HSiEt3). Possible mechanisms are discussed.
Evidence for Atropisomerism in Polycyclic γ‐Butenolides: Synthesis, Scope, and Spectroscopic Studies
Authors: Roy Debayan , Baire Beeraiah 
Published: December 2020

AbstractDesign and development of a domino cyclative approach for the synthesis of new polycyclic γ‐butenolides from β‐aryl‐Z‐enoate propargylic alcohols, through the interception of an intermediate of the Z‐enoate‐assisted Meyer–Schuster rearrangement, has been reported. A systematic NMR analysis of various derivatives of this class revealed and supported the potential atropisomerism associated with them. These molecules represent first examples of butenolide ring‐based atropisomeric compounds in organic chemistry. The synthetic process involves a synchronous construction of both rings with concurrent creation of the potential stereogenic rotational axis.
Tumor mutational burden on cytological samples: A pilot study
Authors: Pepe Francesco , Pisapia Pasquale , Gristina Valerio , Rocco Danilo , Micheli Mariacarolina , Micheli Pietro , Iaccarino Antonino , Tufano Rossella , Gragnano Gianluca , Russo Gianluca , De Luca Caterina , Sgariglia Roberta , Nacchio Mariantonia , Girolami Ilaria , Eccher Albino , Russo Antonio , Troncone Giancarlo , Malapelle Umberto 
Published: December 2020

BackgroundImmune‐checkpoint inhibitors (ICIs) represent an important treatment option for patients who have advanced stage non–small cell lung cancer (NSCLC). Currently, evaluation of the expression level of programmed death‐ligand 1 (PD‐L1) has proven highly successful as a positive predictive biomarker for ICIs. In addition to PD‐L1, other promising predictive biomarkers are emerging, including high tumor mutational burden (TMB‐H). However, measuring TMB‐H remains challenging for several reasons, among which is the difficulty in obtaining adequate tissue material from NSCLC patients. There are no data in the current literature regarding the possibility of adopting cell blocks (CBs) for TMB evaluation; therefore, our goal was to evaluate the feasibility of analyzing TMB on CBs.MethodsFor evaluation of differences in run metric parameters, 8 pairs of histological and CB samples from patients with NSCLC were analyzed using the Oncomine Tumor Mutational Load Assay on Ion Torrent S5 GS next‐generation sequencing (NGS) platform.ResultsMost CBs (6/8, 75.0%) were successfully analyzed by adopting the broad NGS panel approach. CBs provided results similar to those obtained on histological matched specimens in terms of median total reads (7207048.80 vs 7558817.80), median mapped reads (7075753.83 vs 7513822.00), median read lengths (115.50 vs. 113.00), median percentage of reads on‐target (97.49% vs. 98.45%), median average reads per amplicon (454.67 vs 476.14), and median uniformity of amplicon coverage (83.52% vs 84.13%).ConclusionIn this pilot study, we demonstrated the technical feasibility of assessing TMB on CBs.
The Science Library: Curation and visualization of a science gateway repository
Authors: Braines Dave , Stockdill‐Mander Jane , Lee Eunjin 
Published: December 2020

SummaryScientific publications from a group or consortium often form a coherent larger body of work with underlying threads and relationships. Rich social, structural, and topical networks between authors and organizations can be identified, and to convey these we have created the publicly available “Science Library” as a user‐centric, interactive portal. A key consideration in this endeavor is rapid and efficient curation of the corpus of publications, both in terms of assuring quality, as well minimizing the effort required. For this to be sustainable it must offer substantial benefits to the community and avoid excessive operational cost through cumbersome or complex processes. We describe the agility of the Science Library implementation as a controlled natural language (CNL) semantic knowledge graph and describe the different roles within the community to ensure efficient curation, validation, and provenance of the content. By describing the process of curation and validation, alongside the CNL‐based definition of the model we show how relatively non‐technical users are able to interact with, and contribute to the Science Library. This provides an extensible approach, initially based around digital library and virtual community capabilities, that can be applied more broadly to support other desired capabilities of Science Gateways.
Prognostic impacts of serum uric acid levels in patients with chronic heart failure: insights from the CHART‐2 study
Authors: Fujihashi Takahide , Sakata Yasuhiko , Nochioka Kotaro , Miura Masanobu , Abe Ruri , Kasahara Shintaro , Sato Masayuki , Aoyanagi Hajime , Yamanaka Shinsuke , Hayashi Hideka , Shiroto Takashi , Sugimura Koichiro , Takahashi Jun , Miyata Satoshi , Shimokawa Hiroaki ,   CHART‐2 Investigators
Published: December 2020

