bluuebunny/crossref_metadata_2025_split huggingface dataset:
A randomized controlled trial comparing two vaso‐occlusive episode (VOE) protocols in sickle cell disease (SCD)
Authors: Tanabe Paula , Silva Susan , Bosworth Hayden B. , Crawford Regina , Paice Judith A. , Richardson Lynne D. , Miller Christopher N. , Glassberg Jeffrey 
Published: October 2017

AbstractLimited evidence guides opioid dosing strategies for acute Sickle Cell (SCD) pain. We compared two National Heart, Lung and Blood (NHBLI) recommended opioid dosing strategies (weight‐based vs. patient‐specific) for ED treatment of acute vaso‐occlusive episodes (VOE).A prospective randomized controlled trial (RCT) was conducted in two ED's. Adults ≥ 21 years of age with SCD disease were eligible. Among the 155 eligible patients, 106 consented and 52 had eligible visits. Patients were pre‐enrolled in the outpatient setting and randomized to one of two opioid dosing strategies for a future ED visit. ED providers accessed protocols through the electronic medical record. Change in pain score (0‐100 mm VAS) from arrival to ED disposition, as well as side effects were assessed. 52 patients (median age was 27 years, 42% were female, and 89% black) had one or more ED visits for a VOE (total of 126 ED study visits, up to 5 visits/patient were included). Participants randomized to the patient‐specific protocol experienced a mean reduction in pain score that was 16.6 points greater than patients randomized to the weight‐based group (mean difference 95% CI = 11.3 to 21.9, P = 0.03). Naloxone was not required for either protocol and nausea and/or vomiting was observed less often in the patient‐specific protocol (25.8% vs 59.4%, P = 0.0001). The hospital admission rate for VOE was lower for patients in the patient‐specific protocol (40.3% vs 57.8% P = 0.05). NHLBI guideline‐based analgesia with patient‐specific opioid dosing resulted in greater improvements in the pain experience compared to a weight‐based strategy, without increased side effects.
Cucurbit[7]uril as a Supramolecular Artificial Enzyme for Diels–Alder Reactions
Authors: Palma Aniello , Artelsmair Markus , Wu Guanglu , Lu Xiaoyong , Barrow Steven J. , Uddin Najib , Rosta Edina , Masson Eric , Scherman Oren A. 
Published: October 2017

AbstractThe ability to mimic the activity of natural enzymes using supramolecular constructs (artificial enzymes) is a vibrant scientific research field. Herein, we demonstrate that cucurbit[7]uril (CB[7]) can catalyse Diels–Alder reactions for a number of substituted and unreactive N‐allyl‐2‐furfurylamines under biomimetic conditions, without the need for protecting groups, yielding powerful synthons in previously unreported mild conditions. CB[7] rearranges the substrate in a highly reactive conformation and shields it from the aqueous environment, thereby mimicking the mode of action of a natural Diels–Alderase. These findings can be directly applied to the phenomenon of product inhibition observed in natural Diels–Alderase enzymes, and pave the way toward the development of novel, supramolecular‐based green catalysts.
Eine Bor‐Tellur‐Doppelbindung: direkte Insertion in eine Mn=B‐Doppelbindung
Authors: Liu Siyuan , Légaré Marc‐André , Auerhammer Dominic , Hofmann Alexander , Braunschweig Holger 
Published: October 2017

