bluuebunny/crossref_metadata_2025_split huggingface dataset:
Utility of metabolic screening in neurological presentations of infancy
Authors: Djordjevic Djurdja , Tsuchiya Etsuko , Fitzpatrick Megan , Sondheimer Neal , Dowling James J. 
Published: June 2020

AbstractBackgroundThe first‐line use of specialized metabolic screening laboratories in the investigation of hypotonia and/or developmental delay remains a standard practice despite lack of supporting evidence. Our study aimed to address the utility of such testing by determining the proportion of patients whose diagnosis was directly supported by metabolic screening.MethodsWe performed a retrospective chart review study of 164 patients under age one who had screening metabolic laboratory testing done within the time period of one calendar year.ResultsOf patients screened, 9/164 (5.5%) had diagnoses supported by metabolic testing (two with nonketotic hyperglycinemia, three with ornithine transcarbamylase deficiency, one with propionic acidemia, one with a congenital disorder of glycosylation, one with D‐bifunctional protein deficiency, and one with GM1 Gangliosidosis). Of patients specifically evaluated for hypotonia and/or developmental delay, 5/79 (6.3%) were diagnosed with the aid of metabolic testing. All patients with positive screens presented with acute decompensation. Outside of this subgroup of high‐risk patients, no patients were diagnosed using metabolic testing. Screening laboratories were also ineffective in an outpatient setting, identifying only one of the seven outpatients who was ultimately diagnosed with an inborn error of metabolism.ConclusionsThese findings demonstrate that the yield of specialized metabolic screening testing is extremely low in infants with hypotonia and/or developmental delay, approaching zero outside of the specific setting of clinical decompensation or multi‐system involvement. Furthermore, many outpatient cases of IEM are not identified by screening studies. This information will help guide the diagnostic evaluation of hypotonia and/or global developmental delay.
Early prediction of adverse outcomes in infants with acute bilirubin encephalopathy
Authors: Kang Wenqing , Yuan Xiao , Zhang Yaodong , Song Juan , Xu Falin , Liu Dapeng , Li Rui , Xu Bangli , Li Wen , Cheng Yanchao , Zhu Changlian 
Published: June 2020

AbstractObjectiveAcute bilirubin encephalopathy (ABE) remains one of the important causes of neonatal mortality and child disability, early identification, and intervention which could improve outcomes. The purpose of this study was to evaluate early predictors of adverse outcomes in infants with ABE.MethodsNewborns of gestational age ≥ 35 weeks and diagnosed with ABE were included in the study. Bilirubin‐induced neurological dysfunction (BIND) score, total serum bilirubin (TSB) peak value, and serum albumin levels were determined. Adverse outcomes were defined as death or survival with auditory dysfunction and/or cerebral palsy.ResultsEighty‐two infants were eligible for recruitment in the study. The outcome data from 76 ABE infants (92%) were used for analysis, of which 25 infants got adverse outcomes and 51 live a normal life. Univariate analysis for BIND score, TSB peak value, bilirubin–albumin ratio (B/A), albumin level, abnormal AABR, and neonatal sepsis was performed to elucidate the association with adverse outcomes. Bivariate logistic regression analysis showed B/A (OR 10.48, 95%CI: 1.55–70.81, P = 0.02) and BIND score (OR 3.68, 95%CI: 1.39–9.72, P = 0.01) were correlated with adverse outcomes. ROC curve analysis showed that B/A (≥8.9 mg/g), BIND score (≥6) could predict adverse outcomes of ABE separately; B/A in conjunction with BIND score could increase prediction sensitivity to 100%.InterpretationBoth B/A and BIND score can be used to predict adverse outcomes of ABE, and the combination of the two parameters can increase prediction sensitivity significantly.
Trilayer Nanomesh Films with Tunable Wettability as Highly Transparent, Flexible, and Recyclable Electrodes
Authors: Qiu Tengfei , Luo Bin , Akinoglu Eser Metin , Yun Jung‐Ho , Gentle Ian R. , Wang Lianzhou 
Published: June 2020

