bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, structure and properties of nitronyl nitroxide diradicals with fused‐thiophene couplers
Authors: Tretyakov Evgeny , Okada Keiji , Suzuki Shuichi , Baumgarten Martin , Romanenko Galina , Bogomyakov Artem , Ovcharenko Victor
Published: April 2016

Functionalized diradicals are widely used in chemistry, physics, biology and material sciences because of their inherently high reactivity and magnetic activity, but the synthesis of planar diradical molecules is still a challenge. This paper describes the effective synthesis and properties of diradicals in which nitronyl nitroxide fragments and a fused‐thiophene bridge are almost coplanar. The diradicals DR1, DR2, DR4 were prepared in high yield by palladium‐catalyzed cross‐coupling of the (nitronyl nitroxide‐2‐ide)(triphenylphosphin)gold complex with 2,5‐diiodothieno[2,3‐b]thiophene, 2,5‐diiodothieno[3,2‐b]thiophene or 2,6‐diiododithieno[3,2‐b:2′,3′‐d]thiophene correspondingly. The torsion angles between planes of the nitronyl nitroxide fragments and fused‐thiophene systems lie in the range 2.6–8.5°. The planarity of DR2 and DR4 makes the Kekulé‐type coupler units effective bridges to transmit magnetic interactions by a spin polarization mechanism. According to the magnetic susceptibility measurements, supported by density functional theory calculations, the singlet–triplet energy splitting (2 J/kB) is −130 K for DR2 and close to −80 K for DR4. The singlet diradicals DR2 and DR4 are stable and demonstrate two one‐electron reversible electrochemical oxidation peaks and two‐electron quasi‐reversible reduction peaks resulting in the formation of the corresponding bis(oxoammonium) dication or bis(aminooxidanide) dianion. Copyright © 2016 John Wiley & Sons, Ltd.
Crystal structure of the flagellar accessory protein FlaH of Methanocaldococcus jannaschii suggests a regulatory role in archaeal flagellum assembly
Authors: Meshcheryakov Vladimir A. , Wolf Matthias
Published: April 2016

Archaeal flagella are unique structures that share functional similarity with bacterial flagella, but are structurally related to bacterial type IV pili. The flagellar accessory protein FlaH is one of the conserved components of the archaeal motility system. However, its function is not clearly understood. Here, we present the 2.2 Å resolution crystal structure of FlaH from the hyperthermophilic archaeon, Methanocaldococcus jannaschii. The protein has a characteristic RecA‐like fold, which has been found previously both in archaea and bacteria. We show that FlaH binds to immobilized ATP—however, it lacks ATPase activity. Surface plasmon resonance analysis demonstrates that ATP affects the interaction between FlaH and the archaeal motor protein FlaI. In the presence of ATP, the FlaH‐FlaI interaction becomes significantly weaker. A database search revealed similarity between FlaH and several DNA‐binding proteins of the RecA superfamily. The closest structural homologs of FlaH are KaiC‐like proteins, which are archaeal homologs of the circadian clock protein KaiC from cyanobacteria. We propose that one of the functions of FlaH may be the regulation of archaeal motor complex assembly.
Soluble syndecan‐1 (SDC1) serum level as an independent pre‐operative predictor of cancer‐specific survival in prostate cancer
Authors: Szarvas Tibor , Reis Henning , vom Dorp Frank , Tschirdewahn Stephan , Niedworok Christian , Nyirady Peter , Schmid Kurt W. , Rübben Herbert , Kovalszky Ilona
Published: April 2016

BACKGROUND

PSA‐screening detects many cases of clinically non‐aggressive prostate cancer (PC) leading to significant overtreatment. Therefore, pre‐operatively available prognostic biomarkers are needed to help therapy decisions. Syndecan‐1 (SDC1) is a promising prognostic tissue marker in several cancers including PC but serum levels of shedded SDC1‐ectodomain (sSDC1) have not been assessed in PC.

METHODS

A total of 150 patients with PC were included in this study (n = 99 serum samples, n = 103 paraffin‐embedded samples (FFPE), n = 52 overlap). SDC1 protein expression and cellular localization was evaluated by immunohistochemistry (IHC), while sSDC1 serum concentrations were measured by ELISA. Serum sSDC1 levels were compared to those of MMP7, which is known to be a protease involved in SDC1 ectodomain‐shedding. Clinico‐pathological and follow‐up data were collected and correlated with SDC1 tissue and serum levels. Disease (PC)‐specific (DSS) and overall‐survival (OS) were primary endpoints.

