bluuebunny/crossref_metadata_2025_split huggingface dataset:
Transfusion‐related adverse events are decreased in pregnant women with sickle cell disease by a change in policy from systematic transfusion to prophylactic oxygen therapy at home: A retrospective survey by the international sickle cell disease observatory
Authors: Ribeil Jean‐Antoine , Labopin Myriam , Stanislas Aurélie , Deloison Benjamin , Lemercier Delphine , Habibi Anoosha , Albinni Souha , Charlier Caroline , Lortholary Olivier , Lefrere François , De Montalembert Mariane , Blanche Stéphane , Galactéros Frédéric , Tréluyer Jean‐Marc , Gluckman Eliane , Ville Yves , Joseph Laure , Delville Marianne , Benachi Alexandra , Cavazzana Marina 
Published: March 2018

AbstractSickle cell disease (SCD) in pregnancy can be associated with adverse maternal and perinatal outcomes. Furthermore, complications of SCD can be aggravated by pregnancy. Optimal prenatal care aims to decrease the occurrence of maternal and fetal complications. A retrospective, French, two‐center study compared two care strategies for pregnant women with SCD over two time periods. In the first study period (2005‐2010), the women were systematically offered prophylactic transfusions. In the second study period (2011‐2014), a targeted transfusion strategy was applied whenever possible, and home‐based prophylactic nocturnal oxygen therapy was offered to all the pregnant women. The two periods did not differ significantly in terms of the incidence of vaso‐occlusive events. Maternal mortality, perinatal mortality, and obstetric complication rates were also similar in the two periods, as was the incidence of post‐transfusion complications (6.1% in 2005‐2010 and 1.3% in 2011‐2014, P = .15), although no de novo alloimmunizations or delayed hemolysis transfusion reactions were observed in the second period. The results of this preliminary, retrospective study indicate that targeted transfusion plus home‐based prophylactic nocturnal oxygen therapy is safe and may decrease transfusion requirements and transfusion‐associated complications.
Mutations in VPS13D lead to a new recessive ataxia with spasticity and mitochondrial defects
Authors: Seong Eunju , Insolera Ryan , Dulovic Marija , Kamsteeg Erik‐Jan , Trinh Joanne , Brüggemann Norbert , Sandford Erin , Li Sheng , Ozel Ayse Bilge , Li Jun Z. , Jewett Tamison , Kievit Anneke J. A. , Münchau Alexander , Shakkottai Vikram , Klein Christine , Collins Catherine A. , Lohmann Katja , van de Warrenburg Bart P. , Burmeister Margit 
Published: March 2018

ObjectiveTo identify novel causes of recessive ataxias, including spinocerebellar ataxia with saccadic intrusions, spastic ataxias, and spastic paraplegia.MethodsIn an international collaboration, we independently performed exome sequencing in 7 families with recessive ataxia and/or spastic paraplegia. To evaluate the role of VPS13D mutations, we evaluated a Drosophila knockout model and investigated mitochondrial function in patient‐derived fibroblast cultures.ResultsExome sequencing identified compound heterozygous mutations in VPS13D on chromosome 1p36 in all 7 families. This included a large family with 5 affected siblings with spinocerebellar ataxia with saccadic intrusions (SCASI), or spinocerebellar ataxia, recessive, type 4 (SCAR4). Linkage to chromosome 1p36 was found in this family with a logarithm of odds score of 3.1. The phenotypic spectrum in our 12 patients was broad. Although most presented with ataxia, additional or predominant spasticity was present in 5 patients. Disease onset ranged from infancy to 39 years, and symptoms were slowly progressive and included loss of independent ambulation in 5. All but 2 patients carried a loss‐of‐function (nonsense or splice site) mutation on one and a missense mutation on the other allele. Knockdown or removal of Vps13D in Drosophila neurons led to changes in mitochondrial morphology and impairment in mitochondrial distribution along axons. Patient fibroblasts showed altered morphology and functionality including reduced energy production.InterpretationOur study demonstrates that compound heterozygous mutations in VPS13D cause movement disorders along the ataxia–spasticity spectrum, making VPS13D the fourth VPS13 paralog involved in neurological disorders. Ann Neurol 2018
Palaeoproteomic Profiling of Conservation Layers on a 14th Century Italian Wall Painting
Authors: Mackie Meaghan , Rüther Patrick , Samodova Diana , Di Gianvincenzo Fabiana , Granzotto Clara , Lyon David , Peggie David A. , Howard Helen , Harrison Lynne , Jensen Lars Juhl , Olsen Jesper V. , Cappellini Enrico 
Published: March 2018