AbstractMetallic mesh materials are promising candidates to replace traditional transparent conductive oxides such as indium tin oxide (ITO) that is restricted by the limited indium resource and its brittle nature. The challenge of metal based transparent conductive networks is to achieve high transmittance, low sheet resistance, and small perforation size simultaneously, all of which significantly relate to device performances in optoelectronics. In this work, trilayer dielectric/metal/dielectric (D/M/D) nanomesh electrodes are reported with precisely controlled perforation size, wire width, and uniform hole distribution employing the nanosphere lithography technique. TiO2/Au/TiO2 nanomesh films with small hole diameter (≤700 nm) and low thickness (≤50 nm) are shown to yield high transmittance (>90%), low sheet resistance (≤70 Ω sq−1), as well as outstanding flexural endurance and feasibility for large area patterning. Further, by tuning the surface wettability, these films are applied as easily recyclable flexible electrodes for electrochromic devices. The simple and cost‐effective fabrication of diverse D/M/D nanomesh transparent conductive films with tunable optoelectronic properties paves a way for the design and realization of specialized transparent electrodes in optoelectronics.
Moiré‐Pattern‐Tuned Electronic Structures of van der Waals Heterostructures
Authors: Tang Kewei , Qi Weihong 
Published: June 2020

AbstractMoiré patterns are quasi‐periodic geometric patterns generated by the incommensurate stacking between two monolayers; they have rapidly attracted enormous attention due to their profound ability to modulate the electronic properties of 2D materials. For instance, the Bloch band of the Moiré superlattice, which is known as the Moiré band, can become flat at a specific series of discrete angles, and these flat bands are capable of exhibiting strong correlation behaviors such as the high‐temperature superconductivity reported recently. Moiré patterns can alter electronic properties, while surface reconstruction can modify Moiré patterns. In this review, the fundamental geometry is discussed and the basic electronic structure modification is summarized. Surface reconstruction is a method of tuning the electronic properties of a Moiré superlattice. Strong correlation phenomena, such as superconductivity, superfluidity, and magnetism induced by the flat bands, have been confirmed experimentally in recent years, which will be discussed in detail. Some possible application opportunities based on the fascinating characteristics of the Moiré pattern will also be presented. Because of the growing interest in Moiré patterns and related physical phenomena, it is anticipated that a deeper understanding of the fundamental physics of Moiré systems and further progress in the investigation of strong correlation phenomena are forthcoming.
Iron Oxide Nanoparticles as T1 Contrast Agents for Magnetic Resonance Imaging: Fundamentals, Challenges, Applications, and Prospectives
Authors: Jeon Mike , Halbert Mackenzie V. , Stephen Zachary R. , Zhang Miqin 
Published: June 2020

AbstractGadolinium‐based chelates are a mainstay of contrast agents for magnetic resonance imaging (MRI) in the clinic. However, their toxicity elicits severe side effects and the Food and Drug Administration has issued many warnings about their potential retention in patients’ bodies, which causes safety concerns. Iron oxide nanoparticles (IONPs) are a potentially attractive alternative, because of their nontoxic and biodegradable nature. Studies in developing IONPs as T1 contrast agents have generated promising results, but the complex, interrelated parameters influencing contrast enhancement make the development difficult, and IONPs suitable for T1 contrast enhancement have yet to make their way to clinical use. Here, the fundamental principles of MRI contrast agents are discussed, and the current status of MRI contrast agents is reviewed with a focus on the advantages and limitations of current T1 contrast agents and the potential of IONPs to serve as safe and improved alternative to gadolinium‐based chelates. The past advances and current challenges in developing IONPs as a T1 contrast agent from a materials science perspective are presented, and how each of the key material properties and environment variables affects the performance of IONPs is assessed. Finally, some potential approaches to develop high‐performance and clinically relevant T1 contrast agents are discussed.
Highly Efficient Broadband Solar‐Blind UV Photodetector Based on Gd2O3:Eu3+–PMMA Composite Film
Authors: Jia Hong , Li Xue , Fan Yidan , Ding Chaoliang , Pan Liuzhan , Feng Xun , Liu Xiaofeng , Hu Junhua , Chen Jianguo , Gao Linhui , Chen Zhi , Qiu Jianrong 
Published: June 2020

AbstractDue to their broad applications in civil and military fields, solar‐blind ultraviolet (UV) photodetectors have been paid with growing interest in recent years. Among lots of emerging materials exploited as spectral convertors for such photodetectors, rare‐earth (RE) ion‐activated downconversion (DC) materials show high quantum efficiency under UV excitation. However, up to date, RE ion‐based DC materials for solar‐blind UV converting photodetector can only enable UV detection in a narrow spectral region based on different device configurations. Herein, a highly efficient broadband solar‐blind UV photodetector constructed by coating a silicon‐based photosensitive resistor (Si‐BPR) with a transparent polymer composite film containing Gd2O3:Eu3+particles is presented. In the design, Gd2O3:Eu3+phosphor particles with efficient UV‐excited DC luminescence are mixed with poly(methyl methacrylate) to form a transparent composite film, which serves as an effective spectral converter for the conversion of broadband solar‐blind UV light to visible light, and this downconverted visible light can ultimately be absorbed by Si‐BPR to produce photoresponse. The result provides a facile approach for highly efficient broadband solar‐blind UV detection and may enable novel applications of RE‐activated hybrid luminescent films.
Eine einfache Strategie zur Korrektur des Fehlers aufgrund von Hexosylierung bei relativer Quantifizierung der N‐Glykosylierungsvarianten von Biopharmazeutika
Authors: Esser‐Skala Wolfgang , Wohlschlager Therese , Regl Christof , Huber Christian G. 
Published: June 2020

