bluuebunny/crossref_metadata_2025_split huggingface dataset:
Forearm pronation efficiency in A.L. 288‐1 (Australopithecus afarensis) and MH2 (Australopithecus sediba): Insights into their locomotor and manipulative habits
Authors: Ibáñez‐Gimeno Pere , Manyosa Joan , Galtés Ignasi , Jordana Xavier , Moyà‐Solà Salvador , Malgosa Assumpció 
Published: September 2017

AbstractObjectivesThe locomotor and manipulative abilities of australopithecines are highly debated in the paleoanthropological context. Australopithecus afarensis and Australopithecus sediba likely engaged in arboreal locomotion and, especially the latter, in certain activities implying manipulation. Nevertheless, their degree of arboreality and the relevance of their manipulative skills remain unclear. Here we calculate the pronation efficiency of the forearm (Erot) in these taxa to explore their arboreal and manipulative capabilities using a biomechanical approach.Materials and methodsThree‐dimensional humeral images and upper limb measurements of A.L. 288‐1 (Au. afarensis) and MH2 (Au. sediba) were used to calculate Erot using a previously described biomechanical model.ResultsMaximal Erot in elbow flexion occurs in a rather supinated position of the forearm in Au. afarensis, similarly to Pan troglodytes. In elbow extension, maximal Erot in this fossil taxon occurs in the same forearm position as in Pongo spp. In Au. sediba the forearm positions where Erot is maximal are largely coincident with those for Hylobatidae.ConclusionsThe pattern in Au. afarensis suggests relevant arboreal capabilities, which would include vertical climbing, although it is suggestive of poorer manipulative skills than in modern humans. The similarity between Au. sediba and Hylobatidae is difficult to interpret, but the differences between Au. sediba and Au. afarensis suggest that the capacity to rotate the forearm followed different evolutionary processes in these australopithecine species. Although functional inferences from the upper limb are complex, the observed differences between both taxa point to the existence of two distinct anatomical models.
Cove‐Edge Nanoribbon Materials for Efficient Inverted Halide Perovskite Solar Cells
Authors: Castro Edison , Sisto Thomas J. , Romero Elkin L. , Liu Fang , Peurifoy Samuel R. , Wang Jue , Zhu Xiaoyang , Nuckolls Colin , Echegoyen Luis 
Published: September 2017

AbstractTwo cove‐edge graphene nanoribbons hPDI2‐Pyr‐hPDI2 (1) and hPDI3‐Pyr‐hPDI3 (2) are used as efficient electron‐transporting materials (ETMs) in inverted planar perovskite solar cells (PSCs). Devices based on the new graphene nanoribbons exhibit maximum power‐conversion efficiencies (PCEs) of 15.6 % and 16.5 % for 1 and 2, respectively, while a maximum PCE of 14.9 % is achieved with devices based on [6,6]‐phenyl‐C61‐butyric acid methyl ester (PC61BM). The interfacial effects induced by these new materials are studied using photoluminescence (PL), and we find that 1 and 2 act as efficient electron‐extraction materials. Additionally, compared with PC61BM, these new materials are more hydrophobic and have slightly higher LUMO energy levels, thus providing better device performance and higher device stability.
Asymmetric Cycloisomerization of o‐Alkenyl‐N‐Methylanilines to Indolines by Iridium‐Catalyzed C(sp3)−H Addition to Carbon–Carbon Double Bonds
Authors: Torigoe Takeru , Ohmura Toshimichi , Suginome Michinori 
Published: September 2017

AbstractHighly enantioselective cycloisomerization of N‐methylanilines, bearing o‐alkenyl groups, into indolines is established. An iridium catalyst bearing a bidentate chiral diphosphine effectively promotes the intramolecular addition of the C(sp3)−H bond across a carbon–carbon double bond in a highly enantioselective fashion. The reaction gives indolines bearing a quaternary stereogenic carbon center at the 3‐position. The reaction mechanism involves rate‐determining oxidative addition of the N‐methyl C−H bond, followed by intramolecular carboiridation and subsequent reductive elimination.
Mechanical properties of poly(ethylene terephthalate) nanofiber three‐dimensional structure prepared by CO2 laser supersonic drawing
Authors: Suzuki Akihiro , Ohta Kouhei 
Published: September 2017

