bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copy number variation burden does not predict severity of neurodevelopmental phenotype in children with a sex chromosome trisomy
Authors: Mountford Hayley S. , Bishop Dorothy V. M. , Thompson Paul A. , Simpson Nuala H. , Newbury Dianne F. 
Published: May 2020

AbstractSex chromosome trisomies (SCTs) (XXX, XXY, and XYY karyotypes) are associated with an elevated risk of neurodevelopmental disorders. The range of severity of the phenotype is substantial. We considered whether this variable outcome was related to the presence of copy number variants (CNVs)—stretches of duplicated or deleted DNA. A sample of 125 children with an SCT were compared with 181 children of normal karyotype who had been given the same assessments. First, we compared the groups on measures of overall CNV burden: number of CNVs, total span of CNVs, and likely functional impact (probability of loss‐of‐function intolerance, pLI, summed over CNVs). Differences between groups were small relative to within‐group variance and not statistically significant on overall test. Next, we considered whether a measure of general neurodevelopmental impairment was predicted by pLI summed score, SCT versus comparison group, or the interaction between them. There was a substantial effect of SCT/comparison status but the pLI score was not predictive of outcomes in either group. We conclude that variable presence of CNVs is not a likely explanation for the wide phenotypic variation in children with SCTs. We discuss methodological challenges of testing whether CNVs are implicated in causing neurodevelopmental problems.
Metabolic and cardiovascular risk factors in Klinefelter syndrome
Authors: Spaziani Matteo , Radicioni Antonio F. 
Published: May 2020

AbstractKlinefelter syndrome (KS), which normally presents with a 47,XXY karyotype, is the most common sex chromosome disorder in males. It is also the most common genetic cause of male infertility. KS subjects are typically tall, with small and firm testes, gynecomastia, broad hips, and sparse body hair, although a less evident presentation is also possible. KS is also characterized by a high prevalence of hypogonadism, metabolic syndrome (MetS) and cardiovascular disease. The aim of this article is to systematically review metabolic and the cardiovascular risk factors in KS patients. Hypogonadism has an important role in the pathogenesis of the changes in body composition (particularly visceral obesity) and hence of insulin resistance and MetS, but the association between KS and MetS may go beyond hypogonadism alone. From childhood, KS patients may show an increase in visceral fat with a reduction in lean body mass and an increase in glucose and impaired fat metabolism. Their increased incidence of congenital anomalies, epicardial adipose tissue, and thromboembolic disease suggests they have a higher risk of cardiovascular disease. There is conflicting evidence on the effects of testosterone therapy on body composition and metabolism.
A 2‐Tyr‐1‐carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase
Authors: Arya Chetan Kumar , Yadav Swati , Fine Jonathan , Casanal Ana , Chopra Gaurav , Ramanathan Gurunath , Vinothkumar Kutti R. , Subramanian Ramaswamy 
Published: May 2020

AbstractN,N‐dimethyl formamide (DMF) is an extensively used organic solvent but is also a potent pollutant. Certain bacterial species from genera such as Paracoccus, Pseudomonas, and Alcaligenes have evolved to use DMF as a sole carbon and nitrogen source for growth via degradation by a dimethylformamidase (DMFase). We show that DMFase from Paracoccus sp. strain DMF is a halophilic and thermostable enzyme comprising a multimeric complex of the α2β2 or (α2β2)2 type. One of the three domains of the large subunit and the small subunit are hitherto undescribed protein folds of unknown evolutionary origin. The active site consists of a mononuclear iron coordinated by two Tyr side‐chain phenolates and one carboxylate from Glu. The Fe3+ ion in the active site catalyzes the hydrolytic cleavage of the amide bond in DMF. Kinetic characterization reveals that the enzyme shows cooperativity between subunits, and mutagenesis and structural data provide clues to the catalytic mechanism.
Covalent Assembly of MoS2 Nanosheets with SnS Nanodots as Linkages for Lithium/Sodium‐Ion Batteries
Authors: Ru Jiajia , He Ting , Chen Binjie , Feng Yutong , Zu Lianhai , Wang Zhijun , Zhang Qiaobao , Hao Tianzi , Meng Ruijin , Che Renchao , Zhang Chi , Yang Jinhu 
Published: May 2020