AbstractDas basenstabilisierte Borylen [Cp(OC)2Mn=BtBu(IMe)] reagiert direkt mit elementaren Chalkogenen in einer Insertionsreaktion unter Bildung von Borachalkonkomplexen [Cp(OC)2Mn‐E=BtBu(IMe)] (E=S, Se, Te). Die Tellurverbindung enthält hierbei die erste charakterisierte Doppelbindung zwischen den Elementen Bor und Tellur. Des Weiteren ist Tellur das bislang schwerste Hauptgruppenelement, von dem eine Mehrfachbindung mit Bor bekannt ist. Diese beispiellose Wechselwirkung wurde durch theoretische und experimentelle Studien vollständig untersucht.
Isoquinoline‐1‐Carboxylate as a Traceless Leaving Group for Chelation‐Assisted Glycosylation under Mild and Neutral Reaction Conditions
Authors: Wang Hao‐Yuan , Simmons Christopher J. , Blaszczyk Stephanie A. , Balzer Paul G. , Luo Renshi , Duan Xiyan , Tang Weiping 
Published: October 2017

AbstractGlycosyl isoquinoline‐1‐carboxylate was developed as a novel benchtop stable and readily available glycosyl donor. The glycosylation reaction was promoted by the inexpensive Cu(OTf)2 salt under mild reaction conditions. The copper isoquinoline‐1‐carboxylate salt was precipitated from the solution and thus rendered a traceless leaving group. Surprisingly, the proton from the acceptor was absorbed by the precipitated metal complex and the reaction mixture remained at neutral pH. The copper‐promoted glycosylation was also proven to be completely orthogonal to the gold‐promoted glycosylation, and an iterative synthesis of oligosaccharides from benchtop stable anomeric ester building blocks becomes possible under mild reaction conditions.
Multi‐Step Crystallization of Barium Carbonate: Rapid Interconversion of Amorphous and Crystalline Precursors
Authors: Whittaker Michael L. , Smeets Paul J. M. , Asayesh‐Ardakani Hasti , Shahbazian‐Yassar Reza , Joester Derk 
Published: October 2017

AbstractThe direct observation of amorphous barium carbonate (ABC), which transforms into a previously unknown barium carbonate hydrate (herewith named gortatowskite) within a few hundred milliseconds of formation, is described. In situ X‐ray scattering, cryo‐, and low‐dose electron microscopy were used to capture the transformation of nanoparticulate ABC into gortatowskite crystals, highly anisotropic sheets that are up to 1 μm in width, yet only about 10 nm in thickness. Recrystallization of gortatowskite to witherite starts within 30 seconds. We describe a bulk synthesis and report a first assessment of the composition, vibrational spectra, and structure of gortatowskite. Our findings indicate that transient amorphous and crystalline precursors can play a role in aqueous precipitation pathways that may often be overlooked owing to their extremely short lifetimes and small dimensions. However, such transient precursors may be integral to the formation of more stable phases.
Controllable Modular Growth of Hierarchical MOF‐on‐MOF Architectures
Authors: Gu Yifan , Wu Yi‐nan , Li Liangchun , Chen Wei , Li Fengting , Kitagawa Susumu 
Published: October 2017

AbstractFabrication of hybrid MOF‐on‐MOF heteroarchitectures can create novel and multifunctional platforms to achieve desired properties. However, only MOFs with similar crystallographic parameters can be hybridized by the classical epitaxial growth method (EGM), which largely suppressed its applications. A general strategy, called internal extended growth method (IEGM), is demonstrated for the feasible assembly of MOFs with distinct crystallographic parameters in an MOF matrix. Various MOFs with diverse functions could be introduced in a modular MOF matrix to form 3D core–satellite pluralistic hybrid system. The number of different MOF crystals interspersed could be varied on demand. More importantly, the different MOF crystals distributed in individual domains could be used to further incorporate functional units or enhance target functions.
The First Boron–Tellurium Double Bond: Direct Insertion of Heavy Chalcogens into a Mn=B Double Bond
Authors: Liu Siyuan , Légaré Marc‐André , Auerhammer Dominic , Hofmann Alexander , Braunschweig Holger 
Published: October 2017

