bluuebunny/crossref_metadata_2025_split huggingface dataset:
Axially Substituted Silicon Phthalocyanine as Electron Donor in a Dyad and Triad with Azafullerene as Electron Acceptor for Photoinduced Charge Separation
Authors: Rotas Georgios , Martín‐Gomis Luis , Ohkubo Kei , Fernández‐Lázaro Fernando , Fukuzumi Shunichi , Tagmatarchis Nikos , Sastre‐Santos Ángela 
Published: September 2016

AbstractThe synthesis of a donor–acceptor silicon phthalocyanine (SiPc)‐azafullerene (C59N) dyad 1 and of the first acceptor–donor–acceptor C59N‐SiPc‐C59N dumbbell triad 2 was accomplished. The two C59N‐based materials were comprehensively characterized with the aid of NMR spectroscopy, MALDI‐MS as well as DFT calculations and their redox and photophysical properties were evaluated with CV and steady‐state and time‐resolved absorption and photoluminescence spectroscopy measurements. Notably, femtosecond transient absorption spectroscopy assays revealed that both dyad 1 and triad 2 undergo, after selective photoexcitation of the SiPc moiety, photoinduced electron transfer from the singlet excited state of the SiPc moiety to the azafullerene counterpart to produce the charge‐separated state, with lifetimes of 660 ps, in the case of dyad 1, and 810 ps, in the case of triad 2. The current results are expected to have significant implications en route to the design of advanced C59N‐based donor–acceptor systems targeting energy conversion applications.
Molecular Dissociation on the SiC(0001) 3×3 Surface
Authors: Sonnet Philippe , Stauffer Louise , Gille Marie , Bléger David , Hecht Stefan , Cejas Cesare , Dujardin Gérald , Mayne Andrew J. 
Published: September 2016

AbstractIn the framework of density functional theory, the adsorption of the halogenated polycyclic aromatic hydrocarbon 2,11‐diiodohexabenzocoronene (HBC‐I2) on the SiC(0001) 3×3 surface has been investigated. Nondissociative and dissociative molecular adsorption is considered, and simulated scanning tunneling microscopy (STM) images are compared with the corresponding experimental observations. Calculations show that dissociative adsorption is favorable and reveal the crucial importance of the extended flat carbon core on molecule–surface interactions in dissociative adsorption; the iodine atom–surface interaction is of minor importance. Indeed, removing iodine atoms does not significantly affect the STM images of the central part of the molecule. This study shows that the dissociation of large halogenated polycyclic aromatic hydrocarbon molecules can occur on the SiC surface. This opens up interesting perspectives in the chemical reactivity and functionalization of wide band gap semiconductors.
Structural and Theoretical Study of Salts of the [B9H14]− Ion: Isolation of Multiple Isomers and Implications for Energy Storage
Authors: Kelley Steven P. , McCrary Parker D. , Flores Luis , Garner Edward B. , Dixon David A. , Rogers Robin D. 
Published: September 2016

AbstractInvited for this month's cover are the research groups of Prof. Robin Rogers, based at McGill University, and Prof. David Dixon, based at The University of Alabama. The cover picture shows two isomers of [B9H14]− which coexist in a crystalline salt, the mirror symmetric form on the left and the unsymmetrical form on the right. Read the full text of the article at 10.1002/cplu.201600270.
The Conversion of Starch and Sugars into Branched C10 and C11 Hydrocarbons
Authors: Sutton Andrew D. , Kim Jin K. , Wu Ruilian , Hoyt Caroline B. , Kimball David B. , Silks Louis A. , Gordon John C. 
Published: September 2016

AbstractInvited for this month′s cover are Andrew Sutton and John Gordon and their co‐workers at Los Alamos National Laboratory. The image illustrates a concept of using biomass to derived fuel and fuel molecules through simple catalytic transformations. The Communication itself is available at 10.1002/cssc.201600669.
Diagnostic screening of paroxysmal nocturnal hemoglobinuria: Prospective multicentric evaluation of the current medical indications
Authors: Morado Marta , Freire Sandes Alex , Colado Enrique , Subirá Dolores , Isusi Paloma , Soledad Noya María , Belén Vidriales María , Sempere Amparo , Ángel Díaz José , Minguela Alfredo , Álvarez Beatriz , Serrano Cristina , Caballero Teresa , Rey Mercedes , Pérez Corral Ana , Cristina Fernández Jiménez María , Magro Elena , Lemes Angelina , Benavente Celina , Bañas Helena , Merino Juana , Castejon Celine , Gutierrez Olivier , Rabasa Pilar , Vescosi Gonçalves Matheus , Perez‐Andres Martin , Orfao Alberto ,   on behalf of the PNH working group of the Iberian Society of Cytometry (SIC)
Published: September 2016