AbstractWeak van der Waals interactions between interlayers of two‐dimensional layered materials result in disabled across‐interlayer electron transfer and poor layered structural stability, seriously deteriorating their performance in energy applications. Herein, we propose a novel covalent assembly strategy for MoS2 nanosheets to realize unique MoS2/SnS hollow superassemblies (HSs) by using SnS nanodots as covalent linkages. The covalent assembly based on all‐inorganic and carbon‐free concept enables effective across‐interlayer electron transfer, facilitated ion diffusion kinetics, and outstanding mechanical stability, which are evidenced by experimental characterization, DFT calculations, and mechanical simulations. Consequently, the MoS2/SnS HSs exhibit superb rate performance and long cycling stability in lithium‐ion batteries, representing the best comprehensive performance in carbon‐free MoS2‐based anodes to date. Moreover, the MoS2/SnS HSs also show excellent sodium storage performance in sodium‐ion batteries.
Katalytische enantioselektive Sulfenofunktionalisierung von Alkenen: Entwicklung und aktuelle Fortschritte
Authors: Matviitsuk Anastassia , Panger Jesse L. , Denmark Scott E. 
Published: May 2020

AbstractIn den letzten Jahren wurden vielzählige Methoden für die enantioselektive vicinale Difunktionalisierung von Alkenen durch elektrophilen Sulfenylgruppentransfer vorgestellt. Die Addition von Sulfeniumionen an Alkene resultiert in der Bildung chiraler, nicht‐racemischer Thiiraniumionen. Diese hoch reaktiven Zwischenstufen reagieren mit zahlreichen Nukleophilen in einem stereospezifischen Ringöffnungsereignis, umanti‐1,2‐sulfenofunktionalisierte Produkte zu liefern. Die praktische Anwendung des Sulfeniumionentransfers wurde durch Fortschritte auf dem Gebiet der Lewis‐Base‐Katalyse ermöglicht. Dieser Aufsatz beginnt mit einer Schilderung der ursprünglichen Entdeckung und Charakterisierung der Thiiraniumionen als Reaktionszwischenstufen, daran schließen sich Ausführungen zu ihrer konfigurativen Stabilität und den Herausforderungen bei der Entwicklung enantioselektiver Varianten an. Basierend auf den Grundprinzipien der Reaktivität und Stabilität der Thiiraniumionen wird eine kritische Analyse grundlegender Studien vorgenommen. Abschließend folgt eine umfassende Diskussion moderner Anwendungen in der Synthese, unterteilt nach Art des für die Sulfenofunktionalisierung eingesetzten Nukleophils.
Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling
Authors: Tsai Cheng‐Che , Sandford Christopher , Wu Tao , Chen Buyun , Sigman Matthew S. , Toste F. Dean 
Published: May 2020

AbstractThe mode of asymmetric induction in an enantioselective intramolecular allylic substitution reaction catalyzed by a combination of palladium and a chiral phosphoric acid was investigated by a combined experimental and statistical modeling approach. Experiments to probe nonlinear effects, the reactivity of deuterium‐labeled substrates, and control experiments revealed that nucleophilic attack to the π‐allylpalladium intermediate is the enantio‐determining step, in which the chiral phosphate anion is involved in stereoinduction. Using multivariable linear regression analysis, we determined that multiple noncovalent interactions with the chiral environment of the phosphate anion are integral to enantiocontrol in the transition state. The synthetic protocol to form chiral pyrrolidines was further applied to the asymmetric construction of C−O bonds at fully substituted carbon centers in the synthesis of chiral 2,2‐disubstituted benzomorpholines.
Carbon Dots in Porous Materials: Host–Guest Synergy for Enhanced Performance
Authors: Zhang Hongyue , Wang Bolun , Yu Xiaowei , Li Jiyang , Shang Jin , Yu Jihong 
Published: May 2020

AbstractCarbon dots (CDs) are emerging as a new class of carbon nanomaterials, which have inspired growing interest for their widespread applications in anti‐counterfeiting, sensing, bioimaging, optoelectronic and energy‐related fields. In terms of the concept of host–guest assembly, immobilizing CDs into porous materials (PMs) has proven to be an effective strategy to avoid the aggregation of bare CDs in solid state, in particular, the host—guest synergy with both merits of CDs and PMs affords composites promising properties in afterglow and tunable emissions, as well as optimizes their performance in optics, catalysis, and energy storage. This Minireview summarizes the recent progress in the research of CDs@PMs, and highlights synthetic strategies of constructing composites and roles of porous matrices in boosting the applications of CDs in diverse areas. The prospect of future exploration and challenges are proposed for designing advanced CDs‐based functional nanocomposite materials.
Holey Lamellar High‐Entropy Oxide as an Ultra‐High‐Activity Heterogeneous Catalyst for Solvent‐free Aerobic Oxidation of Benzyl Alcohol
Authors: Feng Danyang , Dong Yangbo , Zhang Liangliang , Ge Xin , Zhang Wei , Dai Sheng , Qiao Zhen‐An 
Published: May 2020