AbstractN‐Glykane können sich auf die Sicherheit und Wirksamkeit von Biopharmazeutika auswirken, weswegen sie bei deren Herstellung kontrolliert werden. Zur Charakterisierung von Glykosylierungsvarianten wird vermehrt Massenspektrometrie auf intakter Proteinebene herangezogen. Allerdings kann die Quantifizierung von N‐Glykoformen bei dieser Methode durch Anwesenheit einzelner Hexosereste als Folge von Glykierung oder O‐Glykosylierung verfälscht werden. Hier beschreiben wir eine einfache Strategie zur Bestimmung der tatsächlichen Häufigkeiten von N‐Glykoformen therapeutischer Antikörper, wobei zunächst das Ausmaß der Glykierung experimentell bestimmt und anschließend die “Hexosylierungsabweichung” rechnerisch korrigiert wird. Wir zeigen, dass die tatsächlichen Häufigkeiten von N‐Glykoformen deutlich von den ursprünglich gemessenen Werten abweichen können. Tatsächlich kann Glykierung beträchtliche Unterschiede im N‐Glykosylierungsmuster von Arzneimittelchargen maskieren. Folglich könnten sich unsere Beobachtungen auf die biopharmazeutische Qualitätssicherung auswirken. Darüber hinaus lösen wir einen generellen Fall des für die Massenspektrometrie fundamentalen Problems der Isobarizität.
Halogen Bonding Between Anions: Association of Anion Radicals of Tetraiodo‐p‐benzoquinone with Iodide Anions
Authors: Maxson Tristan , Jalilov Almaz S. , Zeller Matthias , Rosokha Sergiy V. 
Published: June 2020

AbstractHalogen bonding between two negatively charged species, tetraiodo‐p‐benzoquinone anion radicals (I4Q−.) and iodide anions, was observed and characterized for the first time. X‐ray structural and EPR/UV–Vis spectral studies revealed that the anion–anion bonding led to the formation of crystals comprising 2D layers of I4Q−. anion radicals linked by iodides and separated by Et4N+ counter‐ions. Computational analysis suggested that the seemingly antielectrostatic halogen bonds in these systems were formed via a combination of several factors. First, an attenuation of the interionic repulsion by the solvent facilitated close approach of the anions leading to their mutual polarization. This resulted in the appearance of positively charged areas (σ‐holes) on the surface of the iodine substituents in I4Q−. responsible for the attractive interaction. Finally, the solid‐state associations were also stabilized by multicenter (4:4) halogen bonding between I4Q−. and iodide.
Stringing the Perylene Diimide Bow
Authors: Liu Taifeng , Yang Jingjing , Geyer Florian , Conrad‐Burton Felisa S. , Hernández Sánchez Raúl , Li Hexing , Zhu Xiaoyang , Nuckolls Colin P. , Steigerwald Michael L. , Xiao Shengxiong 
Published: June 2020

AbstractThis study explores a new mode of contortion in perylene diimides where the molecule is bent, like a bow, along its long axis. These bowed PDIs were synthesized through a facile fourfold Suzuki macrocyclization with aromatic linkers and a tetraborylated perylene diimide that introduces strain and results in a bowed structure. By altering the strings of the bow, the degree of bending can be controlled from flat to highly bent. Through spectroscopy and quantum chemical calculations, it is demonstrated that the energy of the lowest unoccupied orbital can be controlled by the degree of bending in the structures and that the energy of the highest occupied orbital can be controlled to a large extent by the constitution of the aromatic linkers. The important finding is that the bowing results not only in red‐shifted absorptions but also more facile reductions.
Polyesters by a Radical Pathway: Rationalization of the Cyclic Ketene Acetal Efficiency
Authors: Tardy Antoine , Gil Noémie , Plummer Christopher M. , Siri Didier , Gigmes Didier , Lefay Catherine , Guillaneuf Yohann 
Published: June 2020