AbstractThe base‐stabilized borylene [Cp(OC)2Mn=BtBu(IMe)] readily reacts with elemental chalcogens in an insertion reaction that yields borachalcone complexes [Cp(OC)2Mn‐E=BtBu(IMe)] (E=S, Se, Te). The tellurium example features the first double bond between boron and tellurium, making Te the heaviest main‐group element to make multiple bonds with boron. This unprecedented interaction has been fully investigated both experimentally and computationally.
A Review on Detection and Abatement of Heavy Metals
Authors: Sikdar Sayantani , Kundu Madhusree 
Published: October 2017

AbstractHeavy metal contamination is one of the major concerns in today's world. Trace elements like arsenic, cadmium, chromium, copper, lead, mercury, nickel, and zinc are released from natural and anthropogenic activities and considered highly hazardous. Therefore, the continuous monitoring, detection, and remediation of heavy metals in groundwater and soil are of utmost importance. In this article, the detection technologies available together with their working principles and the remediation processes that are used until today are presented. The basic abatement technologies used fall into 3 categories: chemical, biological, and physico‐chemical. General approaches like isolation, immobilization, toxicity reduction, physical separation, and extraction can also be used for remediation of heavy metals. For large scale operations, chemical treatment technologies have proven to be the best option. Physico‐chemical treatment technologies can exclude all the possibilities of auxiliary toxic effects that may be produced by the treating chemical agents, hence, approaching a green remediation process.
A novel HIF1AN substrate KANK3 plays a tumor‐suppressive role in hepatocellular carcinoma
Authors: Kim Iljin , Kang Jengmin , Gee Heon Yung , Park Jong‐Wan 
Published: October 2017

AbstractThe KN motif and ankyrin repeat domain‐containing protein (KANK) family is involved in actin cytoskeleton organization and cell motility. Compared with other KANK members, the biological function of KANK3 is not clear. Here, we identified KANK3 as a new substrate for the oxygen sensor hypoxia‐inducible factor 1‐alpha inhibitor (HIF1AN), which hydroxylates HIF‐1/2α and other ankyrin repeat domain‐containing proteins at asparagine residues. An in vitro hydroxylation assay clearly demonstrated asparaginyl hydroxylation of KANK3 by HIF1AN, and mass spectroscopic analysis revealed that KANK3 is hydroxylated at three asparagine residues within the ankyrin repeat domain. Bioinformatics analysis revealed that KANK3 downregulation is correlated with a poor prognosis in several types of cancers, including hepatocellular carcinoma (HCC). In HCC cells, KANK3 knockdown enhanced cell migration and invasion, while its overexpression inhibited these cell behaviors. Interestingly, such effects of KANK3 were not observed under hypoxic conditions, suggesting oxygen‐dependent activity of KANK3. Based on these data, we propose that KANK3 acts as a tumor suppressor to control cancer behavior in an oxygen‐dependent manner.
Controllable Hierarchical Surface Patterns of Supramolecular Hydrogels: Harnessing Buckling Instability by Confinement
Authors: Li Xiaohui , Guo Mingyu , Wang Fang , Shen Xuezhen , Weng Yuyan , Hu Zhijun 
Published: October 2017

AbstractPatterned surfaces of responsive polymers find applications in diverse fields. However, it is still a great challenge to fabricate hierarchical patterns with long‐range orders. Herein controllable hierarchical surface patterns that can be fabricated by combining nanoembossing techniques with the surface instability of supramolecular hydrogels are presented. Nanoembossed nanostripe arrays of polyethylene glycol (PEG)‐based polyurethane–urea supramolecular hydrogels are fabricated and exposed to water, whereby the lateral expansion of nanostripes is confined and leads to the formation of folded in‐plane or out‐of‐plane patterns depending on the aspect ratios. The direction of folds is perpendicular to the nanostripes. Both the amplitude and the wavelength of out‐of‐plane folds are proportional to the thickness of nanostripes. Therefore, hierarchical structures, in which one periodicity is defined by the nanoembossing processes and the other is determined by surface buckling, can be quickly fabricated in supramolecular hydrogel thin films.
Metal‐Free, Site‐Selective Peptide Modification by Conversion of “Customizable” Units into β‐Substituted Dehydroamino Acids
Authors: Saavedra Carlos J. , Hernández Dácil , Boto Alicia 
Published: October 2017

