bluuebunny/crossref_metadata_2025 huggingface dataset:
Risk stratification in stable coronary artery disease
Authors: Aye T. , Graham R.
Published: March 2017

Coronary artery disease is a very common chronic condition affecting large numbers of people across the world. Once detected the natural history of coronary disease is very variable between individuals. Hence, the assessment of symptoms and current burden of disease is a key determinant for the recommendation of drug treatments and other interventions, for example, revascularization, with the aim of improving the quality and quantity of a patient's life. We here review our current approach to assessing the risk of future cardiovascular events in patients presenting with stable coronary artery disease.

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A review of the current management of acute and chronic heart failure in the context of ischemic heart disease
Authors: Brown P. F. , Thambyrajah J.
Published: March 2017

Heart failure secondary to left ventricular systolic dysfunction is a prevalent condition across Europe with ischemic heart disease the most common etiology. Acute heart failure is a medical emergency and management comprises diuretics and vasodilators. Several alternative intravenous treatments have been trialed in recent years but no mortality benefit has been found with these agents. For chronic heart failure there are several well‐characterized disease‐modifying treatments available which include beta blockers, ACE inhibitors, mineralocorticoid antagonists, and device therapy. Sacubitril/valsartan is a novel therapy that has recently been demonstrated to have additional prognostic benefit.

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Escherichia coli Biofilm Characteristics on Polymeric Heat Exchanger Surfaces
Authors: Pohl Sebastian , Madzgalla Marco , Manz Werner , Bart Hans-Jörg
Published: March 2017

Time‐dependent effects on the apparent roughness and surface free energy of different polymeric surfaces and stainless steel were studied during the biofouling process for Escherichia coli K12. The surface roughness increases during primary adhesion of E. coli on the surfaces and is later reduced as the surface between scattered bacteria is completely covered, forming a uniform biofilm. During the fouling process, the polar fraction of the surface free energy significantly increased, whereas the dispersive fraction decreased for all substrates. The attachment of E. coli and subsequent bacterial production of extracellular polymeric substances increased the polarity of the initially nonpolar polymeric surfaces to increase wettability.
Minimum Spouting Velocity of Draft Tube Conical Spouted Beds Using the Neural Network Approach
Authors: Hosseini Seyyed H. , Valizadeh Mohammadreza , Olazar Martin , Altzibar Haritz
Published: March 2017

A multilayer perceptron with back‐propagation learning algorithm is developed to predict the minimum spouting velocity (ums) in draft tube conical spouted beds. Six dimensionless variables involving ten essential geometric and operating parameters of the beds were taken as model inputs. To compare the model results with both experimental data and those predicted by the limited existing empirical equations, the root mean square error and the mean relative error are utilized. Although there is a complex relationship between the input variables and ums, and despite the huge number of data available, the steps of training and testing show good agreement with the corresponding experimental values. This demonstrates that an artificial neural network is a useful approach to predict ums, especially when the relationship between the geometric and operating parameters and ums is complex and difficult to define.
Characterization of a Raman Spectroscopic and Holographic System for Gas‐Liquid Flows in Microchannels
Authors: Schurr Daniela , Guhathakurta Jajnabalkya , Simon Sven , Rinke Günter , Dittmeyer Roland
Published: March 2017

The description and prediction of the highly transient processes on the molecular scale in gas‐liquid Taylor flows in microchannels are a great challenge. Due to a lack of in situ measurement techniques with satisfactory spatial and temporal resolution, existing models and numerical simulations of reactive two‐phase flows are poorly developed. The Raman spectroscopic and holographic system presented herein overcomes shortcomings regarding the high temporal resolution and concomitant difficulties with the high energy densities that must be coupled into microstructured devices to give good limits of detection. It gives insight into the concentration profiles in the liquid phase within the microchannel to study the interaction between hydrodynamics, mass transport, and reaction kinetics.
A Flexible Method for the Stable, Covalent Immobilization of Enzymes at Electrode Surfaces
Authors: Al‐Lolage Firas A. , Meneghello Marta , Ma Su , Ludwig Roland , Bartlett Philip N.
Published: March 2017

