bluuebunny/crossref_metadata_2025_split huggingface dataset:
Retracted: Gut Microbiome Signatures of Risk and Prodromal Markers of Parkinson Disease
Authors: Heinzel Sebastian , Aho Velma T. E. , Suenkel Ulrike , von Thaler Anna‐Katharina , Schulte Claudia , Deuschle Christian , Paulin Lars , Hantunen Sari , Brockmann Kathrin , Eschweiler Gerhard W. , Maetzler Walter , Berg Daniela , Auvinen Petri , Scheperjans Filip 
Published: May 2020

Retraction: Heinzel, S. et al., Gut Microbiome Signatures of Risk and Prodromal Markers of Parkinson Disease, Annals of Neurology 2020, 88(2), 320‐331 (https://onlinelibrary.wiley.com/doi/10.1002/ana.25788). The above article, published online on May 22, 2020 in Wiley Online Library (wileyonlinelibrary.com), has been retracted by agreement between the authors, the journal Editor in Chief Clifford B. Saper, MD, PhD, and Wiley Periodicals LLC. The retraction has been agreed due to an unintentional extensive misuse of the term “physical activity” instead of “physical inactivity” throughout the paper. The errors have been corrected for clarity and republished here: https://doi.org/10.1002/ana.26128.
Cs2PtI6 Halide Perovskite is Stable to Air, Moisture, and Extreme pH: Application to Photoelectrochemical Solar Water Oxidation
Authors: Hamdan Muhammed , Chandiran Aravind Kumar 
Published: May 2020

AbstractHalide perovskites show incredible photovoltaic power conversion efficiency coupled with several hundreds of hours of device stability. However, their stability is poor in aqueous electrolyte media. Reported here is a vacancy ordered halide perovskite, Cs2PtI6, which shows extraordinary stability under ambient conditions (1 year), in aqueous media of extreme acidic (pH 1), basic (pH 13), and under electrochemical reduction conditions. It was employed as an electrocatalyst and photoanode for hydrogen production and water oxidation, respectively. The catalyst remains intact for at least 100 cycles of electrochemical cycling and six hours of hydrogen production at pH 1. Cs2PtI6 was employed as a photoanode for PEC water oxidation, and the material displayed a photocurrent of 0.8 mA cm−2 at 1.23 V (vs. RHE) under simulated AM1.5G sunlight. Using constant voltage measurement, Cs2PtI6 exhibited over 12 hours of PEC stability without loss of performance.
Fast and Stable N‐Terminal Cysteine Modification through Thiazolidino Boronate Mediated Acyl Transfer
Authors: Li Kaicheng , Wang Wenjian , Gao Jianmin 
Published: May 2020

AbstractWe report a novel conjugation of N‐terminal cysteines (NCys) that proceeds with fast kinetics and exquisite selectivity, thereby enabling facile modification of NCys‐bearing proteins in complex biological milieu. This new NCys conjugation proceeds via a thiazolidine boronate (TzB) intermediate that results from fast (k2: ≈5000 m−1 s−1) and reversible conjugation of NCys with 2‐formylphenylboronic acid (FPBA). We designed a FPBA derivative that upon TzB formation elicits intramolecular acyl transfer to give N‐acyl thiazolidines. In contrast to the quick hydrolysis of TzB, the N‐acylated thiazolidines exhibit robust stability under physiologic conditions. The utility of the TzB‐mediated NCys conjugation is demonstrated by rapid and non‐disruptive labeling of two enzymes. Furthermore, applying this chemistry to bacteriophage allows facile chemical modification of phage libraries, which greatly expands the chemical space amenable to phage display.
Precision Conjugation: An Emerging Tool for Generating Protein–Polymer Conjugates
Authors: Liu Xinyu , Gao Weiping 
Published: May 2020

AbstractProtein–polymer conjugates are increasingly being applied in biomedicine because of the unique combination of the biological activity of the proteins and the multifunctionality and flexibility of the polymers. However, traditional protein–polymer conjugation techniques suffer from some unavoidable drawbacks, including nonspecificity and low efficiency. In this Minireview, we discuss a new approach based on “precision conjugation” for the construction of the next‐generation protein–polymer conjugates in a more controlled, more efficient, and tailorable fashion for a broad range of advanced applications. In illustrating the concept, we highlight two general methods: site‐specific in situ growth and intrinsically disordered polypeptide fusion, with a focus on the in situ, efficient, and controllable formation of protein–polymer conjugates. At the end, the challenges associated with this emerging concept are further discussed.
Bridge Bonded Oxygen Ligands between Approximated FeN4 Sites Confer Catalysts with High ORR Performance
Authors: Gong Liyuan , Zhang Hao , Wang Ying , Luo Ergui , Li Kui , Gao Liqin , Wang Yuemin , Wu Zhijian , Jin Zhao , Ge Junjie , Jiang Zheng , Liu Changpeng , Xing Wei 
Published: May 2020