ABSTRACTCO2‐laser supersonic drawing method can produce bulky fluffy poly(ethylene terephthalate) (PET) nanofibers (NFs) by only irradiating CO2‐laser to as‐spun PET fibers in the supersonic air jet. Cylindrical PET NF three‐dimensional structure (NF‐3DS) was fabricated by compression‐molding the obtained fluffy PET NFs using the cylindrical metal mold. NF‐3DS mold was completely disordered 3DS without a laminated structure because NFs were disorderly packed in the metal mold. The porosity of NF‐3DS can be changed by varying the filling weight of NF into the metal mold, and the highest porosity was 95.4%. The shape recovery ratio after 50% uniaxial compression in the height of NF‐3DS increases as the porosity increases, and NF‐3DS with a porosity of 95.4% had a shape recovery ratio of 98.1%. NF‐3DS with a desired shape will be produced if the metal mold can be prepared. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45763.
Pulsed radiofrequency stimulation suppresses palmar hyperhidrosis in an animal study
Authors: Lin Mu‐Lien , Huang Tzu‐Rung , Kao Ming‐Chien , Chiu Hung‐Wei , Lin Sheng‐Chieh , Chang Fang‐Chia 
Published: September 2017

AbstractObjectivesPalmar hyperhidrosis (PH) exhibits excessive and unpredictable sweating. The most effective treatment for permanent cure is the ablation of thoracic sympathetic ganglia innervating hands. However, sympathectomy of T2 sympathetic ganglion by clipping or cauterization causes irreversible nerve damage, and results in a compensatory hyperhidrosis (CH). We herein used the pulsed radiofrequency (PRF) stimulation to reversibly block sympathetic ganglion to treat PH and avoid CH.Material and MethodsA bipolar electrode was implanted into the right T2 sympathetic trunk by endoscopic surgery and PRF was delivered through the electrode. The humidity (%) of right palm was measured to indicate sweating level.ResultsSix out of 13 rats (46.2%) that received a 5‐min PRF stimulation on the T2 sympathetic trunk showed a decrease in the right palm humidity during the surgery. PRF stimulation significantly reduced humidity from 69.17% ± 0.72% obtained from baseline condition to 66.93% ± 0.69%. The humidity reduction was also observed at 10 min after the PRF stimulation. We further evaluated the effect of PRF stimulation 1 week after surgery and found that the PRF stimuli reduced right hand humidity in 5 out of 8 rats (62.5%). PRF stimulation significantly reduced humidity from 66.11% ± 0.81% obtained from sham operation control to 63.62% ± 0.82%. The percentage of right hand humidity obtained 10 min after PRF stimulation was also reduced to 63.38% ± 0.80%. Anesthetics have no effect on humidity.ConclusionsThese results indicate that PRF stimulation of T2 sympathetic trunk reduces palm sweating in rats.
Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding
Authors: Lehner Florian , Kudlinzki Denis , Richter Christian , Müller‐Werkmeister Henrike M. , Eberl Katharina B. , Bredenbeck Jens , Schwalbe Harald , Silvers Robert 
Published: September 2017

AbstractThe impact of the incorporation of a non‐natural amino acid (NNAA) on protein structure, dynamics, and ligand binding has not been studied rigorously so far. NNAAs are regularly used to modify proteins post‐translationally in vivo and in vitro through click chemistry. Herein, structural characterisation of the impact of the incorporation of azidohomoalanine (AZH) into the model protein domain PDZ3 is examined by means of NMR spectroscopy and X‐ray crystallography. The structure and dynamics of the apo state of AZH‐modified PDZ3 remain mostly unperturbed. Furthermore, the binding of two PDZ3 binding peptides are unchanged upon incorporation of AZH. The interface of the AZH‐modified PDZ3 and an azulene‐linked peptide for vibrational energy transfer studies has been mapped by means of chemical shift perturbations and NOEs between the unlabelled azulene‐linked peptide and the isotopically labelled protein. Co‐crystallisation and soaking failed for the peptide‐bound holo complex. NMR spectroscopy, however, allowed determination of the protein–ligand interface. Although the incorporation of AZH was minimally invasive for PDZ3, structural analysis of NNAA‐modified proteins through the methodology presented herein should be performed to ensure structural integrity of the studied target.
Heterogeneous Systems Biocatalysis: The Path to the Fabrication of Self‐Sufficient Artificial Metabolic Cells
Authors: López‐Gallego Fernando , Jackson Erienne , Betancor Lorena 
Published: September 2017