AbstractOur site‐selective modification of serine or threonine units in peptides allows the generation of β‐substituted dehydroamino acids, which increase peptide resistance to hydrolysis and may improve their biological properties. Both the terminal and internal positions can be modified, and different customizable units can be activated separately. Remarkably, high Z selectivity is achieved, even at internal positions. The conversion involves a one‐pot oxidative radical scission/phosphorylation process by using the low‐toxicity (diacetoxyiodo)benzene/iodine system as the scission reagent. The resulting α‐amino phosphonates undergo a Horner‐Wadsworth‐Emmons reaction to produce the dehydroamino acid derivatives (in a Z/E ratio of usually >98:2) under mild and metal‐free conditions.
A Rotaxane Scaffold for the Construction of Multiporphyrinic Light‐Harvesting Devices
Authors: Delavaux‐Nicot Béatrice , Ben Aziza Haifa , Nierengarten Iwona , Minh Nguyet Trinh Thi , Meichsner Eric , Chessé Matthieu , Holler Michel , Abidi Rym , Maisonhaute Emmanuel , Nierengarten Jean‐François 
Published: October 2017

AbstractA sophisticated photoactive molecular device has been prepared by combining recent concepts for the preparation of multifunctional nanomolecules (click chemistry on multifunctional scaffolds) with supramolecular chemistry (self‐assembly to prepare rotaxanes). Specifically, a clickable [2]rotaxane scaffold incorporating a free‐base porphyrin stopper has been prepared and functionalized with ten peripheral Zn(II)‐porphyrin moieties. Electrochemical investigations of the final compound revealed a peculiar behavior resulting from the intramolecular coordination of the Zn(II) porphyrin moieties to 1,2,3‐triazole units. Finally, steady state investigations of the compound combining Zn(II) and free‐base porphyrin moieties have shown that this compound is a light‐harvesting device capable of channeling the light energy from the peripheral Zn(II)‐porphyrin subunits to the core by singlet–singlet energy transfer.
Oligonucleotides with Cationic Backbone and Their Hybridization with DNA: Interplay of Base Pairing and Electrostatic Attraction
Authors: Schmidtgall Boris , Kuepper Arne , Meng Melissa , Grossmann Tom N. , Ducho Christian 
Published: October 2017

AbstractNon‐natural oligonucleotides represent important (bio)chemical tools and potential therapeutic agents. Backbone modifications altering hybridization properties and biostability can provide useful analogues. Here, we employ an artificial nucleosyl amino acid (NAA) motif for the synthesis of oligonucleotides containing a backbone decorated with primary amines. An oligo‐T sequence of this cationic DNA analogue shows significantly increased affinity for complementary DNA. Notably, hybridization with DNA is still governed by Watson–Crick base pairing. However, single base pair mismatches are tolerated and some degree of sequence‐independent interactions between the cationic NAA backbone and fully mismatched DNA are observed. These findings demonstrate that a high density of positive charges directly connected to the oligonucleotide backbone can affect Watson–Crick base pairing. This provides a paradigm for the design of therapeutic oligonucleotides with altered backbone charge patterns.
Cubane Cross‐Coupling and Cubane–Porphyrin Arrays
Authors: Bernhard Stefan S. R. , Locke Gemma M. , Plunkett Shane , Meindl Alina , Flanagan Keith J. , Senge Mathias O. 
Published: October 2017