AbstractThe development of noble‐metal‐free heterogeneous catalysts is promising for selective oxidation of aromatic alcohols; however, the relatively low conversion of non‐noble metal catalysts under solvent‐free atmospheric conditions hinders their industrial application. Now, a holey lamellar high entropy oxide (HEO) Co0.2Ni0.2Cu0.2Mg0.2Zn0.2O material with mesoporous structure is prepared by an anchoring and merging process. The HEO has ultra‐high catalytic activity for the solvent‐free aerobic oxidation of benzyl alcohol. Up to 98 % conversion can be achieved in only 2 h, to our knowledge, the highest conversion of benzyl alcohol by oxidation to date. By regulating the catalytic reaction parameters, benzoic acid or benzaldehyde can be selectively optimized as the main product. Analytical characterizations and calculations provide a deeper insight into the catalysis mechanism, revealing abundant oxygen vacancies and holey lamellar framework contribute to the ultra‐high catalytic activity.
Catalytic, Enantioselective Sulfenofunctionalization of Alkenes: Development and Recent Advances
Authors: Matviitsuk Anastassia , Panger Jesse L. , Denmark Scott E. 
Published: May 2020

AbstractThe last decade has witnessed a burgeoning of new methods for the enantioselective vicinal difunctionalization of alkenes initiated by electrophilic sulfenyl group transfer. The addition of sulfenium ions to alkenes results in the generation of chiral, non‐racemic thiiranium ions. These highly reactive intermediates are susceptible to attack by a myriad of nucleophiles in a stereospecific ring‐opening event to affordanti1,2‐sulfenofunctionalized products. The practical application of sulfenium ion transfer has been enabled by advances in the field of Lewis base catalysis. This Review will chronicle the initial discovery and characterization of thiiranium ion intermediates followed by the determination of their configurational stability and the challenges of developing enantioselective variants. Once the framework for the reactivity and stability of thiiranium ions has been established, a critical analysis of pioneering studies will be presented. Finally, a comprehensive discussion of modern synthetic applications will be categorized around the type of nucleophile employed for sulfenofunctionalization.
2D Conductive Metal–Organic Frameworks: An Emerging Platform for Electrochemical Energy Storage
Authors: Liu Jingjuan , Song Xiaoyu , Zhang Ting , Liu Shiyong , Wen Herui , Chen Long 
Published: May 2020

AbstractTwo‐dimensional conductive metal–organic frameworks (2D c‐MOFs) as an emerging class of multifunctional materials have attracted extensive attention due to their predictable and diverse structures, intrinsic permanent porosity, high charge mobility, and excellent electrical conductivity. Such unique characteristics render them as a promising new platform for electrical related devices. This Minireview highlights the recent key progress of 2D c‐MOFs with emphasis on the design strategies, unique electrical properties, and potential applications in electrochemical energy storage. The thorough elucidation of structure–function correlations may offer a guidance for the development of 2D c‐MOFs based next‐generation energy storage devices.
Atomic‐Scale Insight into Exsolution of CoFe Alloy Nanoparticles in La0.4Sr0.6Co0.2Fe0.7Mo0.1O3−δ with Efficient CO2 Electrolysis
Authors: Lv Houfu , Liu Tianfu , Zhang Xiaomin , Song Yuefeng , Matsumoto Hiroaki , Ta Na , Zeng Chaobin , Wang Guoxiong , Bao Xinhe 
Published: May 2020

AbstractIn situ exsolution of metal nanoparticles in perovskite under reducing atmosphere is employed to generate a highly active metal–oxide interface for CO2 electrolysis in a solid oxide electrolysis cell. Atomic‐scale insight is provided into the exsolution of CoFe alloy nanoparticles in La0.4Sr0.6Co0.2Fe0.7Mo0.1O3−δ (LSCFM) by in situ scanning transmission electron microscopy (STEM) with energy‐dispersive X‐ray spectroscopy and DFT calculations. The doped Mo atoms occupy B sites of LSCFM, which increases the segregation energy of Co and Fe ions at B sites and improves the structural stability of LSCFM under a reducing atmosphere. In situ STEM measurements visualized sequential exsolution of Co and Fe ions, formation of CoFe alloy nanoparticles, and reversible exsolution and dissolution of CoFe alloy nanoparticles in LSCFM. The metal–oxide interface improves CO2 adsorption and activation, showing a higher CO2 electrolysis performance than the LSCFM counterparts.
Ancient Hermione revealed: the contribution of high‐performance computing and digital methods to the analysis of a hidden cityscape
Authors: Landeschi Giacomo , Lindgren Stefan , Gerding Henrik , Papadimitriou Alcestis , Wallensten Jenny 
Published: May 2020