BackgroundAlthough consensus guidelines have been proposed in 2010 for the diagnostic screening of paroxysmal nocturnal hemoglobinuria (PNH) by flow cytometry (FCM), so far no study has investigated the efficiency of such medical indications in multicentric vs. reference laboratory settings.MethodsHere we evaluate the efficiency of consensus medical indications for PNH testing in 3,938 peripheral blood samples submitted to FCM testing in 24 laboratories in Spain and one reference center in Brazil.ResultsOverall, diagnostic screening based on consensus medical indications was highly efficient (14% of PNH+ samples) both in the multicenter setting in Spain (10%) and the reference laboratory in Brazil (16%). The highest frequency of PNH+ cases was observed among patients screened because of bone marrow (BM) failure syndrome (33%), particularly among those with aplastic anemia (AA; 45%) and to a less extent also a myelodysplastic syndrome (MDS; 10%). Among the other individuals studied, the most efficient medical indications for PNH screening included: hemolytic anemia (19%), hemoglobinuria (48%) and unexplained cytopenias (9%). In contrast, only a minor fraction of the patients who had been submitted for PNH testing because of unexplained thrombosis in the absence of cytopenia, were positive (0.4%).ConclusionsIn summary, our results demonstrate that the current medical indications for PNH screening by FCM are highly efficient, although improved screening algorithms are needed for patients presenting with thrombosis and normal blood cell counts. © 2016 International Clinical Cytometry Society
The potential for deep groundwater use by Acacia papyrocarpa (Western myall) in a water‐limited environment
Authors: Steggles Emma K. , Holland Kate L. , Chittleborough David J. , Doudle Samantha L. , Clarke Laurence J. , Watling Jennifer R. , Facelli José M. 
Published: September 2016

AbstractKnowledge regarding the use of groundwater by plants has implications for successful mine rehabilitation and revegetation programs in water‐limited environments. In this study, we combined several approaches to investigate water sources used by Acacia papyrocarpa (Western myall) in the far west of South Australia, including stable isotopes, water potential, groundwater and soil chemistry, and root mapping techniques. Plant δ18O signatures and water potentials were compared against a range of possible sources: rainwater, surface soil water (≤1 m depth), and deep groundwater (>20 m depth). Our aim was to determine whether groundwater contributed to the mix of waters used by A. papyrocarpa.Overall, we found that trees did not source surface soil water (≤1 m), and probably sourced deep soil water (i.e. >1 m) rather than deep groundwater. Groundwater, however, could not be dismissed as a potential source, as root mapping showed tree roots were capable of reaching groundwater at depths >20 m, and isotope results indicated a potential contribution by groundwater to tree water use. However, low osmotic potentials and/or high acidity levels were shown to pose likely barriers to groundwater uptake, at least at the time of sampling. We conclude that because groundwater salinity and acidity are spatially variable in this region, plants with extensive root systems may be able to utilize zones of groundwater with lower salinity and pH levels. Overall, this study contributes to our limited understanding of groundwater use by trees occurring in water‐limited environments where groundwater is extremely deep (>20 m depth).
Biofuel and Methyl Levulinate from Biomass‐Derived Fractional Condensed Pyrolysis Oil and Alcohol
Authors: Westerhof Roel. J. M. , Oudenhoven Stijn R G. , Hu Xun , Heeres Hero J. , Li Chun‐Zhu , Garcia‐Perez Manuel , Kersten Sascha R. A. 
Published: September 2016

AbstractThe aim of this research was to evaluate the potential for the stabilization of biomass‐derived pyrolysis oils by using acid‐catalyzed (Amberlyst 70) reactions with alcohol (T=140–170 °C, P≈20 bar (1 bar=105 Pa)). The alcohol‐stabilized oils were further upgraded by catalytic hydrotreatment (T=400 °C, non‐sulfided NiMo/Al2O3 catalyst) to give a biofuel. The concept was evaluated experimentally in terms of overall mass and energy balances and biofuel properties. The pyrolysis oil used in this study was obtained by fractional condensation of pyrolysis vapors and had a very low water content that favored the equilibrium conversion of the stabilization reactions. The energy efficiency was between 44 and 48 %. Preliminary results with acid‐leached biomass showed that 43 % of levoglucosan in the pyrolysis oil was converted into methyl levulinate after the pyrolysis oil was purified. The proposed integrated concept of alcoholysis can be applied locally at the pyrolysis oil production site.
Using UAV acquired photography and structure from motion techniques for studying glacier landforms: application to the glacial flutes at Isfallsglaciären
Authors: Ely Jeremy C. , Graham Conor , Barr Iestyn D. , Rea Brice R. , Spagnolo Matteo , Evans Jeff 
Published: September 2016