AbstractIndustrial biocatalysis is playing a key role in the development of the global bio‐economy that must change our current productive model to pair the socio‐economical development with the preservation of our already harmed planet. The exploitation of isolated multi‐enzyme systems and the discovery of novel biocatalytic activities are leading us to manufacture chemicals that were inaccessible through biological routes in the early past. These endeavors have been grouped under the concept of systems biocatalysis. However, by using isolated biological machineries, fundamental features underlying the protein confinement found inside the living cells are missed. To re‐gain these properties, such concepts can be expanded to a new concept; heterogeneous systems biocatalysis. This new concept is based on the fabrication of heterogeneous biocatalysts inspired by the spatial organization and compartmentalization that orchestrate metabolic pathways within cells. By assembling biological machineries (including enzymes and cofactors) into artificial solid chassis, one can fabricate self‐sufficient and robust cell‐free systems able to catalyze orchestrated chemical processes. Furthermore, the confinement of enzymes and and “artificial cofactor” inside solid materials has also attracted our attention because these self‐sufficient systems exert de novo and non‐natural functionalities. Here, we intend to go beyond immobilization of multi‐enzyme systems, discussing only those enzymatic systems that have been co‐immobilized with their cofactor or exogenous partners to enhance their cooperative action. In this article, we review the latest architectures developed to fabricate self‐sufficient heterogeneous biocatalysts with application in chemical manufacturing, biosensing or energy production.
Molecular‐Level Processing of Si‐(B)‐C Materials with Tailored Nano/Microstructures
Authors: Schmidt Marion , Durif Charlotte , Acosta Emanoelle Diz , Salameh Chrystelle , Plaisantin Hervé , Miele Philippe , Backov Rénal , Machado Ricardo , Gervais Christel , Alauzun Johan G. , Chollon Georges , Bernard Samuel 
Published: September 2017

AbstractThe design of Si‐(B)‐C materials is investigated, with detailed insight into the precursor chemistry and processing, the precursor‐to‐ceramic transformation, and the ceramic microstructural evolution at high temperatures. In the early stage of the process, the reaction between allylhydridopolycarbosilane (AHPCS) and borane dimethyl sulfide is achieved. This is investigated in detail through solid‐state NMR and FTIR spectroscopy and elemental analyses for Si/B ratios ranging from 200 to 30. Boron‐based bridges linking AHPCS monomeric fragments act as crosslinking units, extending the processability range of AHPCS and suppressing the distillation of oligomeric fragments during the low‐temperature pyrolysis regime. Polymers with low boron contents display appropriate requirements for facile processing in solution, leading to the design of monoliths with hierarchical porosity, significant pore volume, and high specific surface area after pyrolysis. Polymers with high boron contents are more appropriate for the preparation of dense ceramics through direct solid shaping and pyrolysis. We provide a comprehensive study of the thermal decomposition mechanisms, and a subsequent detailed study of the high‐temperature behavior of the ceramics produced at 1000 °C. The nanostructure and microstructure of the final SiC‐based ceramics are intimately linked to the boron content of the polymers. B4C/C/SiC nanocomposites can be obtained from the polymer with the highest boron content.
Optimizing Toxic Chemical Removal through Defect‐Induced UiO‐66‐NH2 Metal–Organic Framework
Authors: Peterson Gregory W. , Destefano Matthew R. , Garibay Sergio J. , Ploskonka Ann , McEntee Monica , Hall Morgan , Karwacki Christopher J. , Hupp Joseph T. , Farha Omar K. 
Published: September 2017

AbstractFor the first time, an increasing number of defects were introduced to the metal–organic framework UiO‐66‐NH2 in an attempt to understand the structure–activity trade‐offs associated with toxic chemical removal. It was found that an optimum exists with moderate defects for toxic chemicals that react with the linker, whereas those that require hydrolysis at the secondary building unit performed better when more defects were introduced. The insights obtained through this work highlight the ability to dial‐in appropriate material formulations, even within the same parent metal–organic framework, allowing for trade‐offs between reaction efficiency and mass transfer.
Management of precancerous anal intraepithelial lesions in human immunodeficiency virus–positive men who have sex with men: Clinical effectiveness and cost‐effectiveness
Authors: Deshmukh Ashish A. , Chiao Elizabeth Y. , Cantor Scott B. , Stier Elizabeth A. , Goldstone Stephen E. , Nyitray Alan G. , Wilkin Timothy , Wang Xiaojie , Chhatwal Jagpreet 
Published: September 2017