AbstractAhead of display, a non‐original layer was observed on the surface of a fragment of a wall painting by Ambrogio Lorenzetti (active 1319, died 1348/9). FTIR analysis suggested proteinaceous content. Mass spectrometry was used to better characterise this layer and revealed two protein components: sheep and cow glue and chicken and duck egg white. Analysis of post‐translational modifications detected several photo‐oxidation products, which suggest that the egg experienced prolonged exposure to UV light and was likely applied long before the glue layer. Additionally, glycation products detected may indicate naturally occurring glycoprotein degradation or reaction with a carbohydrate material such as starch, identified by ATR‐FTIR in a cross‐section of a sample taken from the painting. Palaeoproteomics is shown to provide detailed characterisation of organic layers associated with mural paintings and therefore aids reconstruction of the conservation history of these objects.
Monitoring of the ADP/ATP Ratio by Induced Circularly Polarised Europium Luminescence
Authors: Shuvaev Sergey , Fox Mark A. , Parker David 
Published: March 2018

AbstractA series of three europium complexes bearing picolyl amine moieties was found to possess differing binding affinities towards Zn2+ and three nucleotides: AMP, ADP, and ATP. A large increase in the total emission intensity was observed upon binding Zn2+, followed by signal amplification upon the addition of nucleotides. The resulting adducts possessed strong induced circularly polarised emission, with ADP and ATP signals of opposite sign. Model DFT geometries of the adducts suggest the Δ diastereoisomer is preferred for ATP and the Λ isomer for ADP/AMP. This change in sign allows the ADP/ATP (or AMP/ATP) ratio to be assessed by monitoring changes in the emission dissymmetry factor, gem.
Atom‐Economic Silver‐Catalyzed Difunctionalization of the Isocyano Group with Cyclic Oximes: Towards Pyrimidinediones
Authors: Liang Hong‐Wen , Yang Zhen , Jiang Kun , Ye Ying , Wei Ye 
Published: March 2018

AbstractAn unprecedented silver‐catalyzed difunctionalization of the isocyano group with cyclic oximes is described. This method allows efficient and atom‐economic assembly of a vast array of structurally novel and interesting pyrimidinediones, and tolerates a range of functionalities. The resulting products can be easily converted into some useful compounds. Furthermore, the method can also be applied for the late‐stage modification of a few biologically active molecules.
Modified High‐Nickel Cathodes with Stable Surface Chemistry Against Ambient Air for Lithium‐Ion Batteries
Authors: You Ya , Celio Hugo , Li Jianyu , Dolocan Andrei , Manthiram Arumugam 
Published: March 2018

AbstractHigh‐Ni layered oxides are promising next‐generation cathodes for lithium‐ion batteries owing to their high capacity and lower cost. However, as the Ni content increases over 70 %, they have a high dynamic affinity towards moisture and CO2 in ambient air, primarily reacting to form LiOH, Li2CO3, and LiHCO3 on the surface, which is commonly termed “residual lithium”. Air exposure occurs after synthesis as it is common practice to handle and store them under ambient conditions. The air exposure leads to significant performance losses, and hampers the electrode fabrication, impeding their practical viability. Herein, we show that substituting a small amount of Al for Ni in the crystal lattice notably improves the chemical stability against air by limiting the formation of LiOH, Li2CO3, LiHCO3, and NiO in the near‐surface region. The Al‐doped high‐Ni oxides display a high capacity retention with excellent rate capability and cycling stability after being exposed to air for 30 days.
Halogenaromatische π‐Wechselwirkungen modulieren die Verweilzeit von Inhibitoren
Authors: Heroven Christina , Georgi Victoria , Ganotra Gaurav K. , Brennan Paul , Wolfreys Finn , Wade Rebecca C. , Fernández‐Montalván Amaury E. , Chaikuad Apirat , Knapp Stefan 
Published: March 2018