AbstractRadical ring‐opening polymerization (rROP) of cyclic ketene acetals (CKAs) combines the advantages of both ring‐opening polymerization and radical polymerization thereby allowing the robust production of polyesters coupled with the mild polymerization conditions of a radical process. rROP was recently rejuvenated by the possibility to copolymerize CKAs with classic vinyl monomers leading to the insertion of cleavable functionality into a vinyl‐based copolymer backbone and thus imparting (bio)degradability. Such materials are suitable for a large scope of applications, particularly within the biomedical field. The competition between the ring‐opening and ring‐retaining propagation routes is a major complication in the development of efficient CKA monomers, ultimately leading to the use of only four monomers that are known to completely ring‐open under all experimental conditions. In this article we investigate the radical ring‐opening polymerization of model CKA monomers and demonstrate by the combination of DFT calculations and kinetic modeling using PREDICI software that we are now able to predict in silico the ring‐opening ability of CKA monomers.
Zinc–Organic Battery with a Wide Operation‐Temperature Window from −70 to 150 °C
Authors: Wang Nan , Dong Xiaoli , Wang Bingliang , Guo Zhaowei , Wang Zhuo , Wang Renhe , Qiu Xuan , Wang Yonggang 
Published: June 2020

AbstractAqueous zinc (Zn) batteries have been considered as promising candidates for grid‐scale energy storage. However, their cycle stability is generally limited by the structure collapse of cathode materials and dendrite formation coupled with undesired hydrogen evolution on the Zn anode. Herein we propose a zinc–organic battery with a phenanthrenequinone macrocyclic trimer (PQ‐MCT) cathode, a zinc‐foil anode, and a non‐aqueous electrolyte of a N,N‐dimethylformamide (DMF) solution containing Zn2+. The non‐aqueous nature of the system and the formation of a Zn2+–DMF complex can efficiently eliminate undesired hydrogen evolution and dendrite growth on the Zn anode, respectively. Furthermore, the organic cathode can store Zn2+ ions through a reversible coordination reaction with fast kinetics. Therefore, this battery can be cycled 20 000 times with negligible capacity fading. Surprisingly, this battery can even be operated in a wide temperature range from −70 to 150 °C.
Copper‐Catalyzed Deaminative Difluoromethylation
Authors: Zeng Xiaojun , Yan Wenhao , Zacate Samson B. , Cai Aijie , Wang Yufei , Yang Dongqi , Yang Kundi , Liu Wei 
Published: June 2020

AbstractThe difluoromethyl group (CF2H) is considered to be a lipophilic and metabolically stable bioisostere of an amino (NH2) group. Therefore, methods that can rapidly convert an NH2 group into a CF2H group would be of great value to medicinal chemistry. We report herein an efficient Cu‐catalyzed approach for the conversion of alkyl pyridinium salts, which can be readily synthesized from the corresponding alkyl amines, to their alkyl difluoromethane analogues. This method tolerates a broad range of functional groups and can be applied to the late‐stage modification of complex amino‐containing pharmaceuticals.
Phenalenannulations: Three‐Point Double Annulation Reactions that Convert Benzenes into Pyrenes
Authors: Kawade Rahul Kisan , Hu Chaowei , Dos Santos Nikolas R. , Watson Noelle , Lin Xinsong , Hanson Kenneth , Alabugin Igor V. 
Published: June 2020

Abstract3‐Point annulations, or phenalenannulations, transform a benzene ring directly into a substituted pyrene by “wrapping” two new cycles around the perimeter of the central ring at three consecutive carbon atoms. This efficient, modular, and general method for π‐extension opens access to non‐symmetric pyrenes and their expanded analogues. Potentially, this approach can convert any aromatic ring bearing a ‐CH2Br or a ‐CHO group into a pyrene moiety. Depending upon the workup choices, the process can be directed towards either tin‐ or iodo‐substituted product formation, giving complementary choices for further various cross‐coupling reactions. The two‐directional bis‐double annulation adds two new polyaromatic extensions with a total of six new aromatic rings at a central core.
Irreversible Amide‐Linked Covalent Organic Framework for Selective and Ultrafast Gold Recovery
Authors: Qian Hai‐Long , Meng Fan‐Lin , Yang Cheng‐Xiong , Yan Xiu‐Ping 
Published: June 2020