AbstractHerein, an improved methodology for aryl‐cubane cross‐coupling is reported. The peculiarities of the cubane core and its behavior during cross‐coupling conditions were analyzed, while the versatility of this adapted Baran cross‐coupling methodology was demonstrated by the synthesis of various aryl‐cubane systems, including coupling products of cubanes and porphyrins. Furthermore, arm extension of alkynyl‐cubanes by Sonogashira reactions is demonstrated, showcasing the first proof of the stability of the cubane core in the presence of palladium catalysts.
Supramolecular Storage and Controlled Photorelease of an Oxidizing Agent using a Bambusuril Macrocycle
Authors: Torti Edoardo , Havel Václav , Yawer Mirza A. , Ludvíková Lucie , Babiak Michal , Klán Petr , Sindelar Vladimir 
Published: October 2017

AbstractThe oxidizing ability of peroxodisulfate upon complexation inside the Bambusuril macrocycle cavity is inhibited. This dianionic agent can be released on demand from its stable 1:1 complex in water (log Ka=6.9 m−1) by addition of a more strongly bound anion, such as iodide (log Ka=7.1 m−1), which can also be delivered in situ upon irradiation from a 4‐hydroxyphenacyl iodide derivative with spatial and temporal precision. The oxidizing properties of peroxodisulfate ions liberated from the complex recover and can take part in subsequent chemical transformations.
Unexpected Crystallization Patterns of Zinc Boron Imidazolate Framework ZBIF‐1: NMR Crystallography of Integrated Metal–Organic Frameworks
Authors: Kobera Libor , Rohlicek Jan , Czernek Jiri , Abbrent Sabina , Streckova Magdalena , Sopcak Tibor , Brus Jiri 
Published: October 2017

AbstractFramework materials, that is, metal–organic frameworks (MOFs) and inorganic frameworks (zeolites), are porous systems with regular structures that provide valuable properties suitable for sorption, catalysis, molecular sieving, and so on. Herein, an efficient, experimental/computational strategy is presented that allows detailed characterization of a polycrystalline MOF system, namely, zinc boron imidazolate framework ZBIF‐1, with two integrated unit cells on the atomic‐resolution level. Although high‐resolution 1H, 11B, 13C, and 15N MAS NMR spectra provide valuable structural information on the coexistence of two distinct asymmetric units in the investigated system, an NMR crystallography approach combining X‐ray powder diffraction, solid‐state NMR spectroscopy, and DFT calculations allowed the exact structure of the secondary crystalline phase to be firmly defined and, furthermore, the mutual interconnectivity of the two crystalline frameworks to be resolved. Thus, this study shows the versatility and efficiency of solid‐state NMR crystallography for the investigation of the wide family of MOF materials with their extensive structural complexity.
Vacuum‐Deposited versus Spin‐Coated Emissive Layers for Fabricating High‐Performance Blue–Green‐Emitting Diodes
Authors: Ma Dongxin , Qiu Yong , Duan Lian 
Published: October 2017

AbstractThe electroluminescent characteristics of two sublimable cationic iridium(III) complexes that bear the same coordinated iridium(III) cation but different tetraphenylborate‐type negative counterions have been investigated. Blue–green‐emitting devices were successfully fabricated from these complexes using various preparation processes, namely, spin‐coating and vacuum evaporation deposition. Experiments indicated that devices with vacuum‐deposited emissive layers showed superior photoelectric properties relative to devices with spin‐coated emissive layers, including a maximum current efficiency of 27.91 cd A−1, an external quantum efficiency of 10.48 %, a power efficiency of 27.73 lm W−1 and the highest luminance of up to 25.34×103 cd m−2, whereas the turn‐on voltages were quite low. The overall device performance surely ranks among the best of phosphorescent organic light‐emitting diodes based on ionic transition‐metal complexes.
Executive attention at 8 years: Concurrent and longitudinal predictors and individual differences
Authors: Joyce Amanda W. , Friedman Denise R. , Wolfe Christy D. , Bell Martha Ann 
Published: October 2017