AbstractGlacier and ice sheet retreat exposes freshly deglaciated terrain which often contains small‐scale fragile geomorphological features which could provide insight into subglacial or submarginal processes. Subaerial exposure results in potentially rapid landscape modification or even disappearance of the minor‐relief landforms as wind, weather, water and vegetation impact on the newly exposed surface. Ongoing retreat of many ice masses means there is a growing opportunity to obtain high resolution geospatial data from glacier forelands to aid in the understanding of recent subglacial and submarginal processes. Here we used an unmanned aerial vehicle to capture close‐range aerial photography of the foreland of Isfallsglaciären, a small polythermal glacier situated in Swedish Lapland. An orthophoto and a digital elevation model with ~2 cm horizontal resolution were created from this photography using structure from motion software. These geospatial data was used to create a geomorphological map of the foreland, documenting moraines, fans, channels and flutes. The unprecedented resolution of the data enabled us to derive morphological metrics (length, width and relief) of the smallest flutes, which is not possible with other data products normally used for glacial landform metrics mapping. The map and flute metrics compare well with previous studies, highlighting the potential of this technique for rapidly documenting glacier foreland geomorphology at an unprecedented scale and resolution. The vast majority of flutes were found to have an associated stoss‐side boulder, with the remainder having a likely explanation for boulder absence (burial or erosion). Furthermore, the size of this boulder was found to strongly correlate with the width and relief of the lee‐side flute. This is consistent with the lee‐side cavity infill model of flute formation. Whether this model is applicable to all flutes, or multiple mechanisms are required, awaits further study. © 2016 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.
Bioturbation by gophers and marmots and its effects on conifer germination
Authors: Whitesides Clayton J. , Butler David R. 
Published: September 2016

AbstractAlthough climate has been shown to have a considerable influence on alpine forest dynamics, many fine‐scale processes contribute to observable forest patterns. Disturbances created by burrowing mammals may provide conifer seedlings with refuge in previously inhospitable environments and may result in conifer invasion that is not directly associated with climate change. In Olympic National Park, Washington, USA, Olympic marmot (Marmota olympus) populations have declined. Abandoned marmot burrows, which may provide ideal sites for conifer establishment, now dot the alpine landscape. Similarly, in Glacier National Park, Montana, USA, pocket gophers (Thomomys talpoides) have disturbed large areas of alpine meadows at treeline. Field and laboratory analysis of gopher eskers and spoil mounds of abandoned marmot burrows illustrated that such sites are less compacted than soils in adjacent, undisturbed locations. Additionally, disturbed soils contained higher amounts of phosphorus and lower amounts of potassium and organic matter. Soils disturbed by gophers were cooler at the surface and warmer at depth than undisturbed soils, whereas marmot‐disturbed soils were warmer at the surface and cooler at depth. Experimental seed germination of subalpine fir (Abies lasiocarpa) was higher on mammal‐disturbed soils, and this was statistically significant for marmot‐disturbed soils. These findings suggest that fossorial mammal disturbances have the potential to affect conifer germination and establishment. Furthermore, this research initiates the dialogue for future research on the distinct morphological and behavioral influences of different fossorial mammals as zoogeomorphic agents and ecosystem engineers. Copyright © 2016 John Wiley & Sons, Ltd.
Predictive value of molecular remissions postconsolidation chemotherapy in patients with Core Binding Factor Acute Myeloid Leukemia (CBF‐AML) – a single center analysis
Authors: Deotare Uday , Shaheen Marwan , Brandwein Joseph M. , Pitcher Bethany , Kamel‐Reid Suzanne , Yee Karen W.L. , Schimmer Aaron , Minden Mark D. , Gupta Vikas , Schuh Andre C. 
Published: September 2016