AbstractThe applications of the most promising Fe—N–C catalysts are prohibited by their limited intrinsic activities. Manipulating the Fe energy level through anchoring electron‐withdrawing ligands is found effective in boosting the catalytic performance. However, such regulation remains elusive as the ligands are only uncontrollably introduced oweing to their energetically unstable nature. Herein, we report a rational manipulation strategy for introducing axial bonded O to the Fe sites, attained through hexa‐coordinating Fe with oxygen functional groups in the precursor. Moreover, the O modifier is stabilized by forming the Fe−O−Fe bridge bond, with the approximation of two FeN4 sites. The energy level modulation thus created confers the sites with an intrinsic activity that is over 10 times higher than that of the normal FeN4 site. Our finding opens a novel strategy to manage coordination environments at an atomic level for high activity ORR catalysts.
Selection of DNA‐Encoded Dynamic Chemical Libraries for Direct Inhibitor Discovery
Authors: Deng Yuqing , Peng Jianzhao , Xiong Feng , Song Yinan , Zhou Yu , Zhang Jianfu , Lam Fong Sang , Xie Chao , Shen Wenyin , Huang Yiran , Meng Ling , Li Xiaoyu 
Published: May 2020

AbstractDynamic combinatorial libraries (DCLs) is a powerful tool for ligand discovery in biomedical research; however, the application of DCLs has been hampered by their low diversity. Recently, the concept of DNA encoding has been employed in DCLs to create DNA‐encoded dynamic libraries (DEDLs); however, all current DEDLs are limited to fragment identification, and a challenging process of fragment linking is required after selection. We report an anchor‐directed DEDL approach that can identify full ligand structures from large‐scale DEDLs. This method is also able to convert unbiased libraries into focused ones targeting specific protein classes. We demonstrated this method by selecting DEDLs against five proteins, and novel inhibitors were identified for all targets. Notably, several selective BD1/BD2 inhibitors were identified from the selections against bromodomain 4 (BRD4), an important anti‐cancer drug target. This work may provide a broadly applicable method for inhibitor discovery.
Synthesis of LnII‐in‐Cryptand Complexes by Chemical Reduction of LnIII‐in‐Cryptand Precursors: Isolation of a NdII‐in‐Cryptand Complex
Authors: Huh Daniel N. , Ciccone Sierra R. , Bekoe Samuel , Roy Saswata , Ziller Joseph W. , Furche Filipp , Evans William J. 
Published: May 2020

AbstractLanthanide triflates have been used to incorporate NdIII and SmIII ions into the 2.2.2‐cryptand ligand (crypt) to explore their reductive chemistry. The Ln(OTf)3 complexes (Ln=Nd, Sm; OTf=SO3CF3) react with crypt in THF to form the THF‐soluble complexes [LnIII(crypt)(OTf)2][OTf] with two triflates bound to the metal encapsulated in the crypt. Reduction of these LnIII‐in‐crypt complexes using KC8 in THF forms the neutral LnII‐in‐crypt triflate complexes [LnII(crypt)(OTf)2]. DFT calculations on [NdII(crypt)]2+], the first NdII cryptand complex, assign a 4f4 electron configuration to this ion.
Al2Pt for Oxygen Evolution in Water Splitting: A Strategy for Creating Multifunctionality in Electrocatalysis
Authors: Antonyshyn Iryna , Barrios Jiménez Ana M. , Sichevych Olga , Burkhardt Ulrich , Veremchuk Igor , Schmidt Marcus , Ormeci Alim , Spanos Ioannis , Tarasov Andrey , Teschner Detre , Algara‐Siller Gerardo , Schlögl Robert , Grin Yuri 
Published: May 2020

AbstractThe production of hydrogen via water electrolysis is feasible only if effective and stable catalysts for the oxygen evolution reaction (OER) are available. Intermetallic compounds with well‐defined crystal and electronic structures as well as particular chemical bonding features are suggested here to act as precursors for new composite materials with attractive catalytic properties. Al2Pt combines a characteristic inorganic crystal structure (anti‐fluorite type) and a strongly polar chemical bonding with the advantage of elemental platinum in terms of stability against dissolution under OER conditions. We describe here the unforeseen performance of a surface nanocomposite architecture resulting from the self‐organized transformation of the bulk intermetallic precursor Al2Pt in OER.
Gold(I)/Gold(III) Catalysis that Merges Oxidative Addition and π‐Alkene Activation
Authors: Rigoulet Mathilde , Thillaye du Boullay Olivier , Amgoune Abderrahmane , Bourissou Didier 
Published: May 2020