BACKGROUNDHuman immunodeficiency virus (HIV)–positive men who have sex with men (MSM) are at disproportionately high risk for anal cancer. There is no definitive approach to the management of high‐grade squamous intraepithelial lesions (HSIL), which are precursors of anal cancer, and evidence suggests that posttreatment adjuvant quadrivalent human papillomavirus (qHPV) vaccination improves HSIL treatment effectiveness. The objectives of this study were to evaluate the optimal HSIL management strategy with respect to clinical effectiveness and cost‐effectiveness and to identify the optimal age for initiating HSIL management.METHODSA decision analytic model of the natural history of anal carcinoma and HSIL management strategies was constructed for HIV‐positive MSM who were 27 years old or older. The model was informed by the Surveillance, Epidemiology, and End Results–Medicare database and published studies. Outcomes included the lifetime cost, life expectancy, quality‐adjusted life expectancy, cumulative risk of cancer and cancer‐related deaths, and cost‐effectiveness from a societal perspective.RESULTSActive monitoring was the most effective approach in patients 29 years or younger; thereafter, HSIL treatment plus adjuvant qHPV vaccination became most effective. When cost‐effectiveness was considered (ie, an incremental cost‐effectiveness ratio [ICER] < $100,000/quality‐adjusted life‐year), do nothing was cost‐effective until the age of 38 years, and HSIL treatment plus adjuvant qHPV vaccination was cost‐effective beyond the age of 38 years (95% confidence interval, 34‐43 years). The ICER decreased as the age at HSIL management increased. Outcomes were sensitive to the rate of HSIL regression or progression and the cost of high‐resolution anoscopy and biopsy.CONCLUSIONSThe management of HSIL in HIV‐positive MSM who are 38 years old or older with treatment plus adjuvant qHPV vaccination is likely to be cost‐effective. The conservative approach of no treatment is likely to be cost‐effective in younger patients. Cancer 2017;123:4709‐4719. © 2017 American Cancer Society.
How to write a plugin to export job, power, energy, and system environmental data from your Cray® XC™ system
Authors: Martin Steven , Whitney Cary , Rush David , Kappel Matthew 
Published: September 2017

SummaryIn this paper, we take a deep dive into writing a plugin to export power, energy, and other system environmental data from a Cray® XC™ system. With the release of the System Management Workstation 8.0 software, Cray has enabled customers to create site‐specific plugins to export all of the data that can flow into the Cray Power Management Database into site‐specific infrastructure. In this paper, we give practical information on what data are available using the plugin, and how to write, test, and deploy a plugin. We also share and explain example plugin code, detail design considerations when architecting a plugin, and look at some practical use cases supported by exporting telemetry data off a Cray® XC™ system. This paper is targeted at plugin developers, system administrators, data scientists, and site planners. The plugin feature was developed by Cray in response to discussions with and requirements from select members of the CUG XTreme SIG. This paper demonstrates lessons learned developing prototype plugins that export data off Cray® XC™ systems using Kafka, Redis Pub/Sub, and RabbitMQ. This plugin capability is in‐use internally at Cray, used in production at NERSC, and is under consideration for deployment on systems at LANL and Sandia.
Preface to Special Issue of ChemSusChem on Perovskite Optoelectronics
Authors: Bolink Henk J. , Mhaisalkar Subodh G. 
Published: September 2017

AbstractThis Editorial introduces one of two companion Special Issues on “Halide Perovskites for Optoelectronics Applications” in ChemSusChem and Energy Technology following the ICMAT 2017 Conference in Singapore. More information on the other Special Issue can be found in the Editorial published in Energy Technology.
A novel Cre‐inducible knock‐in ARL13B‐tRFP fusion cilium reporter
Authors: Schmitz Felizitas , Burtscher Ingo , Stauber Michael , Gossler Achim , Lickert Heiko 
Published: September 2017

SummaryCilia play a major role in the regulation of numerous signaling pathways and are essential for embryonic development. Mutations in genes affecting ciliary function can cause a variety of diseases in humans summarized as ciliopathies. To facilitate the detection and visualization of cilia in a temporal and spatial manner in mouse tissues, we generated a Cre‐inducible cilium‐specific reporter mouse line expressing an ARL13B‐tRFP fusion protein driven by a CMV enhancer/chicken β actin promotor (pCAG) from the Hprt locus. We detected bright and specific ciliary signals by immunostainings of various mono‐ and multiciliated tissues and by time‐lapse live‐cell analysis of cultured embryos and organ explant cultures. Additionally, we monitored cilium assembly and disassembly in embryonic fibroblast cells using live‐cell imaging. Thus, the ARL13B‐tRFP reporter mouse strain is a valuable tool for the investigation of ciliary structure and function in a tissue‐specific manner to understand processes, such as ciliary protein trafficking or cilium‐dependent signaling in vitro and in vivo.
Refining the cheatgrass–fire cycle in the Great Basin: Precipitation timing and fine fuel composition predict wildfire trends
Authors: Pilliod David S. , Welty Justin L. , Arkle Robert S. 
Published: September 2017