AbstractWe analyzed the outcome of 80 sequential patients with core binding factor acute myeloid leukemia and evaluated the influence of molecular monitoring by quantitative reverse transcriptase polymerase chain reaction. With a median follow‐up of 5 years, the estimated 5‐year relapse‐free survival and overall survival were 58% and 66%, respectively. Patients who were in molecular remission at the completion of consolidation chemotherapy had a 21% risk of relapse, while the relapse risk for those in molecular remission at the end of 2 years was 5.5%. Our data indicate that postconsolidation molecular remission does not necessarily preclude disease relapse and further monitoring is required. In contrast, molecular negativity by quantitative reverse transcriptase polymerase chain reaction at the end of 2 years is associated with a low risk of relapse.
BRAFV600E and MAP2K1 mutations in Langerhans cell histiocytosis occur predominantly in children
Authors: Zeng Kaixuan , Ohshima Koichi , Liu Yixiong , Zhang Weichen , Wang Lu , Fan Linni , Li Mingyang , Li Xia , Wang Zhe , Guo Shuangping , Yan Qingguo , Guo Ying 
Published: September 2016

AbstractLangerhans cell histiocytosis (LCH) is a proliferative disease of CD1a+/CD207+ dendritic cells. Recurrent BRAFV600E and MAP2K1 mutations have been reported in LCH. To investigate the relationship among the mutation, clinical findings, and differentiation status of LCH, respectively, we studied 97 cases of LCH by using Sanger sequencing and immunohistochemistry. The mutually exclusive BRAFV600E and MAP2K1 mutation rates were 32% and 17.5%, respectively. All MAP2K1 mutations were missense mutations without any in‐frame deletions; 2 new recurrent missense mutations (ie, p.E38K and p.P105S) were also found. More BRAFV600E and MAP2K1 mutations occurred in children compared with those in adult patients (P = .001), and BRAF mutation was correlated with relapse (P = .009). To the differentiation‐related markers, the BRAF/MAP2K1‐mut LCH expressed CD14 but rarely expressed CD83 or CD86 (P < .001). On the contrary, BRAF/MAP2K1‐wt LCH cells rarely expressed CD14 but expressed CD86, and some also expressed CD83 (P < .001). This indicated that the BRAF/MAP2K1‐mut LCH cells had a more immature state than BRAF/MAP2K1‐wt LCH cells. Moreover, we also found the BRAFV600E and MAP2K1 mutations were significantly associated with pERK expression (P < .001). Therefore, the RAS/RAF/MEK/ERK pathway might play a more important role in children than in adult patients with LCH.
Magnesium alloys: A stony pathway from intensive research to clinical reality. Different test methods and approval‐related considerations
Authors: Willbold Elmar , Weizbauer Andreas , Loos Anneke , Seitz Jan‐Marten , Angrisani Nina , Windhagen Henning , Reifenrath Janin 
Published: September 2016

AbstractThe first degradable implant made of a magnesium alloy, a compression screw, was launched to the clinical market in March 2013. Many different complex considerations are required for the marketing authorization of degradable implant materials. This review gives an overview of existing and proposed standards for implant testing for marketing approval. Furthermore, different commonin vitroandin vivotesting methods are discussed. In some cases, animal tests are inevitable to investigate the biological safety of a novel medical material. The choice of an appropriate animal model is as important as subsequent histological examination. Furthermore, this review focuses on the results of various mechanical tests to investigate the stability of implants for temporary use. All the above aspects are examined in the context of development and testing of magnesium‐based biomaterials and their progress them from bench to bedside. A brief history of the first market launch of a magnesium‐based degradable implant is given. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 329–347, 2017.
Harmonization Study Between LC‐MS/MS and Diasorin RIA for Measurement of 25‐Hydroxyvitamin D Concentrations in a Large Population Survey
Authors: Berry Diane J. , Dutton John , Fraser William D. , Järvelin Marjo‐Riitta , Hyppönen Elina 
Published: September 2016