Stable, site‐specific immobilization of redox proteins and enzymes is of interest for the development of biosensors and biofuel cells, where the long‐term stability of enzymatic electrodes as well as the possibility of controlling the orientation of the biomolecules at the electrode surface have a great importance. Ideally, it would be desirable to immobilize redox proteins and enzymes in a specific orientation, but still with some flexibility to optimize reaction kinetics. In this work, we establish such an approach by using site‐directed mutagenesis to introduce cysteine residues at specific locations on the protein surface and the reaction between the free thiol group and maleimide groups attached to the electrode surface to immobilize the mutated enzymes. Using cellobiose dehydrogenase (CDH) as a model system, carbon nanotube electrodes were first covalently modified with maleimide groups following a modular approach based on electrografting of primary amines at the carbon surface and solid‐phase synthesis methodology to elaborate the surface‐modified electrode. The CDH‐modified electrodes were tested for direct electron transfer (DET), showing high catalytic currents as well as excellent long‐term storage stability. The key advantage of this method is its great flexibility, as the main components of the modification can be independently varied to change the local environment at the electrode surface and a wide range of redox proteins or enzymes can be specifically engineered to present cysteine residues at their surface for oriented immobilization.
Linear, Trinuclear Cobalt Complexes with o‐Phenylene‐bis‐Silylamido Ligands
Authors: Monakhov Kirill Yu. , van Leusen Jan , Kögerler Paul , Zins Emilie‐Laure , Alikhani M. Esmaïl , Tromp Moniek , Danopoulos Andreas A. , Braunstein Pierre
Published: March 2017

Transamination of [Co{N(SiMe3)2}2]2 with C6H4(NHSiiPr3)2 gave the centrosymmetric trinuclear [{CoterN(SiMe3)2(μ‐η‐[o‐C6H4(κNSiiPr3)2])}2Coint] (1) (Coter, Coint=terminal, internal Co, respectively), with 3‐coordinate Coter, and Coint “sandwiched” between the o‐phenylenes of the two ligands; experimental and computational data support CoII centres and ditopic o‐amido‐imino‐cyclohexen‐allyl ligands; magnetic studies reveal intermetallic ferromagnetic interactions and single‐molecule magnet (SMM) character. One‐electron reduction of 1 yielded the salt [K(18‐crown‐6)(THF)2][{CoterN(SiMe3)2(μ‐η‐[o‐C6H4(κNSiiPr3)2])}2Coint] (4) with the anion isostructural to 1. The centrosymmetric Fe complex [{FeterN(SiMe3)2(μ‐η‐[o‐C6H4(κNSiiPr3)2])}2Feint] (5), analogous to 1, was also obtained.
Solvent‐Regulated Self‐Assembly of an Achiral Donor–Acceptor Complex in Confined Chiral Nanotubes: Chirality Transfer, Inversion and Amplification
Authors: Li Yuangang , Duan Pengfei , Liu Minghua
Published: March 2017

A chiral gelator was designed and found to form chiral nanotwists and nanotubes in toluene and DMSO, respectively, which could serve as host chiral matrices for fabricating functional soft materials. Achiral, π‐conjugated donor and acceptor guests were doped into the gel, and solvent‐regulated self‐assembly was observed. Although both the DMSO and toluene gels containing three components look similar as transparent gels, it was clarified microscopically that, whereas achiral dopants self‐assemble in the confined nanotubes in the DMSO gel, they only dissolve in the liquid phase in the toluene gel. The existence of the achiral donor and acceptor in different phases made their properties completely different. Chirality transfer occurred from the host chiral gel matrixes to guest achiral porphyrin in DMSO. Remarkably, the addition of C60 to the porphyrin/gelator gel could invert and further amplify the induced chirality of the porphyrin due to the formation of donor–acceptor pairs. On the other hand, no chirality transfer was observed in the toluene gel. These observations clearly unveiled the selective self‐assembly of different components in distinct gel phases, which could provide new insight into the design of chiroptical soft materials.
Molecular Chemistry and Engineering of Boron‐Modified Polyorganosilazanes as New Processable and Functional SiBCN Precursors
Authors: Viard Antoine , Fonblanc Diane , Schmidt Marion , Lale Abhijeet , Salameh Chrystelle , Soleilhavoup Anne , Wynn Mélanie , Champagne Philippe , Cerneaux Sophie , Babonneau Florence , Chollon Georges , Rossignol Fabrice , Gervais Christel , Bernard Samuel
Published: March 2017