AbstractHeteroarylation of alkenes with aryl iodides was efficiently achieved with a (MeDalphos)AuCl complex through AuI/AuIIIcatalysis. The possibility to combine oxidative addition of aryl iodides and π‐activation of alkenes at gold is demonstrated for the first time. The reaction is robust and general (>30 examples including internal alkenes, 5‐, 6‐, and 7‐membered rings). It is regioselective and leads exclusively totransaddition products. The (P,N) gold complex is most efficient with electron‐rich aryl substrates, which are troublesome with alternative photoredox/oxidative approaches. In addition, it provides a very unusual switch in regioselectivity from 5‐exoto 6‐endocyclization between the Z and E isomers of internal alkenols.
CoFly: A gene coexpression database for the fruit fly Drosophila melanogaster
Authors: Liu Wei , Wang Yanan , He Huaqin 
Published: May 2020

AbstractThe fruit fly Drosophila melanogaster can be used as a model organism for studying various problems in biomedicine and pest management. A large number of fruit fly transcriptomes have been profiled in various cell types, tissues, development stages, toxicological exposures, and other conditions by microarray. Until now, there are still no database developed for exploring those precious data. Microarray data for 4,367 samples from National Center for Biotechnology Information Gene Expression Omnibus was collected, and analyzed by weighted gene coexpression network analysis algorithm. Fifty one gene coexpression modules that are related to cell types, tissues, development stages, and other experimental conditions were identified. The high dimensional gene expression was reduced to tens of modules that were associated with experiments/traits, representing signatures for phenotypes. Six modules were enriched with genomic regions of clustered genes. Hub genes could also be screened by intramodule connectivity. By analyzing higher order module networks, we found that cell signaling modules are more connected than other modules. Module‐based gene function identification may help to discover novel gene function. An easy‐to‐use database was developed, which provides a new source for gene function study in the fruit fly (http://bioinformatics.fafu.edu.cn/fly/).
Quotas, and Anti‐discrimination Policies Relating to Autism in the EU: Scoping Review and Policy Mapping in Germany, France, Netherlands, United Kingdom, Slovakia, Poland, and Romania
Authors: Bunt Danielle , van Kessel Robin , Hoekstra Rosa A. , Czabanowska Katarzyna , Brayne Carol , Baron‐Cohen Simon , Roman‐Urrestarazu Andres 
Published: May 2020

The low employment rates of persons with Autism Spectrum Conditions in the European Union (EU) are partly due to discrimination. Member States have taken different approaches to increase the employment rate in the recent decades, including quota and anti‐discrimination legislation, however, the implications for people with autism are unknown. The purpose of this scoping review was to provide a comprehensive overview of the history of these employment policies, from seven EU Member States (Germany, France, the Netherlands, the United Kingdom [prior to exit], Slovakia, Poland, and Romania), exploring the interdependence on international and EU policies, using a path dependency analysis. The results indicate that internationally a shift in focus has taken place in the direction of anti‐discrimination law, though employment quotas remained in place in six out of the seven Member States as a means to address employment of people with disability in combination with the new anti‐discrimination laws.Lay summaryDiscrimination is partially responsible for the low employment of people with autism. Several approaches have been taken in recent years, such as anti‐discrimination laws and setting a mandatory number of people with disabilities that need to be employed. This study finds that, internationally and in the European Union, the focus was initially on the use of quotas and gradually moved to anti‐discrimination, with both being used simultaneously. Autism Res 2020, 13: 1397–1417. © 2020 The Authors. Autism Research published by International Society for Autism Research published by Wiley Periodicals, Inc.
Inhibition of human UDP‐glucuronosyltransferase enzymes by midostaurin and ruxolitinib: implications for drug–drug interactions
Authors: Wang Zhe , Wang Xiaoyu , Jia Yaqin , Yin Hang , Feng Yuyi , Jiang Lili , Cao Jun , Liu Yong 
Published: May 2020