AbstractLängere Verweilzeiten vom Wirkstoff am Zielmolekül (Target) können zu länger anhaltender Arzneimittelwirksamkeit, verbesserten pharmakodynamischen Eigenschaften und kinetischer Selektivität gegenüber Antitargets mit schnellen Dissoziationsraten führen. Bisher wurden nur wenige Strategien gefunden, um die Verweilzeit des Wirkstoffs rational zu modulieren und dadurch diese Schlüsseleigenschaft in den Medikamentenentwicklungsprozess zu integrieren. Die Wechselwirkung zwischen einem Halogenrest am Inhibitor und einer aromatischen Seitenkette im Zielprotein kann die Inhibitorverweilzeit signifikant erhöhen. Als Modell für den archetypischen Bindungsmodus eines ATP‐kompetitiven Typ‐I‐Inhibitors mit einer konstitutiv aktiven Kinase wurde die Wechselwirkung der Serin/Threonin‐Kinase Haspin mit 5‐Iodotubercidin(5‐iTU)‐Derivaten verwendet und gezeigt, dass die Inhibitorverweilzeit deutlich mit der Größe und Polarisierbarkeit des Halogenatoms zunimmt. Mithilfe kinetischer, thermodynamischer und struktureller Messungen sowie Bindungsenergieberechnungen liefern wir eine detaillierte mechanistische Charakterisierung der halogenaromatischen π‐Interaktionen in Haspin‐Inhibitor‐Komplexen.
Side Methyl Groups Control the Conformation and Contribute to Symmetry Breaking of Isoprenoid Chromophores
Authors: Fiedor Leszek , Pilch Mariusz 
Published: March 2018

AbstractAb initio DFT computations reveal that the essential structural and photophysical features of the conjugated π‐electron system of retinal and carotenoids are dictated by “innocent” methyl substituents. These methyl groups shape the conformation and symmetry of the isoprenoid chromophores by causing a sigmoidal distortion of the polyene skeleton and increasing its flexibility, which facilitates fitting to their binding pockets in proteins. Comparison of in vacuo conformations of the chromophores with their native (protein‐bound) conformations showed, surprisingly, that the peripheral groups and interactions with the protein environment are much less significant than the methyl side groups in tuning their structural features. The methyl side groups also contribute to a loss of symmetry elements specific to linear polyenes. In effect, the symmetry‐imposed restrictions on the chromophore electronic properties are disabled, which is of tremendous relevance to their photophysics. This is evidenced by their non‐negligible permanent dipole moments and by the simulated and experimentally measured circular dichroism spectra, which necessarily reflect the chirality of the conjugated π‐electron system.
Doppelbindungen? Untersuchungen der Rotationsbarrieren von cumulenischen C=C‐Bindungen in Tetraaryl[n]cumulenen (n=3, 5, 7, 9)
Authors: Bühringer Martina U. , Padberg Kevin , Phleps Martin D. , Maid Harald , Placht Christian , Neiss Christian , Ferguson Michael J. , Görling Andreas , Tykwinski Rik R. 
Published: March 2018

AbstractBindungen spielen in der organischen Chemie eine wesentliche Rolle, jedoch wurde die Stärke von C=C‐Bindungen in [n]Cumulenen als Funktion zunehmender Kettenlänge für Verbindungen mit n>5 noch nicht experimentell nachgewiesen. Die Synthese einer Serie von apolaren, unsymmetrisch substituierten Tetraaryl[n]cumulenen (n=3, 5, 7, 9) wurde entwickelt und die Rotationsbarrieren für die Z/E‐Isomerisierung mit dynamischer VT‐NMR‐Spektroskopie ermittelt. Sowohl das Experiment als auch die Theorie bestätigen eine deutliche Abnahme der Rotationsbarriere (durch Bestimmung von ΔG≠rot für die Isomerisierung) von >24 zu 19 zu 15 zu 11 kcal−1 in [n]Cumulenen mit n=3, 5, 7, 9. Folglich führt die Abnahme der cumulenischen Bindung bei längeren Cumulenen zu Rotationsbarrieren, die eher charakteristisch für eine sterisch gehinderte Einfachbindung als für eine Doppelbindung sind.
Double Bonds? Studies on the Barrier to Rotation about the Cumulenic C=C Bonds of Tetraaryl[n]cumulenes (n=3, 5, 7, 9)
Authors: Bühringer Martina U. , Padberg Kevin , Phleps Martin D. , Maid Harald , Placht Christian , Neiss Christian , Ferguson Michael J. , Görling Andreas , Tykwinski Rik R. 
Published: March 2018