A series of boron‐modified polyorganosilazanes was synthesized from a poly(vinylmethyl‐co‐methyl)silazane and controlled amounts of borane dimethyl sulfide. The role of the chemistry behind their synthesis has been studied in detail by using solid‐state NMR spectroscopy, FTIR spectroscopy, and elemental analysis. The intimate relationship between the chemistry and the processability of these polymers is discussed. Polymers with low boron contents displayed appropriate requirements for facile processing in solution, such as impregnation of host carbon materials, which resulted in the design of mesoporous monoliths with a high specific surface area after pyrolysis. Polymers with high boron content are more appropriate for solid‐state processing to design mechanically robust monolith‐type macroporous and dense structures after pyrolysis. Boron acts as a crosslinking element, which offers the possibility to extend the processability of polyorganosilazanes and suppress the distillation of oligomeric fragments in the low‐temperature region of their thermal decomposition (i.e., pyrolysis) at 1000 °C under nitrogen. Polymers with controlled and high ceramic yields were generated. We provide a comprehensive mechanistic study of the two‐step thermal decomposition based on a combination of thermogravimetric experiments coupled with elemental analysis, solid‐state NMR spectroscopy, and FTIR spectroscopy. Selected characterization tools allowed the investigation of specific properties of the monolith‐type SiBCN materials.
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

Bis(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

A 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

The 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.
High catalytic efficiency of Pd nanoparticles immobilized on TiO2 nanorods‐coated ceramic membranes
Authors: Zhang Shuai , Jiang Hong , Liu Yefei , Chen Rizhi
Published: March 2017

In this work, we designed and constructed an efficient and reusable membrane catalyst by loading palladium (Pd) nanoparticles on TiO2 nanorods (NRs)‐coated ceramic membrane. The morphology and structure analysis show that the TiO2 NRs with a width of 200 nm–1000 nm and a length of about 4000 nm can be successfully synthesized on the ceramic membrane by a two‐step hydrothermal method. The Pd nanoparticles with an average particle size of 4 nm can be uniformly distributed on the TiO2 NRs‐coated ceramic membrane. The catalytic performance evaluation highlights that higher catalytic activity and stability are observed for the Pd nanoparticles immobilized on the TiO2 NRs‐coated ceramic membrane compared to the ones loaded on the unmodified ceramic membrane in the liquid‐phase p‐nitrophenol hydrogenation. The TiO2 NRs can provide more areas for the deposition of Pd nanoparticles, and then more Pd nanoparticles with better dispersion can be loaded on the membrane, leading to superior catalytic activity. The interaction between Pd nanoparticles and TiO2 provides less leaching of Pd nanoparticles and higher catalytic stability.
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

MoS2‐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

BACKGROUND

Allogeneic 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.

METHODS

We 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.

RESULTS

The 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%).

CONCLUSION

Our 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

Sheet‐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

The 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

Recommendation 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

Extract 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

To 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

Novel 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

The 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

Previous 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

Prior 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

Objective

The 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.

Method

Data 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.

Results

Only 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.

Discussion

Adolescent 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

Will 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

Anticoagulant 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.
Metapopulation patterns of additive and nonadditive genetic variance in the sea bass (Dicentrarchus labrax)
Authors: Guinand Bruno , Vandeputte Marc , Dupont‐Nivet Mathilde , Vergnet Alain , Haffray Pierrick , Chavanne Hervé , Chatain Béatrice
Published: March 2017

Describing and explaining the geographic within‐species variation in phenotypes (“phenogeography”) in the sea over a species distribution range is central to our understanding of a variety of eco‐evolutionary topics. However, phenogeographic studies that have a large potential to investigate adaptive variation are overcome by phylogeographic studies, still mainly focusing on neutral markers. How genotypic and phenotypic data could covary over large geographic scales remains poorly understood in marine species. We crossed 75 noninbred sires (five origins) and 26 dams (two origins; each side of a hybrid zone) in a factorial diallel cross in order to investigate geographic variation for early survival and sex ratio in the metapopulation of the European sea bass (Dicentrarchus labrax), a highly prized marine fish species. Full‐sib families (N = 1,950) were produced and reared in a common environment. Parentage assignment of 7,200 individuals was performed with seven microsatellite markers. Generalized linear models showed significant additive effects for both traits and pleiotropy between traits. A significant nonadditive genetic effect was detected. Different expression of traits and distinct relative performances were found for reciprocal crosses involving populations located on each side of the main hybrid zone located at the Almeria‐Oran front, illustrating asymmetric reproductive isolation. The poor fitness performance observed for the Western Mediterranean population of sea bass is discussed as it represents the main source of seed hatchery production, but also because it potentially illustrates nonadaptive introgression and maladaptation.
Rapid maximum likelihood ancestral state reconstruction of continuous characters: A rerooting‐free algorithm
Authors: Goolsby Eric W.
Published: March 2017