AbstractThis article explores the potential of combining high‐performance computing techniques and a set of integrated digital methods to investigate the cityscape of ancient Hermione, Greece. Unmanned aerial vehicles (UAVs), terrestrial laser scanning, image‐based modelling techniques and high‐performance computing have been combined to provide a fully‐three‐dimensional (3D) representation of the city landscape, which encompasses both the topography and those still visible archaeological features, which are nowadays annexed into the modern buildings. As a consequence, the resulting geo‐located digital platform is now opening up interesting opportunities for research, such as the possibility to analyse spatial interconnections between sacred buildings, to formulate hypotheses about their location and to put them in comparison with the accounts made by historical sources. By taking advantage both of an entirely‐3D reconstruction and the analytic tools provided by geographical information systems (GISs), more sophisticated analyses can now be performed and specific issues such as visual perception and movement to and from prominent buildings/spaces can now be investigated.
Desulfurization on Boron Nitride and Boron Nitride‐based Materials
Authors: Rajendran Antony , Fan Hong‐Xia , Feng Jie , Li Wen‐Ying 
Published: May 2020

AbstractCombustion of liquid fuels containing sulfur compounds is highly unfavorable due to the adverse effects caused by the resultant SOx emission. Consequently, catalytic and adsorptive materials having the capacity to eliminate the sulfur compounds from liquid fuels are very attractive. Hexagonal boron nitride (BN), with its interesting chemical and physical properties, finds applications in diverse fields, especially in energy and environmental applications. Recently, BN and BN‐based materials have gained significant interest in emerging desulfurization processes such as oxidative desulfurization and adsorptive desulfurization. In this review, BN and BN‐based materials are elaborately discussed in the context of their use in various desulfurization techniques. A brief description about the different desulfurization processes is provided at the outset. The relationship between the characteristics (the defects, morphology, porosity and surface area) of BN and desulfurization efficiency is also summarized. Furthermore, the mechanistic insights regarding the action of BN materials in the desulfurization processes are discussed. With this review, the synthetic strategies for designing the novel BN‐based catalysts/adsorbents for the effective desulfurization of liquid fuels can be grasped.
Global stability at a limit cycle for switched multi‐valued logical networks
Authors: Sun Pengfei , Zhao Xudong , Sun Tao , Xu Ning , Zong Guandeng 
Published: May 2020

AbstractThis paper mainly studies the problem of global stability at limit cycles for switched multi‐valued logical networks (SMLNs). Firstly, the SMLNs are converted into algebraic forms by using semi‐tensor product of matrices. Then an effective method called digital transformation is used to analyze the structural matrices of the obtained algebraic equations. Based on this method, the global stability at a certain limit cycle for SMLNs, a more general situation, is for the first time studied in this paper, and the relevant necessary and sufficient condition is derived. By dividing the structural matrices of switched multi‐valued logical control networks (SMLCNs) into several blocks, a necessary and sufficient condition for SMLCNs to be globally stabilized to a limit cycle under open‐loop control signals is provided. In addition, due to the use of digital transformations, the stability analysis method established for SMLNs and SMLCNs in this paper is sraightforward and the corresponding computational burden is quite small. Finally, two numerical examples are given to show the effectiveness of the obtained results in this work.
Development of a computational tool for designing multicomponent distillation columns
Authors: Cardoso João P. M. , Tannous Katia 
Published: May 2020