AbstractAimsPrognostic impacts of serum uric acid (UA) levels in patients with chronic heart failure (CHF) remain inconclusive, especially for the whole range of serum UA levels.Methods and resultsIn the Chronic Heart Failure Registry and Analysis in the Tohoku District‐2 (CHART‐2) study, we enrolled 4652 consecutive patients with CHF and classified them into four groups based on baseline serum UA levels by the Classification and Regression Tree: G1 (<3.8 mg/dL, N = 313), G2 (3.8–7.1 mg/dL, N = 3070), G3 (7.2–9.2 mg/dL, N = 1018), and G4 (>9.2 mg/dL, N = 251). Mean age was 71 ± 12, 69 ± 12, 68 ± 13, and 69 ± 15 years in G1, G2, G3, and G4, respectively (P < 0.001). During the median follow‐up of 6.3 years, in G1, G2, G3, and G4, 111 (35%), 905 (29%), 370 (36%), and 139 (55%) patients died and 79 (25%), 729 (24%), 300 (29%), and 115 (46%) experienced heart failure hospitalization, respectively (both P < 0.001). G1 was characterized by a significantly high prevalence of women as compared with G2, G3, and G4 (59%, 32%, 24%, and 23%, respectively). Serum creatinine levels (0.8 ± 0.4, 0.9 ± 0.4, 1.2 ± 0.6, and 1.4 ± 0.8 mg/dL, respectively), prevalence of atrial fibrillation (34%, 39%, 45%, and 50%, respectively), and diuretics use (36%, 45%, 67%, and 89%, respectively) increased from G1, G2, G3 to G4 (all P < 0.001), while left ventricular ejection fraction decreased from G1, G2, G3 to G4 (59 ± 15, 58 ± 15, 54 ± 15, and 52 ± 17%, respectively, P < 0.001). Multivariable Cox proportional hazards models showed that, as compared with G2, both G1 and G4 had increased incidence of all‐cause death [adjusted hazard ratio (aHR) 1.34, 95% confidence interval (CI) 1.08–1.67, P = 0.009; aHR 1.28, 95% CI 1.02–1.61, P = 0.037, respectively] and heart failure admission (aHR 1.39, 95% CI 1.09–1.78, P = 0.008 and aHR 1.35, 95% CI, 1.06–1.71, P = 0.014, respectively). This U‐shaped relationship was evident in the elderly patients. Furthermore, abnormal transitions to either higher or lower levels of serum UA from G2 were associated with increased mortality (aHR 1.29, 95% CI 1.06–1.57, P = 0.012; aHR 1.57, 95% CI 1.12–2.20, P = 0.009).ConclusionsThese results demonstrate that serum UA levels have the U‐shaped prognostic effects and abnormal transitions to either higher or lower levels are associated with poor prognosis in the elderly patients with CHF.
Nickel‐ and Palladium‐Catalyzed Cross‐Coupling of Aryl Fluorosulfonates and Phosphites: Synthesis of Aryl Phosphonates
Authors: Zhang Guofu , Wang Jing , Guan Chenfei , Zhao Yiyong , Ding Chengrong 
Published: December 2020

AbstractThe synthesis of aryl phosphonates via nickel and palladium‐catalyzed cross‐coupling of aryl fluorosulfonates and phosphites is described. The products were obtained in good to excellent yields under mild conditions with broad functional group compatibility, employing either Pd(OAc)2 and DPEPhos or the readily available NiCl2(dme) and Xantphos as catalytic systems. Noteworthily, the present C(sp2)−P bond formation method could be applied to the direct conversion of phenols to the corresponding aryl phosphonates in one pot via reaction of phenols with SO2F2 and subsequent palladium‐catalyzed cross‐coupling.
“On‐Resin” Disulfide Peptide Synthesis with Methyl 3‐Nitro‐2‐pyridinesulfenate
Authors: Kobayashi Kiyotaka , Taguchi Akihiro , Cui Yan , Shida Hayate , Muguruma Kyohei , Takayama Kentaro , Taniguchi Atsuhiko , Hayashi Yoshio 
Published: December 2020

AbstractNew methodologies for the construction of full peptide structures with all disulfide bonds on the resin are attractive for the development of solid phase peptide synthesis. Detailed reaction conditions for the on‐resin disulfide bond formation have been investigated using a mild and chemically stable oxidizing reagent, methyl 3‐nitro‐2‐pyridinesulfenate (Npys‐OMe). Monocyclic oxytocin, MCH and bicyclic α‐conotoxin ImI were synthesized in both semi‐automated and full‐automated protocols. It was found that on‐resin intramolecular disulfide bond formation with Npys‐OMe proceeds with the minimal formation of peptide oligomers by adopting a solvent system with 0.4 M LiCl/DMF. Crude peptides with complete disulfide bond patterns can be obtained in high purity using both protocols. This minimized the RP‐HPLC purification step and the desired peptides were obtained with better yields. To our knowledge, this is the first fully automated construction of a bicyclic disulfide peptide on resin with more than 50 % purity in Fmoc‐based SPPS. These results suggest that Npys‐OMe is a useful reagent for the disulfide bond formation in automated protocols.
EurJOC Going Virtual: Finding New Ways to Collaborate and Exchange Research!
Authors: Nijs Anne 
Published: December 2020