AbstractCancer therapy with tyrosine kinase inhibitors (TKIs) is a rapidly developing field, and several TKIs have been reported to have an impact on the activities of UDP‐glucosyltransferases (UGTs), implying a potential risk for drug–drug interaction (DDI). Herein, we investigated the inhibitory effects of two commonly used TKIs, midostaurin and ruxolitinib, on human UGTs and quantitatively evaluated their DDI potential via UGT inhibition. It was found that midostaurin was a potent inhibitor of the majority of human UGTs, including UGT1A3, 1A4, 1A7, 1A8, 1A9, 1A10, 2B7, 2B15, and 2B17, with IC50 values lower than 4 μM (IC50 0.0128–3.85 μM), while ruxolitinib exhibited weak inhibition towards the activity of almost all the tested UGT isoforms. Furthermore, based on reversible inhibition, the co‐administration of midostaurin at the clinical available dose was predicted to increase the plasma exposure to sensitive UGT1A3, 1A7, and 1A8 substrates by at least 61.4%, 25.6%, and 651%, respectively. In summary, our data identify that midostaurin is a potent inhibitor of the majority of human UGTs and may bring a potential risk of DDI via inhibition against UGT1A3, 1A7, and 1A8, while ruxolitinib cannot trigger UGT‐mediated DDI due to its weak inhibition towards UGTs.
Educational interactive vector simulation of water table control designs using LabView
Authors: Allawi Faridoun A. M. 
Published: May 2020

AbstractThis research study spots the light on the possibility of approximating the Fourier series solutions, of the partial differential equations that are used for the design and control of different water table management practices, by a single quadratic vector equation which can very simply take into consideration all various soil hydrological and boundary conditions of any water table management design. To achieve this task, an educational interactive LabView program is designed for the quadratic vector simulation of the water table control (WTC) designs. The program is mathematically based on two types of equations, the linearized form of the Boussinesq equation and the “approximate” quadratic interpolation function vector equation. The program enabled the ease of use, offered an interesting interactive graphical visualization, and provided a high degree of accuracy of the results, which made the program very suitable for teaching and learning. All WTC designs are included in one single LabView graphical user interface representing a typical cross‐section design of a pipe drainage field between irrigation and drainage canals. The WTC designs performed in this virtual cross‐sectional field and simulated in the interface are activated by using LabView digital controllers simulating switches, pumps, valves, a water table sensor, a tensiometer for checking soil‐water stress, and (irrigation/drainage) field pipes. Several numerical design examples solved by the program indicated the exactness and suitability of using the parametric vector simulation for the design of WTC designs.
Long noncoding RNA Airn protects podocytes from diabetic nephropathy lesions via binding to Igf2bp2 and facilitating translation of Igf2 and Lamb2
Authors: Jing Fengying , Zhao Jin , Jing Xu , Lei Gao 
Published: May 2020

AbstractDiabetic nephropathy (DN) is a severe diabetic microvascular complication with high mortality. Long noncoding RNAs (lncRNAs) are characterized as important regulators of various biological processes by emerging researches, whereas the molecular mechanisms by which lncRNAs participate in DN progression need to be further clarified. Herein, we conducted a study on the regulatory role in DN of an lncRNA named antisense of Igf2r non‐protein‐coding RNA (Airn). Airn expression was downregulated in renal tissues of diabetic mice, and was negatively related with DN development. Besides, Airn downregulation was detected in high‐glucose‐stimulated podocytes, resulting in poorer cell viability, a higher tendency to cell apoptosis, and a deficiency of laminin level, while Airn overexpression could significantly alleviate these deleterious effects. Mechanistically, using RNA immunoprecipitation and RNA pull‐down assays, we found that Airn could bind to the RNA‐binding protein Igf2bp2, thus facilitating translation of Igf2 and Lamb2 to maintain normal podocyte viability and glomerular barrier function. Collectively, our results demonstrate the protective role of lncRNA Airn in podocytes against DN, providing a new insight into DN pathogenesis and molecular therapy.
TNF‐α regulates the early development of avascular necrosis of the femoral head by mediating osteoblast autophagy and apoptosis via the p38 MAPK/NF‐κB signaling pathway
Authors: Zheng Li‐Wen , Wang Wan‐Chun , Mao Xin‐Zhan , Luo Yong‐Heng , Tong Zhong‐Yi , Li Ding 
Published: May 2020

