bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Electronic Structure, and Reactivities of Two‐Sulfur‐Stabilized Carbones Exhibiting Four‐Electron Donor Ability
Authors: Morosaki Tomohito , Iijima Ryo , Suzuki Tsubasa , Wang Wei‐Wei , Nagase Shigeru , Fujii Takayoshi 
Published: March 2017

AbstractBis(sulfane)carbon(0) (BSC; Ph2S→C←SPh2 (1)) is successfully synthesized by deprotonation of the corresponding protonated salt 1⋅HTfO. The diprotonated salt 1⋅(HTfO)2 as the starting material can be also easily accessed by the deimination of iminosulfane(sulfane)carbon(0) (iSSC)⋅HBF4. Density functional theory calculations revealed the peculiar electronic structure of 1, which has two lone pairs of electrons at the central carbon atom. The largest proton affinities (PA(1): 297.5 kcal mol−1; PA(2): 183.7 kcal mol−1) and the highest energy levels of the HOMOs (HOMO: −4.89 eV; HOMO−1: −5.02 eV) for 1 among the two‐sulfur‐stabilized carbones clearly indicate the strong donor ability of carbon center stabilized by two SII ligands. The donating ability of these lone pairs of electrons is demonstrated by the C‐diaurated and C‐proton‐aurated complexes, which provide the first experimental evidence for two‐sulfurstabilized carbones behaving as four‐electron donors. Furthermore, the syntheses and application of AgI carbone complexes as carbone transfer agents are also reported.
Quantum Chemical Dissection of the Shortest P=O⋅⋅⋅I Halogen Bond: The Decisive Role of Crystal Packing Effects
Authors: Schaub Tobias A. , Sure Rebecca , Hampel Frank , Grimme Stefan , Kivala Milan 
Published: March 2017

AbstractA supramolecular arrangement comprising a bridged triarylphoshine oxide and an aryl iodide is reported, featuring the shortest ever reported P=O⋅⋅⋅I halogen bond of 2.683(5) Å in the solid state. X‐ray crystallographic analysis together with modern quantum chemical methods were enlisted to dissect the individual contributions that compelled this exceptionally short halogen bond, pointing out the decisive role of crystal packing effects.
Unsymmetrical Iron P‐NH‐P′ Catalysts for the Asymmetric Pressure Hydrogenation of Aryl Ketones
Authors: Smith Samantha A. M. , Lagaditis Paraskevi O. , Lüpke Anne , Lough Alan J. , Morris Robert H. 
Published: March 2017

AbstractThe reductive amination of α‐dialkylphosphine acetaldehydes with enantiopure β‐aminophosphines is a new, versatile route to unsymmetrical tridentate (pincer) ligands P‐NH‐P′. Four new ligands PR2CH2CH2NHCHR′CHR′′PPh2 (R=iPr, Cy, R′=Ph, CH(CH3)2, R′′=Ph, H) prepared in this way are used to make the iron(II) complexes mer‐FeCl2(CO)(P‐NH‐P′) and mer‐FeCl(H)(CO)(P‐NH‐P′). The hydride complex with the rigid ligand with R′=R′′=Ph is an efficient and highly enantioselective homogeneous asymmetric pressure hydrogenation (APH) catalyst. Prochiral aryl ketones are reduced under mild conditions (THF, 0.1 mol % catalyst, 1 mol % KOtBu, 5–10 bar, 50 °C) to the (S)‐alcohols, usually in enantiomeric excess (ee) greater than 90 %. DFT calculations provided transition‐state structures for the enantiodetermining hydride‐transfer step.
MoS2‐Pt3Au1 Nanocomposites with Enhanced Peroxidase‐Like Activities for Selective Colorimetric Detection of Phenol
Authors: Cai Shuangfei , Han Qiusen , Qi Cui , Wang Xinhuan , Wang Tian , Jia Xinghang , Yang Rong , Wang Chen 
Published: March 2017