AbstractBonding is a fundamental aspect of organic chemistry, yet the magnitude of C=C bonding in [n]cumulenes as a function of increasing chain length has yet to be experimentally verified for derivatives longer than n=5. The synthesis of a series of apolar and unsymmetrically substituted tetraaryl[n]cumulenes (n=3, 5, 7, 9) was developed and rotational barriers for Z/E isomerization were measured using dynamic VTNMR spectroscopy. Both experiment and theory confirm a dramatic reduction in the rotational barrier (through estimation of ΔG≠rot for the isomerization) across the series, from >24 to 19 to 15 to 11 kcal−1 in [n]cumulenes with n=3, 5, 7, 9, respectively. The reduction in cumulenic bonding in longer cumulenes thus affords bond rotational barriers that are more characteristic of a sterically hindered single bond than that of a double bond.
Employing an Unsaturated Th4+ Site in a Porous Thorium–Organic Framework for Kr/Xe Uptake and Separation
Authors: Wang Yanlong , Liu Wei , Bai Zhuanling , Zheng Tao , Silver Mark A. , Li Yuxiang , Wang Yaxing , Wang Xia , Diwu Juan , Chai Zhifang , Wang Shuao 
Published: March 2018

AbstractActinide based metal–organic frameworks (MOFs) are unique not only because compared to the transition‐metal and lanthanide systems they are substantially less explored, but also owing to the uniqueness of actinide ions in bonding and coordination. Now a 3D thorium–organic framework (SCU‐11) contains a series of cages with an effective size of ca. 21×24 Å. Th4+ in SCU‐11 is 10‐coordinate with a bicapped square prism coordination geometry, which has never been documented for any metal cation complexes. The bicapped position is occupied by two coordinated water molecules that can be removed to afford a very unique open Th4+ site, confirmed by X‐ray diffraction, color change, thermogravimetry, and spectroscopy. The degassed phase (SCU‐11‐A) exhibits a Brunauer–Emmett–Teller surface area of 1272 m2 g−1, one of the highest values among reported actinide materials, enabling it to sufficiently retain water vapor, Kr, and Xe with uptake capacities of 234 cm3 g−1, 0.77 mmol g−1, 3.17 mmol g−1, respectively, and a Xe/Kr selectivity of 5.7.
A Multicontrolled Enamine Configurational Switch Undergoing Dynamic Constitutional Exchange
Authors: Ren Yansong , Svensson Per H. , Ramström Olof 
Published: March 2018

AbstractA multiresponsive enamine‐based molecular switch is presented, in which forward/backward configurational rotation around the C=C bond could be precisely controlled by the addition of an acid/base or metal ions. Fluorescence turn‐on/off effects and large Stokes shifts were observed while regulating the switching process with CuII. The enamine functionality furthermore enabled double dynamic regimes, in which configurational switching could operate in conjunction with constitutional enamine exchange of the rotor part. This behavior was used to construct a prototypical dynamic covalent switch system through enamine exchange with primary amines. The dynamic exchange process could be readily turned on/off by regulating the switch status with pH.
Preparation of 4‐(4‐hydroxyphenoxy)phenol diglycidyl ether with improved toughness behavior
Authors: Liu Caizhao , Sun Mingming , Zhang Bin , Zhang Xugang , Li Jianhui , Xue Gang , Wang Lei , Zhao Ming , Song Caiyu , Li Qili , Jia Jingxia 
Published: March 2018

ABSTRACTA high‐performance difunctional epoxy resin, 4‐(4‐hydroxyphenoxy)phenol diglycidyl ether (DHPOP), was synthesized by a two‐step method. The curing behavior of DHPOP was investigated by nonisothermal differential scanning calorimetry method and the curing kinetics results revealed that the introduction of ether linkage could improve the activity of epoxy groups, leading to a lower curing temperature and apparent activation energy compared with that of the commercial bisphenol‐A diglycidyl ether (DGEBA). A series of copolymers were then prepared by varying the mass ratio of DHPOP and DGEBA, which were cured with 4,4′‐diaminodiphenyl methane. The effect of DHPOP contents on thermal and mechanical properties and fracture morphology was studied. As expected, with the increase of DHPOP in the network, the impact strength and char yield were significantly enhanced, while the glass transition temperature (Tg) remained unchanged because of the increase of crosslink density. The excellent toughness endows the DHPOP with the promising potential for the application as high‐performance resin matrix. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46458.
Rheological behavior of high‐density polyethylene (HDPE) filled with paper mill sludge
Authors: Soucy Joël , Godard François , Rivard Pierre , Koubaa Ahmed 
Published: March 2018