AbstractThe present paper aims to develop new software to simulate multicomponent distillation columns. AmProS software can help students and professionals with different areas of expertise (e.g., chemistry, and chemical, mechanical, and food engineers) to solve and understand distillation and thermodynamics problems with critical thinking. A database of 113 hydrocarbon compounds was created to make the software use more dynamic. This user‐friendly software was developed using the “V model” methodology and Visual Basic language to carry out the design and establish the operation parameters of distillation columns. The user can choose between two preprogrammed equations of state (Peng–Robinson or Soave–Redlich–Kwong) for the calculation of thermodynamic properties. Two approaches were integrated in specific modules considering Shortcut and Rigorous distillation methods obtaining good accuracy (<10%) compared to the commercial simulator. Each module shows the key equations and message logs that guide the user through the software. The results of the input parameters' effects (key components, temperature, pressure, and feed composition) in the design and rating column are shown in Excel table formats (.xlsm) as well as in pdf files. This software was applied in different courses at School of Chemical Engineering at University of Campinas for user acceptance testing. These tests showed that AmProS is intuitive, information can be effortlessly found and it is easy to use to solve complex simulations. Chemical engineering students (undergraduates and graduates) and professionals in different fields can use this tool to expand their knowledge.
Clinical and radiological characteristics of patients with pulmonary marginal zone lymphoma: A single center analysis
Authors: Husnain Muhammad , Kuker Russ , Reis Isildinha M. , Iyer Sunil Girish , Zhao Wei , Chapman Jennifer R. , Vega Francisco , Lossos Izidore S. , Alderuccio Juan Pablo 
Published: May 2020

AbstractPulmonary marginal zone lymphoma (PMZL) is the most common non‐Hodgkin lymphoma affecting the lung. PMZL is usually an indolent disease. Clinical and radiological variables associated with shorter survival are largely unknown and no consensus exists on preferred treatment strategy in PMZL. Herein we aimed to identify clinical and radiological features associated with shorter survival and inferior treatment outcomes. Forty patients with PMZL were analyzed. FDG‐avid disease was evident in most patients (93%) with staging PET/CT (n = 15). With a median follow‐up in treated patients (n = 38) of 8.4 years (range 0.07‐18.44), the median progression‐free survival (PFS) and overall survival (OS) were 7.5 years (95% CI 1.8‐9.5) and 15.7 years (95% CI 9.3‐NE) respectively. Shorter PFS was observed in patients who presented at diagnosis with elevated LDH, B symptoms, advanced stage and failed to achieve complete response (CR) after initial treatment. Patients with multifocal lung disease, extrapulmonary MZL and cavitary lesions on CT scans exhibited shorter PFS. Nevertheless, no clinical or radiologic findings were associated with shorter OS. All patients treated with surgery (n = 4) and radiation therapy (n = 3) achieved and remained in CR. No higher grade transformations occurred during the follow‐up period. PMZL exhibited excellent outcomes with a 15‐year PMZL‐related OS of 94.9% (95% CI: 81.25%‐98.7%). Radiation therapy and surgery are potentially curative strategies in localized PMZL.
New Derivatives from Microbial Transformation of ent‐Kaur‐16‐en‐19‐oic Acid by Cunninghamella echinulata
Authors: Song Chenggang , Liu Juan , Wang Haoyu , Li Xiang , Liu Bing , Zhang Mingzhe , Shan Xiaohui , Li He , Gao Jinming , Qin Jianchun 
Published: May 2020

AbstractBiotransformation of ent‐kaur‐16‐en‐19‐oic acid using fungus Cunninghamella echinulata resulted in two novel hydroxylated metabolites together with five known compounds. Their structures were elucidated by means of extensive NMR and HR‐ESI‐MS data analysis. The eight compounds were measured for their cytotoxicity against the human breast carcinoma (MCF‐7) and human hepatoblastoma (HepG‐2) cell lines. Seven compounds showed no cytotoxicity to the two cell lines. One compound displayed moderate cytotoxicity against HepG‐2 and MCF‐7 with the IC50 values of 12.6 and 27.1 μM, respectively.
Enantioselective Synthesis of Planar Chiral Ferrocifens that Show Chiral Discrimination in Antiproliferative Activity on Breast Cancer Cells
Authors: Cunningham Laura , Wang Yong , Nottingham Chris , Pagsulingan Jammah , Jaouen Gérard , McGlinchey Michael J. , Guiry Patrick J. 
Published: May 2020

AbstractThe design and first enantioselective synthesis of a series of chiral ferrocifens and ferrociphenols was realised by enantioselective palladium‐catalysed intramolecular direct C−H bond activation followed by McMurry coupling. Biological evaluation revealed moderate anticancer activities on breast cancer cells and evidence of chiral discrimination between enantiomers. Treatment of the novel ferrocifens with Ag2O revealed that these systems are unable to form a neutral quinone methide, yet still demonstrate marked antiproliferative properties against both the hormone‐dependent MCF‐7 and hormone‐independent MDA‐MB‐231 cell lines. This bioactivity arises from two mechanisms: Fenton‐type chemistry and the anti‐estrogenic activity associated with the tamoxifen‐like structure.