Ancestral state reconstruction is a method used to study the evolutionary trajectories of quantitative characters on phylogenies. Although efficient methods for univariate ancestral state reconstruction under a Brownian motion model have been described for at least 25 years, to date no generalization has been described to allow more complex evolutionary models, such as multivariate trait evolution, non‐Brownian models, missing data, and within‐species variation. Furthermore, even for simple univariate Brownian motion models, most phylogenetic comparative R packages compute ancestral states via inefficient tree rerooting and full tree traversals at each tree node, making ancestral state reconstruction extremely time‐consuming for large phylogenies. Here, a computationally efficient method for fast maximum likelihood ancestral state reconstruction of continuous characters is described. The algorithm has linear complexity relative to the number of species and outperforms the fastest existing R implementations by several orders of magnitude. The described algorithm is capable of performing ancestral state reconstruction on a 1,000,000‐species phylogeny in fewer than 2 s using a standard laptop, whereas the next fastest R implementation would take several days to complete. The method is generalizable to more complex evolutionary models, such as phylogenetic regression, within‐species variation, non‐Brownian evolutionary models, and multivariate trait evolution. Because this method enables fast repeated computations on phylogenies of virtually any size, implementation of the described algorithm can drastically alleviate the computational burden of many otherwise prohibitively time‐consuming tasks requiring reconstruction of ancestral states, such as phylogenetic imputation of missing data, bootstrapping procedures, Expectation‐Maximization algorithms, and Bayesian estimation. The described ancestral state reconstruction algorithm is implemented in the Rphylopars functions anc.recon and phylopars.
Gene expression profiling during the embryo‐to‐larva transition in the giant red sea urchin Mesocentrotus franciscanus
Authors: Gaitán‐Espitia Juan Diego , Hofmann Gretchen E.
Published: March 2017

In echinoderms, major morphological transitions during early development are attributed to different genetic interactions and changes in global expression patterns that shape the regulatory program for the specification of embryonic territories. In order more thoroughly to understand these biological and molecular processes, we examined the transcriptome structure and expression profiles during the embryo‐to‐larva transition of a keystone species, the giant red sea urchin Mesocentrotus franciscanus. Using a de novo assembly approach, we obtained 176,885 transcripts from which 60,439 (34%) had significant alignments to known proteins. From these transcripts, ~80% were functionally annotated allowing the identification of ~2,600 functional, structural, and regulatory genes involved in developmental process. Analysis of expression profiles between gastrula and pluteus stages of M. franciscanus revealed 791 differentially expressed genes with 251 GO overrepresented terms. For gastrula, up‐regulated GO terms were mainly linked to cell differentiation and signal transduction involved in cell cycle checkpoints. In the pluteus stage, major GO terms were associated with phosphoprotein phosphatase activity, muscle contraction, and olfactory behavior, among others. Our evolutionary comparative analysis revealed that several of these genes and functional pathways are highly conserved among echinoids, holothuroids, and ophiuroids.
Are whooping cranes destined for extinction? Climate change imperils recruitment and population growth
Authors: Butler Matthew J. , Metzger Kristine L. , Harris Grant M.
Published: March 2017