AbstractLarger, more frequent wildfires in arid and semi‐arid ecosystems have been associated with invasion by non‐native annual grasses, yet a complete understanding of fine fuel development and subsequent wildfire trends is lacking. We investigated the complex relationships among weather, fine fuels, and fire in the Great Basin, USA. We first modeled the annual and time‐lagged effects of precipitation and temperature on herbaceous vegetation cover and litter accumulation over a 26‐year period in the northern Great Basin. We then modeled how these fine fuels and weather patterns influence subsequent wildfires. We found that cheatgrass cover increased in years with higher precipitation and especially when one of the previous 3 years also was particularly wet. Cover of non‐native forbs and native herbs also increased in wet years, but only after several dry years. The area burned by wildfire in a given year was mostly associated with native herb and non‐native forb cover, whereas cheatgrass mainly influenced area burned in the form of litter derived from previous years’ growth. Consequently, multiyear weather patterns, including precipitation in the previous 1–3 years, was a strong predictor of wildfire in a given year because of the time needed to develop these fine fuel loads. The strong relationship between precipitation and wildfire allowed us to expand our inference to 10,162 wildfires across the entire Great Basin over a 35‐year period from 1980 to 2014. Our results suggest that the region's precipitation pattern of consecutive wet years followed by consecutive dry years results in a cycle of fuel accumulation followed by weather conditions that increase the probability of wildfire events in the year when the cycle transitions from wet to dry. These patterns varied regionally but were strong enough to allow us to model annual wildfire risk across the Great Basin based on precipitation alone.
Atrial fibrillation modifies the association between pulmonary artery wedge pressure and left ventricular end‐diastolic pressure
Authors: Dickinson Michael G. , Lam Carolyn S. , Rienstra Michiel , Vonck Ton E. , Hummel Yoran M. , Voors Adriaan A. , Hoendermis Elke S. 
Published: September 2017

AimsDuring right heart catheterization, pulmonary artery wedge pressure (PAWP) is often assumed to reflect left ventricular filling pressure. We sought to determine the impact of atrial fibrillation (AF) on the relationship between PAWP and left ventricular filling pressure, as measured by left ventricular end‐diastolic pressure (LVEDP).Methods and resultsWe performed simultaneous left and right heart catheterization in 123 patients (mean age 69 years, 28% with AF) referred for suspicion of pulmonary hypertension (PH). The correlation between PAWP and LVEDP was moderate (R2 = 0.42). The relationship between PAWP and LVEDP was modified by heart rhythm (P for interaction <0.01). In sinus rhythm, PAWP underestimated LVEDP (Bland–Altman mean difference: −2.96 mmHg, limits of agreement 6.6 to −12.5; R2 = 0.54), whereas in AF, PAWP overestimated LVEDP (Bland–Altman mean difference: 4.76 mmHg; limits of agreement: 12.2 to –3.3; R2 = 0.58). These differences impacted the differentiation between pre‐ and post‐capillary PH, dependent on the use of either PAWP or LVEDP. In AF, post‐capillary PH based on PAWP would have been classified as pre‐capillary PH in 35% of patients if based on LVEDP. The opposite is true for sinus rhythm where 31% of pre‐capillary PH based on PAWP would have been classified as post‐capillary PH if based on LVEDP.ConclusionThe relationship between PAWP and LVEDP varies by heart rhythm, with PAWP being higher than LVEDP among AF patients and lower than LVEDP among patients in sinus rhythm. Rhythm status and influences on the PAWP–LVEDP relationship should be considered when distinguishing between pre‐capillary and post‐capillary PH.
Preface to Special Issue of Energy Technology on Perovskite Optoelectronics
Authors: Mhaisalkar Subodh G. , Bolink Henk J. 
Published: September 2017

AbstractThis Editorial introduces one of two companion Special Issues on “Halide Perovskites for Optoelectronics Applications” in Energy Technology and ChemSusChem following the ICMAT 2017 Conference in Singapore. More information on the other Special Issue can be found in the Editorial published in ChemSusChem.