AbstractDesign of stable adsorbents for selective gold recovery with large capacity and fast adsorption kinetics is of great challenge, but significant for the economy and the environment. Herein, we show the design and preparation of an irreversible amide‐linked covalent organic framework (COF) JNU‐1 via a building block exchange strategy for efficient recovery of gold. JNU‐1 was synthesized through the exchange of 4,4′‐biphenyldicarboxaldehyde (BA) in mother COF TzBA consisting of 4,4′,4′′‐(1,3,5‐triazine‐2,4,6‐triyl)trianiline (Tz) and BA with terephthaloyl chloride. The irreversible amide linked JNU‐1 gave good stability, unprecedented fast kinetics, excellent selectivity and outstanding adsorption capacity for gold recovery. X‐ray photoelectron spectroscopy along with thermodynamic study and quantum mechanics calculation reveals that the excellent performance of JNU‐1 for gold recovery results from the formation of hydrogen bonds C(N)−H⋅⋅⋅Cl and coordinate interaction of O and Au. The rational design of irreversible bonds as both inherent linkage and functional groups in COFs is a promising way to prepare stable COFs for diverse applications.
Sulfur‐Modified Oxygen Vacancies in Iron–Cobalt Oxide Nanosheets: Enabling Extremely High Activity of the Oxygen Evolution Reaction to Achieve the Industrial Water Splitting Benchmark
Authors: Zhuang Linzhou , Jia Yi , Liu Hongli , Li Zhiheng , Li Mengran , Zhang Longzhou , Wang Xin , Yang Dongjiang , Zhu Zhonghua , Yao Xiangdong 
Published: June 2020

AbstractThe oxygen vacancies of defective iron–cobalt oxide (FeCoOx‐Vo) nanosheets are modified by the homogeneously distributed sulfur (S) atoms. S atoms can not only effectively stabilize oxygen vacancies (Vo), but also form the Co−S coordination with Co active site in the Vo, which can modulate the electronic structure of the active site, enabling FeCoOx‐Vo‐S to exhibit much superior OER activity. FeCoOx‐Vo‐S exhibits a mass activity of 2440.0 A g−1 at 1.5 V vs. RHE in 1.0 m KOH, 25.4 times higher than that of RuO2. The Tafel slope is as low as 21.0 mV dec−1, indicative of its excellent charge transfer rate. When FeCoOx‐Vo‐S (anode catalyst) is paired with the defective CoP3/Ni2P (cathode catalyst) for overall water splitting, current densities of as high as 249.0 mA cm−2 and 406.0 mA cm−2 at a cell voltage of 2.0 V and 2.3 V, respectively, can be achieved.
A Simple Strategy to Eliminate Hexosylation Bias in the Relative Quantification of N‐Glycosylation in Biopharmaceuticals
Authors: Esser‐Skala Wolfgang , Wohlschlager Therese , Regl Christof , Huber Christian G. 
Published: June 2020

AbstractN‐glycosylation may affect the safety and efficacy of biopharmaceuticals and is thus monitored during manufacturing. Mass spectrometry of the intact protein is increasingly used to reveal co‐existing glycosylation variants. However, quantification of N‐glycoforms via this approach may be biased by single hexose residues as introduced by glycation or O‐glycosylation. Herein, we describe a simple strategy to reveal actual N‐glycoform abundances of therapeutic antibodies, involving experimental determination of glycation levels followed by computational elimination of the “hexosylation bias”. We show that actual N‐glycoform abundances may significantly deviate from initially determined values. Indeed, glycation may even obscure considerable differences in N‐glycosylation patterns of drug product batches. Our observations may thus have implications for biopharmaceutical quality control. Moreover, we solve an instance of the problem of isobaricity, which is fundamental to mass spectrometry.
In Situ Scanning Tunneling Microscopy of Cobalt‐Phthalocyanine‐Catalyzed CO2 Reduction Reaction
Authors: Wang Xiang , Cai Zhen‐Feng , Wang Yu‐Qi , Feng Ya‐Chen , Yan Hui‐Juan , Wang Dong , Wan Li‐Jun 
Published: June 2020

AbstractWe report a molecular investigation of a cobalt phthalocyanine (CoPc)‐catalyzed CO2 reduction reaction by electrochemical scanning tunneling microscopy (ECSTM). An ordered adlayer of CoPc was prepared on Au(111). Approximately 14 % of the adsorbed species appeared with high contrast in a CO2‐purged electrolyte environment. The ECSTM experiments indicate the proportion of high‐contrast species correlated with the reduction of CoIIPc (−0.2 V vs. saturated calomel electrode (SCE)). The high‐contrast species is ascribed to the CoPc‐CO2 complex, which is further confirmed by theoretical simulation. The sharp contrast change from CoPc‐CO2 to CoPc is revealed by in situ ECSTM characterization of the reaction. Potential step experiments provide dynamic information for the initial stage of the reaction, which include the reduction of CoPc and the binding of CO2, and the latter is the rate‐limiting step. The rate constant of the formation and dissociation of CoPc‐CO2 is estimated on the basis of the in situ ECSTM experiment.