AbstractMoS2‐based nanocomposites are emerging as novel versatile materials. Here, uniform Pt3Au1 nanoparticles (NPs) decorated few‐layer MoS2 nanosheets were fabricated as novel enzyme mimics. Compared to pure MoS2 nanosheets, the as‐prepared MoS2‐Pt3Au1 nanocomposites displayed enhanced peroxidase‐like activity. The nanocomposites also possessed well dispersibility and high stability in water. With these findings, a simple, fast and low‐cost colorimetric detection of phenol with high sensitivity and selectivity is developed, which is based on oxidative coupling reaction of phenol and 4‐aminoantipyine in the presence of H2O2 as an oxidant to form pink color products. This work provides a type of MoS2‐NP composites as enzyme mimics for many potential applications in catalysis.
Cytogenetics and comorbidity predict outcomes in older myelodysplastic syndrome patients after allogeneic stem cell transplantation using reduced intensity conditioning
Authors: Yucel Orhan Kemal , Saliba Rima M. , Rondon Gabriella , Ahmed Sairah , Alousi Amin , Bashir Qaiser , Ciurea Stefan O. , Popat Uday , Khouri Isa , Marin David , Rezvani Katy , Kebriaei Partow , Shpall Elizabeth J. , Champlin Richard E. , Oran Betül 
Published: March 2017

BACKGROUNDAllogeneic hematopoietic stem cell transplantation (allo‐HSCT) is the only treatment with a curative potential for myelodysplastic syndrome (MDS) patients. Allo‐HSCT has substantial risks, particularly in the elderly, and its role for older MDS patients has yet to be defined.METHODSWe analyzed 88 MDS patients aged ≥ 60 years with allo‐HSCT after reduced intensity conditioning regimens over the last decade. The study cohort had high risk features; 47 of 88 (53.4%) patients were > 65 years of age, 24 (27%) patients had cytogenetic abnormalities consistent with monosomal karyotype (MKpos), 33 (38%) patients had histological subtype of RAEB‐1 and RAEB‐2 at diagnosis, and 45 (51%) patients had a hematopoietic cell transplantation–comorbidity index (HCT‐CI) of ≥ 3.RESULTSThe 3‐year incidence of progression, transplant‐related mortality (TRM), and overall survival (OS) were 26% (95% confidence interval [CI], 18%‐37%), 35% (95% CI, 26%‐47%), and 41% (95% CI, 30%‐52%), respectively. MKpos was the only prognostic factor that increased the risk of disease progression compared with good‐risk cytogenetics (hazard ratio [HR] = 9.5, P = .003) as well as MKneg (HR = 3.3, P = .01). For TRM, HCT‐CI ≥ 3, but not age >65 years, was associated with worse outcomes (HR = 3.1, P = .007). Cytogenetics and HCT‐CI enabled us to identify prognostic groups for OS. MKpos patients had the worst 3‐year OS (17%), whereas patients with good‐risk cytogenetics and HCT‐CI < 3 had the best OS (92%).CONCLUSIONOur results confirm that allo‐HSCT can provide long‐term survival in older MDS patients. Cytogenetics and HCT‐CI identify prognostic risk groups and guide selection of older MDS patients who are candidates for allo‐HSCT. Cancer 2017;123:2661‐70. © 2017 American Cancer Society.
Sheet‐on‐Sheet Hierarchical Nanostructured C@MnO2 for Zn‐Air and Zn‐MnO2 Batteries
Authors: Li Bing , Chai Jianwei , Ge Xiaoming , An Tao , Lim Poh‐Chong , Liu Zhaolin , Zong Yun 
Published: March 2017

AbstractSheet‐on‐sheet hierarchical composites, MnO2 nanosheets on a microsheet of activated eggplant carbon (AEPC), are synthesized by reducing KMnO4 in its aqueous solution in the presence of AEPC at room temperature followed by thermal annealing in air at 200 °C. This composite, namely AEPC@MnO2, shows enhanced catalytic activity towards oxygen reduction reaction in alkaline electrolyte with high durability. Zn‐air batteries using AEPC@MnO2 as a catalyst in the cathode are found to deliver high discharge voltage and survive long‐term cycling. The sheet‐on‐sheet hierarchical composite with high surface area also equips Zn‐MnO2 batteries with high capacity, high rate capability, high coulombic efficiency and decent cycling stability. The simple preparation and versatile functions make AEPC@MnO2 a promising candidate for electrode materials for a range of practical applications.
A coarse‐to‐fine shape decomposition based on critical points
Authors: Qu Wenyu , Ma Minmin , Li Zhiyang , Stojmenovic Milos , Liu Zhaobin 
Published: March 2017