BackgroundPopulation‐based research on vitamin D has increased dramatically in recent years. Such studies are typically reliant on assay procedures to measure reliable and comparable levels of 25‐hydroxyvitamin D [25(OH)D] concentrations.MethodsConcentrations of 25(OH)D3 and 25(OH)D2 were measured using LC‐MS/MS in 5,915 participants (aged 31 years) of Northern Finland Birth Cohort 1966. Blood samples were assayed in batches over a course of 18 months. As anomalies were present in the measurements, 200 samples were reassayed using Diasorin RIA. Agreement between measurements was assessed by Passing–Bablok regression and limits of agreement (LoA). To harmonize LC‐MS/MS with Diasorin RIA measurements, formulae were derived from the LoA.ResultsConcentrations measured by LC‐MS/MS were much higher than those measured by Diasorin RIA, with a mean difference of 12.9 ng/ml. Constant variation was evident between batch measurements after log transformation. Statistical formula was applied separately for each batch of LC‐MS/MS measurements, enabling us to remove both the constant and proportional bias that was evident prior to the transformation.ConclusionDespite the introduction of schemes/programs to improve accuracy of assays to measure 25(OH)D, significant differences can still happen. In these instances, methods to harmonize measurements based on a relatively small number of replicates can be successfully applied to establish confidence and to enable between‐study comparisons.
Determination of Fetal RHD Genotype Including the RHD Pseudogene in Maternal Plasma
Authors: Ziza Karen Chinoca , Liao Adolfo Wenjaw , Dezan Marcia , Dinardo Carla Luana , Jens Eduardo , Francisco Rossana Pulcineli Vieira , Junior Alfredo Mendrone , Zugaib Marcelo , Levi José Eduardo 
Published: September 2016

ObjectiveTo examine the accuracy of fetal RHD genotype and RHD pseudogene determination in a multiethnical population.MethodsProspective study involving D‐negative pregnant women. Cell‐free DNA was extracted from 1 ml of maternal plasma by an automated system (MagNA Pure Compact, Roche) and real‐time PCR was performed in triplicate targeting the RHD gene exons 5 and 7. Inconclusive samples underwent RHD pseudogene testing by real‐time PCR analysis employing novel primers and probe.ResultsA positive result was observed in 128/185 (69.2%) samples and negative in 50 (27.0%). Umbilical cord blood phenotype confirmed all cases with a positive or negative PCR result. Seven (3.8%) cases were found inconclusive (exon 7 amplification only) and RHD pseudogene testing with both conventional and real‐time PCR demonstrated a positive result in five of them, while two samples were also RHD pseudogene negative.ConclusionReal‐time PCR targeting RHD exons 5 and 7 simultaneously in maternal plasma is an accurate method for the diagnosis of fetal D genotype in our population. The RHD pseudogene real‐time PCR assay is feasible and is particularly useful in populations with a high prevalence of this allele.
Suitability of Watershed Models to Predict Distributed Hydrologic Response in the Awramba Watershed in Lake Tana Basin
Authors: Moges Mamaru A. , Schmitter Petra , Tilahun Seifu A. , Langan Simon , Dagnew Dessalegn C. , Akale Adugnaw T. , Steenhuis Tammo S. 
Published: September 2016

AbstractPlanning effective landscape interventions is an important tool to fight against land degradation and requires knowledge on spatial distribution of runoff. The objective of this paper was to test models that predict temporal and spatial distribution of runoff. The selected models were parameter‐efficient semi‐distributed watershed model (PED‐WM), Hydrologiska Byrans Vattenbalansavdelning integrated hydrological modeling system (HBV‐IHMS), and Soil and Water Assessment Tool (SWAT). We choose 7‐km2 Awramba watershed in the Lake Tana basin with detailed hydrological information for testing these models. Discharge at the outlet, rainfall, and distributed information on infiltration rates, water table, and extent of the saturated area were collected from 2013 to 2015. The maximum saturated area was 6·5% of the watershed. Infiltration rates exceeded rainfall intensities 91% of the time. Hence, saturation excess runoff was the main runoff mechanism. Models were calibrated for the rainy seasons in 2013 and 2014 and validated for 2015. For daily flow validation, the PED‐WM model (Nash–Sutcliff efficiency, NSE = 0·61) outperformed HBV‐IHMS (NSE = 0·51) and SWAT (NSE = 0·48). Performance on monthly time step was similar. Difference in model behavior depended on runoff mechanism. In PED‐WM, saturation excess is the main direct runoff process and could predict the maximum extent of the saturated area closely at 6·9%. HBV‐IHMS model runoff simulation depended on soil moisture status and evapotranspiration, and hence was able to simulate saturation excess flow but not the extent of the saturated area. SWAT, where infiltration excess is the main runoff mechanism, could only predict the monthly discharges well. This study shows that prevailing runoff mechanisms and distribution of runoff source areas should be used for proper model selection. Copyright © 2016 John Wiley & Sons, Ltd.