AbstractEditor Anne Nijs summarizes the unusual year of 2020 and highlights the newly launched virtual symposia that were held, as well as the special issues and collections that were published by the European Journal of Organic Chemistry in the last year. The entire editorial team thanks all our authors, reviewers, and readers for their continued trust and support.
Emotional traumatic experiences significantly contribute to identify a maltreated ecophenotype sub‐group in eating disorders: Experimental evidence
Authors: Monteleone Alessio Maria , Cascino Giammarco , Ruzzi Valeria , Pellegrino Francesca , Patriciello Giuseppina , Barone Eugenia , Carfagno Marco , Monteleone Palmiero , Maj Mario 
Published: December 2020

AbstractObjectiveEating disorders (EDs) are associated with a high prevalence of childhood maltreatment (CM). We aimed to experimentally assess if people with EDs and history of CM show altered biological, emotional and behavioural responses to the Trier Social Stress Test (TSST).MethodsAccording to Childhood Trauma Questionnaire cut‐off scores, 29 participants (14 with anorexia nervosa [AN] and 15 with bulimia nervosa [BN]) were classified as maltreated (Mal) ED participants while 19 participants (11 with AN and eight with BN) without CM were identified as no maltreated (noMal) ED participants. Cortisol, anxiety and hunger responses to TSST and post‐stress body dissatisfaction were measured.ResultsMal ED people showed heightened emotional reactivity, lower levels of hunger and more severe post‐stress body dissatisfaction in comparison with noMal ones. Higher cortisol production was observed in people with AN, regardless of CM history, and in those with BN and emotional CM. Emotional trauma was the main CM type contributing to the experimental differences observed in Mal ED people.ConclusionsThis is the first study providing experimental and multi‐level support to the maltreated ecophenoptype hypothesis in people with EDs. These findings may promote new insights into the biological bases of EDs and provide novel therapeutic implications.
Machinelearning‐basedmultimodal prediction of language outcomes in chronic aphasia
Authors: Kristinsson Sigfus , Zhang Wanfang , Rorden Chris , Newman‐Norlund Roger , Basilakos Alexandra , Bonilha Leonardo , Yourganov Grigori , Xiao Feifei , Hillis Argye , Fridriksson Julius 
Published: December 2020

AbstractRecent studies have combined multiple neuroimaging modalities to gain further understanding of the neurobiological substrates of aphasia. Following this line of work, the current study uses machine learning approaches to predict aphasia severity and specific language measures based on a multimodal neuroimaging dataset. A total of 116 individuals with chronic left‐hemisphere stroke were included in the study. Neuroimaging data included task‐based functional magnetic resonance imaging (fMRI), diffusion‐based fractional anisotropy (FA)‐values, cerebral blood flow (CBF), and lesion‐load data. The Western Aphasia Battery was used to measure aphasia severity and specific language functions. As a primary analysis, we constructed support vector regression (SVR) models predicting language measures based on (i) each neuroimaging modality separately, (ii) lesion volume alone, and (iii) a combination of all modalities. Prediction accuracy across models was subsequently statistically compared. Prediction accuracy across modalities and language measures varied substantially (predicted vs. empirical correlation range:r= .00–.67). The multimodal prediction model yielded the most accurate prediction in all cases (r= .53–.67). Statistical superiority in favor of the multimodal model was achieved in 28/30 model comparisons (p‐value range: <.001–.046). Our results indicate that different neuroimaging modalities carry complementary information that can be integrated to more accurately depict how brain damage and remaining functionality of intact brain tissue translate into language function in aphasia.
Identification and initial characterization of a potent inhibitor of ferroptosis
Authors: Kuganesan Nishanth , Dlamini Samkeliso , McDaniel Jade , Tillekeratne Viranga L. M. , Taylor William R. 
Published: December 2020