SummaryThe segmentation of a shape into a series of meaningful parts is a fundamental problem in shape analysis and part‐based object representation. However, it is difficult to make the result of shape segmentation accord with the expectations of humans performing the same task. There is still a need for an effective way to segment the shape although a variety of methods have been proposed. In this paper, we present a novel shape decomposition algorithm, which is implemented in a coarse‐to‐fine manner, taking into account the critical points on the silhouette. First, a part‐cut hypotheses candidate set is generated and classified into 2 categories. Then, the hypotheses with adjacent endpoints are determined first, and later, the other kinds of hypotheses are finely determined by our presented measures such as chord arc ratio and inner angle. We note that the proposed coarse‐to‐fine decomposition conforms to the mechanism of human vision. The extensive experimental results on a large set of shapes show that our algorithm can generate shape decomposition results that better accord with human intuition compared to competing algorithms.
A comparison of two preference elicitation approaches for museum recommendations
Authors: Rossi Silvia , Barile Francesco , Di Martino Sergio , Improta Davide 
Published: March 2017

SummaryRecommendation systems based on collaborative filtering methods can be exploited in the context of providing personalized artworks tours within a museum. However, to be effectively used, we have several problems to be addressed: user preferences are not expressed as rating and recommendation systems must provide for new users efficient and simple preferences elicitation processes that do not require much effort and time. In this work, we present and evaluate 2 state‐of‐the‐art approaches that share the aim not to rely on individual item ratings. The first method uses a clustering algorithm to categorize items and provide recommendations, while the second one is inspired by the matrix factorization approach to select a couples of item groups that users have to evaluate to obtain preference profiles. We evaluate the 2 approaches with both an off‐line simulation and a user study with the aim to find the optimal configuration as well as to evaluate the effectiveness of the 2 proposed methods. Results show that the elicitation processes permit to obtain preference profiles in a time substantially less than the baseline method, while the differences in terms of prediction accuracy are minimal.
A computational scheme to predict dynamics in IoT systems by using particle filter
Authors: Cuomo Salvatore , De Michele Pasquale , Pragliola Monica 
Published: March 2017

SummaryExtract information from data, coming from the real world, is a very fascinating challenge. In the Internet of Things society, sensors, devices, and tools are able to generate a lot of data that could be used to predict behaviours. In this paper, we propose a computational scheme in which the clustering methodology is used to classify information that are adopted as observations of an evolutionary method. A sampling techniques are used to model the unknown of a dynamical system as a random variable, and available information are interpreted as probability density function. The probability density function is approximated by an ensemble of weighted particles. Finally, by using this methodology, we present results on the forecast and track users' behaviours in 2 real‐world case studios.
Modifying the Surface of γ‐Al2O3with Y2Sn2O7Pyrochlore: Monolayer Dispersion Behaviour of Composite Oxides
Authors: Xu Xianglan , Liu Fang , Tian Jinshu , Peng Honggen , Liu Wenming , Fang Xiuzhong , Zhang Ning , Wang Xiang 
Published: March 2017

AbstractTo investigate the dispersion behaviour of composite oxides on supports, and to obtain better supports for Pd for CO oxidation, a series of Y2Sn2O7/Al2O3composite oxides with different Y2Sn2O7loadings were prepared by a deposition–precipitation method. XRD and X‐ray photoelectron spectroscopic extrapolation methods revealed that, similar to single‐component metal oxides, composite oxides can also disperse spontaneously on support surfaces to form a monolayer with a certain capacity. The monolayer dispersion capacity/threshold for Y2Sn2O7on the surface of γ‐Al2O3is 0.109 mmol per 100 m2γ‐Al2O3, corresponding to 7.2 wt % Y2Sn2O7loading. This is the first work to demonstrate monolayer dispersion of a composite oxide on a support. After combining Y2Sn2O7with γ‐Al2O3, active oxygen species can be introduced onto the catalyst surfaces. Thus, the interaction between Pd and the support is strengthened, the dispersion of Pd is improved in comparison with the single‐component Y2Sn2O7support, and a synergistic effect is induced between Pd and the composite support, which is beneficial to catalyst activity. By tuning the γ‐Al2O3surface with different amounts of pyrochlore Y2Sn2O7, CO oxidation activity on 1 % Pd/Y2Sn2O7/Al2O3was improved. These findings may provide new insights into the design and preparation of effective supported noble metal catalysts with lower contents of noble metals.
Building Up Colors: Multilayered Arrays of Peryleneimides on Flat Surfaces and Mesoporous Layers
Authors: George Lijo , Efimova Elena , Sariola‐Leikas Essi , Lahtonen Kimmo , Valden Mika , Vivo Paola , Hakola Hanna , Hiltunen Arto , Efimov Alexander 
Published: March 2017