ABSTRACTA comparative study was conducted of composites made with sludge from three different paper mills. Sludges were obtained from a thermomechanical pulp (TMP), a chemico‐TMP (CTMP), and a Kraft mill with a feedstock of primarily black spruce. The primary sludge (PS) and secondary sludge (SS) were mixed at two different ratios (PS:SS = 7:3 and 9:1) and blended with high‐density polyethylene (HDPE) at 20%, 30%, and 40% proportion. The blends were tested using plate–plate geometry before subjection to frequency sweep by oscillation rheometry. The storage modulus (G′), loss modulus (G″), and complex viscosity (η*) increased with increasing paper sludge content. Decreasing the PS:SS ratio from 9:1 to 7:3 decreased G′, G″, and η*. Differential scanning calorimetry showed that sludge addition increased both the melting and crystallization temperature, for a positive effect on crystallinity. Although the behavior of sludge–high‐density polyethylene blends differed from that of traditional wood plastic composite made with wood flour, they obtained G′, G″, and η* values of the same magnitude. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46484.
Synthesis of statistical PET/PEN random block copolymers and their crystallizability in the bulk and at the surface
Authors: Shinotsuka Kei , Assender Hazel E. , Claridge Timothy D. W. 
Published: March 2018

ABSTRACTA series of PET/PEN copolyesters were synthesized by molten transesterification. The degree of randomness and the sequence length of the copolymers were determined by 1H NMR spectroscopy, and the changes in the bulk glass transition temperature (TgB), bulk crystallization temperature (TcB), and bulk melting temperature (TmB) were observed by DSC. A clear relationship was obtained between the observed enthalpy of melting (ΔHm) and degree of randomness (B), and TmB was suppressed for the midcompositions. As with their homopolymer counterparts, there was significant depression in crystallization temperature at the surface (TcS) of the random/block copolymers compared with the bulk, and so surface‐localized crystallization could be induced in spin‐coated thick films (thickness ranging from ca. 400 to 700 nm) by annealing at a temperature in which the surface region is mobile, but the bulk is not. The formation of these clear surface crystals allows the morphology to be directly imaged by AFM, and we observed that the crystallizability and the lamellar morphology of the surface crystals deviated from those of the original homopolymers, depending on the mixing ratio of PET/PEN and degree of randomness. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46515.
Raspberry Pi–powered imaging for plant phenotyping
Authors: Tovar Jose C. , Hoyer J. Steen , Lin Andy , Tielking Allison , Callen Steven T. , Elizabeth Castillo S. , Miller Michael , Tessman Monica , Fahlgren Noah , Carrington James C. , Nusinow Dmitri A. , Gehan Malia A. 
Published: March 2018

Premise of the StudyImage‐based phenomics is a powerful approach to capture and quantify plant diversity. However, commercial platforms that make consistent image acquisition easy are often cost‐prohibitive. To make high‐throughput phenotyping methods more accessible, low‐cost microcomputers and cameras can be used to acquire plant image data.Methods and ResultsWe used low‐cost Raspberry Pi computers and cameras to manage and capture plant image data. Detailed here are three different applications of Raspberry Pi–controlled imaging platforms for seed and shoot imaging. Images obtained from each platform were suitable for extracting quantifiable plant traits (e.g., shape, area, height, color) en masse using open‐source image processing software such as PlantCV.ConclusionsThis protocol describes three low‐cost platforms for image acquisition that are useful for quantifying plant diversity. When coupled with open‐source image processing tools, these imaging platforms provide viable low‐cost solutions for incorporating high‐throughput phenomics into a wide range of research programs.
Comparison of taxon‐specific versus general locus sets for targeted sequence capture in plant phylogenomics
Authors: Chau John H. , Rahfeldt Wolfgang A. , Olmstead Richard G. 
Published: March 2018

Premise of the StudyTargeted sequence capture can be used to efficiently gather sequence data for large numbers of loci, such as single‐copy nuclear loci. Most published studies in plants have used taxon‐specific locus sets developed individually for a clade using multiple genomic and transcriptomic resources. General locus sets can also be developed from loci that have been identified as single‐copy and have orthologs in large clades of plants.MethodsWe identify and compare a taxon‐specific locus set and three general locus sets (conserved ortholog set [COSII], shared single‐copy nuclear [APVO SSC] genes, and pentatricopeptide repeat [PPR] genes) for targeted sequence capture inBuddleja(Scrophulariaceae) and outgroups. We evaluate their performance in terms of assembly success, sequence variability, and resolution and support of inferred phylogenetic trees.ResultsThe taxon‐specific locus set had the most target loci. Assembly success was high for all locus sets inBuddlejasamples. For outgroups, general locus sets had greater assembly success. Taxon‐specific andPPRloci had the highest average variability. The taxon‐specific data set produced the best‐supported tree, but all data sets showed improved resolution over previous non‐sequence capture data sets.DiscussionGeneral locus sets can be a useful source of sequence capture targets, especially if multiple genomic resources are not available for a taxon.