Identifying climatic drivers of an animal population's vital rates and locating where they operate steers conservation efforts to optimize species recovery. The population growth of endangered whooping cranes (Grus americana) hinges on juvenile recruitment. Therefore, we identify climatic drivers (solar activity [sunspots] and weather) of whooping crane recruitment throughout the species’ life cycle (breeding, migration, wintering). Our method uses a repeated cross‐validated absolute shrinkage and selection operator approach to identify drivers of recruitment. We model effects of climate change on those drivers to predict whooping crane population growth given alternative scenarios of climate change and solar activity. Years with fewer sunspots indicated greater recruitment. Increased precipitation during autumn migration signified less recruitment. On the breeding grounds, fewer days below freezing during winter and more precipitation during breeding suggested less recruitment. We predicted whooping crane recruitment and population growth may fall below long‐term averages during all solar cycles when atmospheric CO2concentration increases, as expected, to 500 ppm by 2050. Species recovery during a typical solar cycle with 500 ppm may require eight times longer than conditions without climate change and the chance of population decline increases to 31%. Although this whooping crane population is growing and may appear secure, long‐term threats imposed by climate change and increased solar activity may jeopardize its persistence. Weather on the breeding grounds likely affects recruitment through hydrological processes and predation risk, whereas precipitation during autumn migration may influence juvenile mortality. Mitigating threats or abating climate change should occur within ≈30 years or this wild population of whooping cranes may begin declining.
Genetic relationships among Eriobotrya species revealed by genome‐wide RAD sequence data
Authors: Yang Xianghui , Najafabadi Samaneh Kazemiani , Shahid Muhammad Qasim , Zhang Zhike , Jing Yi , Wei Weiling , Wu Jingcheng , Gao Yongshun , Lin Shunquan
Published: March 2017

Restriction site‐associated DNA sequencing (RAD‐seq) was used to illuminate the genetic relationships among Eriobotrya species. The raw data were filtered, and 221 million clean reads were used for further analysis. A total of 1,983,332 SNPs were obtained from 23 Eriobotrya species and two relative genera. We obtained similar results by neighbor‐joining and maximum likelihood phylogenetic trees. All Eriobotrya plants grouped together into a big clade, and two out‐groups clustered together into a single or separate clade. Chinese and Vietnam accessions were distributed throughout the dendrogram. There was nonsignificant correlation between genotype and geographical distance. However, clustering results were correlated with leaf size to some extent. The Eriobotrya species could be divided into following three groups based on leaf size and phylogenetic analysis: group A and group B comprised of small leaves with <10 cm length except E. stipularis (16.76 cm), and group C can be further divided into two subgroups, which contained medium‐size leaves with a leaf length ranged from 10 to 20 cm and a leaf length bigger than 20 cm.
Experimental study of regeneration performance for CO2desorption from a hybrid solvent MEA‐methanol in a stripper column packed with three different packing: Sulzer BX500, mellapale Y500 and pall rings 16 × 16
Authors: Gao Jie , Yin Jun , Zhu Feifei , Chen Xin , Tong Ming , Kang Wanzhong , Zhou Yanbo , Lu Jun
Published: March 2017

The regeneration heat duty (Qreg, MJ/kg CO2) which consists of solvent heating energy (Qsh, MJ/kg CO2), solvent vaporization energy (Qvap, MJ/kg CO2), and desorption energy (Qdes, MJ/kg CO2), is a critical parameter in evaluating the performance of a solvent for postcombustion CO2capture. In this study,Qregof CO2desorption from rich monoethanolamine (MEA)‐methanol solvent was experimentally evaluated in a pilot‐plant stripper packed with Sulzer packing BX500, Mellapale packing Y500 and Pall rings 16 × 16. And a comparison ofQregbetween MEA‐methanol and aqueous MEA solvent was performed to evaluate the potential for MEA‐methanol's application in industrial CO2capture process. Also effects of several operating parameters of the stripper consists of rich CO2loading (0.25–0.52 mol/mol), rich solvent flow rate (21.2–51.4 L/h), rich solvent temperature (40–60°C) and regeneration temperature (68–74°C) on the regeneration performance of the stripper were studied. It was found thatQregof MEA‐methanol solvent was lower than aqueous MEA solvent (especiallyQdes) andQregwas sensitive to all the four parameters. Also the results obtained in this work showed that the stripper performance of Sulzer BX500 packing was better than Mellapale Y500 packing and Pall rings 16 × 16 packing was the worst. © 2017 American Institute of Chemical Engineers Environ Prog, 36: 838–844, 2017
Defeating epilepsy: A global public health commitment
Authors: Saxena Shekhar , Li Shichuo
Published: March 2017

This article points out that defeating epilepsy is a global public health commitment and a new challenge. This is because: epilepsy causes a heavy burden and very high treatment gap; in the field of life sciences and medicine, the 21st century would be the “Century of Brain Science”; a number of national brain research initiatives provide a great opportunity to reveal the secret of epilepsy; the Global Campaign against Epilepsy and the Mental Health Gap Action Programme made great contributions in the epilepsy control work worldwide; the historical WHA68.20 resolution gives great strength to promote defeating epilepsy.