AbstractNovel monoisomeric perylene imide derivatives with terpyridinyl and pyrrolidinyl substituents were synthesized and deposited onto solid substrates, such as a thin film of Al2O3 and mesoporous TiO2 nanoparticle layer, by using a simple dip‐by‐dip method. Arrays of up to 33 layers were built on Al2O3. In the case of mesoporous TiO2, the interstitial volume between the particles was filled up with dye assemblies. Deposition could produce either layers of microcrystals or molecular layers if an appropriate washing procedure was used. The resultant arrays were studied by means of scanning electron microscopy, X‐ray photoelectron spectroscopy measurements, and UV/Vis absorption.
Increased Electric Conductivity upon I2 Uptake and Gas Sorption in a Pillar‐Layered Metal–Organic Framework
Authors: Li Gao‐Peng , Zhang Kun , Zhao Hai‐Yan , Hou Lei , Wang Yao‐Yu 
Published: March 2017

AbstractThe use of molecular iodine to tune the electrical conductivity in metal–organic frameworks is an effective but seldom investigated strategy. Herein, the single‐crystal‐to‐single‐crystal transformation of [Co1.5(bdc)1.5(H2bpz)]⋅DMF⋅4 H2O (1) to [Co1.5(bdc)1.5(H2bpz)]⋅0.5 I2⋅DMF (I2@1) (H2bdc=1,4‐benzenedicarboxylic acid, H2bpz=3,3′,5,5′‐tetramethyl‐4,4′‐bipyrazole) upon I2 loading caused a three orders of magnitude enhancement in electrical conductivity of the framework. Single‐crystal X‐ray diffraction revealed that I2 exists as a single molecule embedded in the channels of framework, and the C−H⋅⋅⋅I hydrogen bonds between I2 molecules and phenyl units on the porous surface of the framework were suggested to participate in n→σ* host–guest charge transfer, leading to increased electrical conductivity in I2@1. Furthermore, 1 displayed moderate adsorption selectivity for CO2 over CH4 and N2.
Maternal depression during pregnancy is associated with increased birth weight in term infants
Authors: Ecklund‐Flores Lisa , Myers Michael M. , Monk Catherine , Perez Albany , Odendaal Hein J. , Fifer William P. 
Published: March 2017

AbstractPrevious research of maternal depression during pregnancy suggests an association with low birth weight in newborns. Review of these studies reveals predominant comorbidity with premature birth. This current study examines antenatal depression and birth weight in term, medically low‐risk pregnancies. Maternal physiological and demographic measures were collected as well. In total, 227 pregnant women were recruited to participate in four experimental protocols at Columbia University Medical Center. Results indicate that depressed pregnant women who carry to term had significantly higher heart rates, lower heart rate variability, and gave birth to heavier babies than those of pregnant women who were not depressed. Low income participants had significantly higher levels of depression, as well as significantly higher heart rates and lower heart rate variability, than those in higher income groups. In full‐term infants, maternal prenatal depression appears to promote higher birth weight, with elevated maternal heart rate as a likely mediating mechanism.
Differences in flexor and extensor activity during locomotor‐related leg movements in chick embryos
Authors: Sun Soo Yeon , Bradley Nina S. 
Published: March 2017

AbstractPrior to hatching, chick embryos spontaneously produce repetitive limb movements (RLMs), a developmental precursor to walking. During RLMs, flexor and extensor muscles are alternately active as during stance and swing phases of gait. However, previous studies of RLMs observed that flexor muscles were rhythmically active for many cycles, whereas extensors often failed to be recruited. Thus, we asked if flexor muscles are preferentially recruited during RLMs in chick embryos 1 day before hatching and onset of walking. Using a within‐subject design, we compared EMG burst parameters for flexor and extensor muscles acting at the hip or ankle. Findings indicated that flexor burst count exceeded extensor count. Also, flexor muscles were consistently recruited at the lowest levels of neural drive. We conclude that there is a bias favoring flexor muscle recruitment and drive during spontaneously produced RLMs. Potential neural mechanisms and developmental implications of our findings are discussed.
Characteristics of seeking treatment among U.S. adolescents with eating disorders
Authors: Forrest Lauren N. , Smith April R. , Swanson Sonja A. 
Published: March 2017