AbstractPrevious studies have shown that the tumor necrosis factor‐α (TNF‐α) levels in serum and bone tissues formed in avascular necrosis of femoral head (ANFH) patients were higher than those of normal individuals, indicating TNF‐α might play a role in the pathogenesis of ANFH. However, the underlying mechanisms remain unclear. Hematoxylin and eosin staining was performed to show the pathological changes of ANFH bone tissues. TNF‐α expression in normal and ANFH tissues was examined by quantitative real‐time polymerase chain reaction and western blot analyses. Osteoblast autophagy and apoptosis, as well as signaling pathways activation, were measured by their corresponding marker proteins. Osteoblast proliferation, autophagy, and apoptosis were evaluated using cell counting kit‐8, transmission electron microscopy, and flow cytometry. The structures of bone tissues of ANFH were obviously damaged. TNF‐α expression was significantly upregulated in ANFH bone tissues compared to normal tissues. Autophagy and apoptosis were remarkably promoted, and p38 mitogen‐activated protein kinase (MAPK)/nuclear factor‐κB (NF‐κB) signaling pathways were markedly activated in ANFH. Suppression of the p38 MAPK/NF‐κB pathway significantly attenuated the TNF‐α‐induced autophagy, however, enhanced the TNF‐α‐induced apoptosis in osteoblasts. Increased TNF‐α in ANFH regulated osteoblast autophagy and apoptosis by p38 MAPK/NF‐κB signaling pathways, blocking the pathway by inhibitors exacerbated TNF‐α‐induced apoptosis through impairing autophagy flux.
Impact of bleeding after transcatheter aortic valve replacement in patients with chronic kidney disease
Authors: Li Shawn X. , Patel Nilay K. , Flannery Laura D. , Cigarroa Ricardo J. , Shaqdan Ayman W. , Erickson Phoebe , Tavil‐Shatelyan Arpi , Moses Alexandra , Inglessis Ignacio , Elmariah Sammy 
Published: May 2020

AbstractObjectiveIn patients with chronic kidney disease (CKD) undergoing transcatheter aortic valve replacement (TAVR), this study aims to elucidate (a) the bleeding risks associated with CKD, (b) the association between bleeding and subsequent mortality, and (c) the pattern of antithrombotic therapy prescribed.BackgroundPatients with CKD have a higher risk of bleeding following TAVR. It is unclear whether this risk persists beyond the periprocedural period and whether it negatively impacts mortality.MethodsA retrospective review was performed on patients who underwent TAVR at Massachusetts General Hospital from 2008 to 2017. CKD was defined as estimated glomerular filtration rate less than 60 ml/min/1.73 m2. Primary endpoints up to 1‐year following TAVR included bleeding, all‐cause mortality, and ischemic stroke. Outcomes for patients with and without CKD were compared using log‐rank test, and Cox regression with age, sex, and diabetes as covariates. Bleeding was treated as a time‐varying covariate, and Cox proportional hazard regression was utilized to model mortality.ResultsOf the 773 patients analyzed, 466 (60.3%) had CKD. At 1 year, CKD patients had higher rates of bleeding (9.2 vs. 4.9%, adjusted hazard ratios [aHR] = 1.91, p = .032) and all‐cause mortality (13.7 vs. 9.1%, aHR = 1.57, p = .049), but not stroke (3.9 vs. 1.6% aHR = 0.073, p = .094). Bleeding was associated with an increased risk of subsequent mortality (aHR = 2.65, 95% CI: 1.25–5.63, p = .01). There were no differences in the antithrombotic strategy following TAVR between CKD and non‐CKD patients.ConclusionCKD is associated with a higher risk of bleeding up to 1 year following TAVR. Long‐term bleeding after TAVR is associated with increased subsequent mortality.
Two‐stage approach for the inference of the source of high‐dimensional and complex chemical data in forensic science
Authors: Ausdemore Madeline A. , Neumann Cedric , Saunders Christopher P. , Armstrong Douglas , Muehlethaler Cyril 
Published: May 2020

AbstractForensic chemists are often criticised for the lack of quantitative support for the conclusions of their examinations. While scholars advocate for the use of a Bayes factor to quantify the weight of forensic evidence, it is often impossible to assign the necessary probability measures to perform likelihood‐based inference on chemical data. To address this issue, we leverage the properties of kernel functions to offer a method that allows for statistically supporting the inference of the identity of source of sets of trace and control objects by way of a single test. Our method is generic in that it can be easily tailored to any type of data encountered in forensic chemistry, and our method does not depend on the dimension or the type of the considered data. The application of our method to paint evidence analysed by FTIR shows that this type of evidence carries substantial probative value. Finally, our approach can easily be extended to other types of chemical evidence such as glass, fibres, and dust.
Germacrene A–A Central Intermediate in Sesquiterpene Biosynthesis
Authors: Xu Houchao , Dickschat Jeroen S. 
Published: May 2020

AbstractThis review summarises known sesquiterpenes whose biosyntheses proceed through the intermediate germacrene A. First, the occurrence and biosynthesis of germacrene A in Nature and its peculiar chemistry will be highlighted, followed by a discussion of 6–6 and 5–7 bicyclic compounds and their more complex derivatives. For each compound the absolute configuration, if it is known, and the reasoning for its assignment is presented.