AbstractExecutive attention, the attention necessary to reconcile conflict among simultaneous attentional demands, is vital to children's daily lives. This attention develops rapidly as the anterior cingulate cortex and prefrontal areas mature during early and middle childhood. However, the developmental course of executive attention is not uniform among children. Therefore, the purpose of this investigation was to examine the role of individual differences in the development of executive attention by exploring the concurrent and longitudinal contributions to its development at 8 years of age. Executive attention was predicted by concurrent measures of frontal electroencephalography, laboratory‐based performance on a conflict task, and parent report of attention. Longitudinally, 8‐year‐old executive attention was significantly predicted by a combination of 4‐year‐old frontal activity, conflict task performance, and parent report of attention focusing, but not with an analogous equation replacing attention focusing with attention shifting. Together, data demonstrate individual differences in executive attention.Highlights

This research examines the role of individual differences in executive attention by exploring concurrent and longitudinal contributions to its development.
Executive attention was predicted by concurrent frontal electroencephalographic, conflict task performance, and parent‐reported attention as well as some longitudinal measures.
Together, data demonstrate individual differences in executive attention.
Maduramicin induces apoptosis and necrosis, and blocks autophagic flux in myocardial H9c2 cells
Authors: Chen Xin , Chen Long , Jiang Shanxiang , Huang Shile 
Published: October 2017

AbstractMaduramicin, a polyether ionophore antibiotic, is widely used as an anticoccidial agent in the poultry industry. It has been reported that maduramicin may cause heart and skeletal muscle cell damage, resulting in heart failure, skeletal muscle degeneration and even death in animals and humans, if improperly used. However, the molecular mechanism behind its capability to cause death of cardiac cells is not known. Here, we show that maduramicin induced apoptosis and necrosis in rat myocardial cells (H9c2). Maduramicin did not apparently upregulate the expression of pro‐apoptotic proteins (e.g., BAD, BAK and BAX) or downregulate the expression of anti‐apoptotic proteins (e.g. Bcl‐2, Bcl‐xL, Mcl‐1 and survivin). Interestingly, maduramicin increased the expression of DR4 and TRAIL, activating caspases 8/3 and triggering cleavage of poly ADP ribose polymerase (PARP). In addition, maduramicin induced nuclear translocation of apoptosis inducing factor. Furthermore, maduramicin blocked autophagic flux, as evidenced by inducing accumulation of both LC3‐II and p62/SQSTM1. Taken together, the above results suggest that maduramicin executes its toxicity in the myocardial cells at least by inducing caspase‐dependent cell death through TRAIL/DR4‐mediated extrinsic pathway and caspase‐independent cell death by inducing apoptosis inducing factor nuclear translocation and blocking autophagic flux. Our findings provide a new insight into the molecular mechanism of maduramicin's toxicity in myocardial cells.
Accuracy of fetal sex determination in the first trimester of pregnancy using 3D virtual reality ultrasound
Authors: Bogers Hein , Rifouna Maria S. , Koning Anton H. J. , Husen‐Ebbinge Margreet , Go Attie T. J. I. , van der Spek Peter J. , Steegers‐Theunissen Régine P. M. , Steegers Eric A. P. , Exalto Niek 
Published: October 2017

AbstractPurposeEarly detection of fetal sex is becoming more popular. The aim of this study was to evaluate the accuracy of fetal sex determination in the first trimester, using 3D virtual reality.MethodsThree‐dimensional (3D) US volumes were obtained in 112 pregnancies between 9 and 13 weeks of gestational age. They were offline projected as a hologram in the BARCO I‐Space and subsequently the genital tubercle angle was measured. Separately, the 3D US aspect of the genitalia was examined for having a male or female appearance.ResultsAlthough a significant difference in genital tubercle angles was found between male and female fetuses, it did not result in a reliable prediction of fetal gender. Correct sex prediction based on first trimester genital appearance was at best 56%.ConclusionOur results indicate that accurate determination of the fetal sex in the first trimester of pregnancy is not possible, even using an advanced 3D US technique.