AbstractObjectiveThe majority of persons with eating disorders (EDs) do not seek ED treatment, yet little is known about treatment‐seeking barriers or facilitators. The aim of the study is to describe the characteristics associated with seeking ED treatment among U.S. adolescents with EDs.MethodData from a nationally representative cross‐sectional study of U.S. adolescents ages 13–18 years were used for these analyses. Specifically, adolescents who met criteria for lifetime EDs (N = 281) were included. Sociodemographic information, characteristics of EDs, psychiatric comorbidities, and other mental health service use were assessed via interview.ResultsOnly 20% of adolescents sought ED treatment. Females were 2.2 (95% CI 0.8, 6.4) times more likely to seek treatment than males (19.9% vs. 8.9%). Adolescents who met criteria for anorexia nervosa or bulimia nervosa were 2.4 (95% CI 0.9, 6.3) and 1.9 (95% CI 1.0, 3.8) times more likely to seek treatment than adolescents who met criteria for binge‐eating disorder (27.5% and 22.3% vs. 11.6%). Specific ED behaviors (restriction and purging), ED‐related impairment, and any mental health service use were also associated with adolescent treatment seeking.DiscussionAdolescent treatment seeking was infrequent overall, with individuals with counter‐stereotypic ED presentations least likely to have sought treatment. Adolescent treatment seeking could be promoted through increasing awareness among the public and healthcare professionals that EDs affect a heterogeneous group of people. More generally, research involving both treatment‐seeking and non‐treatment‐seeking individuals holds great potential to refine the field's knowledge of ED etiology, prevalence, treatment, and prevention.
Integrating biogeography, threat and evolutionary data to explore extinction crisis in the taxonomic group of cycads
Authors: Yessoufou Kowiyou , Daru Barnabas H. , Tafirei Respinah , Elansary Hosam O. , Rampedi Isaac 
Published: March 2017

AbstractWill the ongoing extinction crisis cause a severe loss of evolutionary information accumulated over millions of years on the tree of life? This question has been largely explored, particularly for vertebrates and angiosperms. However, no equivalent effort has been devoted to gymnosperms. Here, we address this question focusing on cycads, the gymnosperm group exhibiting the highest proportion of threatened species in the plant kingdom. We assembled the first complete phylogeny of cycads and assessed how species loss under three scenarios would impact the cycad tree of life. These scenarios are as follows: (1) All top 50% of evolutionarily distinct (ED) species are lost; (2) all threatened species are lost; and (3) only all threatened species in eachIUCNcategory are lost. Finally, we analyzed the biogeographical pattern of cycad diversity hotspots and tested for gaps in the current global conservation network. First, we showed that threatened species are not significantly clustered on the cycad tree of life. Second, we showed that the loss of all vulnerable or endangered species does not depart significantly from random loss. In contrast, the loss of all top 50%ED, all threatened or all critically endangered species, would result in a greater loss ofPD (Phylogenetic Diversity)than expected. To inform conservation decisions, we defined five hotpots of diversity, and depending on the diversity metric used, these hotspots are located in Southern Africa, Australia, Indo‐Pacific, and Mexico and all are found within protected areas. We conclude that the phylogenetic diversity accumulated over millions of years in the cycad tree of life would not survive the current extinction crisis. As such, prioritizing efforts based onEDand concentrating efforts on critically endangered species particularly in southern Africa, Australia, Indo‐Pacific, and Mexico are required to safeguarding the evolutionary diversity in the cycad tree of life.
Adaptative evolution of theVkorc1gene inMus musculus domesticusis influenced by the selective pressure of anticoagulant rodenticides
Authors: Goulois Joffrey , Lambert Véronique , Legros Lionel , Benoit Etienne , Lattard Virginie 
Published: March 2017

AbstractAnticoagulant rodenticides are commonly used to control rodent pests worldwide. They specifically inhibit the vitamin K epoxide reductase (VKORC1), which is an enzyme encoded by theVkorc1gene, involved in the recycling of vitamin K. Therefore, they prevent blood clotting. Numerous mutations ofVkorc1gene were reported in rodents, and some are involved in the resistant to rodenticides phenotype. Two hundred and sixty‐six mice tails were received from 65 different locations in France. Coding sequences ofVkorc1gene were sequenced in order to detect mutations. Consequences of the observed mutations were evaluated by the use of recombinantVKORC1. More than 70% of mice presentedVkorc1mutations. Among these mice, 80% were homozygous. Contrary to brown rats for which only one predominantVkorc1genotype was found in France, nine missense single mutations and four double mutations were observed in house mice. The single mutations lead to resistance to first‐generation antivitamin K (AVKs) only and are certainly associated with the use of these first‐generation molecules by nonprofessionals for the control of mice populations. The double mutations, probably obtained by genetic recombination, lead to in vitro resistance to allAVKs. They must be regarded as an adaptive evolution to the current use of second‐generationAVKs. The intensive use of first‐generation anticoagulants probably allowed the selection of a high diversity of mutations, which makes possible the genetic recombination and consequently provokes the emergence of the more resistant mutatedVkorc1described to date.