AbstractFerroptosis is a form of iron‐dependent cell death characterized by elevated lipid peroxides and reactive oxygen species (ROS). Glutathione (GSH) plays an essential role in scavenging ROS to maintain cell viability and acts as a cofactor of GSH peroxidase 4 (GPX4) that protects lipids from oxidation. We have previously described a novel class of small molecules that induce ferroptosis in certain types of cancer cells. These compounds induce ferroptosis by blocking the uptake of cystine required for GSH synthesis. Even though ferroptosis is a well‐established form of cell death, signaling pathways that modulate this process are not known. Therefore, we used a panel of growth factors/kinase inhibitors to test effects on ferroptosis induced by our lead compound. We discovered that BMS536924, a dual inhibitor of insulin‐like growth and insulin receptors, is a potent inhibitor of ferroptosis. Further investigation indicated that the anti‐ferroptotic activity of BMS536924 does not lie in its ability to inhibit insulin signal transduction. Instead, we provide evidence that BMS536924 binds iron, an essential cofactor in ferroptosis. Our results suggest caution in interpreting the effects of BMS536924 in investigations of insulin signaling and uncover a novel ferroptosis inhibitor.
Catalyst free sequential one‐pot reaction for the synthesis of 3‐indole propanoates/propanoic acid/propanamides as antituberculosis agents
Authors: Rajeev Narasimhamurthy , Sharath Kumar Kothanahally S. , Bommegowda Yadaganahalli K. , Rangappa Kanchugarakoppal S. , Sadashiva Marilinganadoddi P. 
Published: December 2020

AbstractA highly efficient catalyst free one pot four component synthesis of highly functionalized three‐substituted indole derivatives has been reported. Thus, sequential catalyst free condensation of readily available aldehydes with Meldrum's acid followed by Michael addition of indole resulting three carbon component condensed product and concurrent decarboxylation by the nucleophilic attack of ethanol/water/amines affords three‐indole propanoates/propanoic acid/propanamides in affordable yields. Further, synthesized compounds and standard drugs were evaluated against Mycobacterium tuberculosis H37Rv strain by Alamar blue assay method. Majority of the compounds exhibited the superior activity and specifically compound 4d has MIC 1.6 μg/ml, which is better than the reference drugs used.
Comparison of seven different reagents of peroxidase method for small and dense low density lipoprotein cholesterol (sdLDL‐C) measurement
Authors: Xuesong Fan , Enshi Wang , Jianxun He , Lei Zhang , Xiaoli Zeng , Hui Yuan 
Published: December 2020

AbstractBackgroundWe validated the performance of seven different reagents of peroxidase method for sdLDL‐C in two automatic analyzers that are common in Chinese laboratories.MethodsSeven commercially available sdLDL‐C assays were analyzed with the Beckman AU5400 and Mindray BS2000 automatic analyzers. A total of 336 blood samples were collected and the reference interval was also validated in 298 apparently healthy individuals. Serum samples were used for method comparison of precision, recovery, lower limit of detection, comparison and concurrence analysis, as well as reference interval for the Mindray reagent.ResultsThe repeatability CV% of the seven sdLDL‐C assays were 0.81%~3.66% for Mindray BS2000 and 0.76%~3.91% for Beckman AU5400, while Total CVs for Mindray BS2000 sdLDL‐C assay were 1.34%~4.81%, and that of Beckman AU5400 were 2.25%~10.33%. The measured recovery rates of sdLDL‐C assays were within the allowable ±10% deviation range. There was no obvious difference between the reagents in the lower limit detection. There was a difference between the validation results of the reference range and the manufacturer's.BSBE, Mindray, and Dongou had a high degree of association with DENKA SEIKEN on Mindray BS2000, while BSBE, Mindray, Dongou and Merit Choice had a high degree of association with DENKA SEIKEN on Beckman AU5400. Passing–Bablok regression showed excellent linear correlation between BSBE and Mindray and DENKA SEIKEN and on Beckman AU5400.ConclusionsOur results indicate that the basic performance can meet the testing requirements, but the comparability between them is still insufficient.
Cell dynamics in Hertwig's epithelial root sheath are regulated by β‐catenin activity during tooth root development
Authors: Yang Siqin , Choi Hwajung , Kim Tak‐Heun , Jeong Ju‐Kyung , Liu Yudong , Harada Hidemitsu , Cho Eui‐Sic 
Published: December 2020

Abstractβ‐catenin, a key mediator of Wnt signaling, plays multiple roles in tooth development. However, the role of β‐catenin in Hertwig's epithelial root sheath (HERS) during root formation remains unclear. In this study, we generated inducible tissue‐specific β‐catenin conditional knockout mice (Ctnnb1i∆shh) to investigate how β‐catenin in HERS affects tooth root development. The inactivation of β‐catenin in HERS led to interrupted root elongation due to premature disruption of HERS. This phenotype was accompanied by reduced cell‐cell adhesion and decreased expression of junctional proteins, as well as increased epithelial‐to‐mesenchymal transition of HERS cells upon β‐catenin depletion. Accordingly, stabilization of β‐catenin in HERS (Catnbi∆shh) led to the formation of unfragmented HERS and resulted in the failure of HERS dissociation, with increased expression of junctional proteins. Our results suggest that fine control of β‐catenin is important for HERS to guide root formation through regulating its structural integrity.