RESULTS

Median follow‐up was 167 months in the serum‐ and 146 months in the FFPE‐group. SDC1‐reactivity was higher in non‐neoplastic prostate glands compared to PC. In addition, cytoplasmatic, but not membranous SDC1 expression was enhanced in PC patients with higher Gleason‐score >6 PC (P = 0.016). Soluble SDC1‐levels were higher in patients with Gleason‐score >6 (P = 0.043) and metastatic disease (P = 0.022) as well as in patients with progressed disease treated with palliative transurethral resection (P = 0.002). In addition, sSDC1 levels were associated with higher MMP7 serum concentration (P = 0.005). In univariable analyses, only sSDC1‐levels exhibited a trend to unfavorable DSS (P = 0.077). In a multivariable pre‐operative model, high pre‐operative sSDC1‐level (>123 ng/ml) proved to be an independent marker of adverse OS (P = 0.048) and DSS (P = 0.020).

CONCLUSIONS

The present study does not confirm the prognostic relevance of SDC1‐IHC. The significant higher sSDC1 serum levels in advanced cases of PC, suggest that SDC1 shedding might be involved in PC progression. Additionally, high sSDC1‐level proved to be an independent factor of adverse OS and DSS in a multivariable pre‐operative model, making evaluation of sSDC1‐levels a promising tool for pre‐operative risk‐stratification and/or therapy monitoring. Prostate 76:977–985, 2016. © 2016 Wiley Periodicals, Inc.
Electronic and dynamic DFT studies on the substituent effects of aminoalcohol stabilizers in sol–gel ZnO precursor
Authors: Gómez‐Núñez Alberto , Alonso‐Gil Santiago , López Concepción , Vilà Anna
Published: April 2016

Eight ethanolamine‐core‐like stabilizers of zinc acetate dihydrate (ZAD) are compared by means of density functional theory simulations (Gaussian optimizations and Car–Parrinello molecular dynamics). HOMO and LUMO are described and located, suggesting that photodegradation implies Zn reduction. Substituent effects on the thermal and optical degradation of the precursor formed by the aminoalcohols with ZAD are described. The Zn‐ligand systems are analyzed in detail, and molecular dynamics allows to establish the classification of the aminoalcohols according to the stability of the ZnN bond. Unless the amount of nitrogen is well controlled, nitrogen‐based additives should be avoided as ZAD stabilizers in the synthesis of pure ZnO.
Light management in planar silicon heterojunction solar cells via nanocrystalline silicon oxide films and nano‐imprint textures
Authors: Richter Alexei , Lentz Florian , Meier Matthias , Finger Friedhelm , Ding Kaining
Published: April 2016

In order to increase the efficiency of high performance silicon heterojunction solar cells even further, it is paramount to increase the photoelectric current by enhancing the amount of light being captured within the absorber. Therefore, to reduce the parasitic absorption in the other layers, optoelectronically favorable hydrogenated nanocrystalline silicon oxide films can substitute the commonly used hydrogenated amorphous silicon layers. In this work, we systematically investigate the combination of hydrogenated nanocrystalline silicon oxide and front side nano‐imprint textures as anti‐reflection layers in silicon heterojunction solar cells. Ultimately, we were able to tune the parasitic absorption via variation of the front surface field layer and enhance the short‐circuit current of the planar solar cells by about 2 mA cm−2 due to a random silicon pyramid textured imprint layer. A maximum active area efficiency of 20.4% was achieved with a short‐circuit current of 37.7 mA cm−2.
Humidity controlled crystallization of thin CH3NH3PbI3 films for high performance perovskite solar cell
Authors: Jeong Beomjin , Cho Suk Man , Cho Sung Hwan , Lee Ju Han , Hwang Ihn , Hwang Sun Kak , Cho Jinhan , Lee Tae‐Woo , Park Cheolmin
Published: April 2016

Control of crystallization of a solution‐processed perovskite layer is of prime importance for high performance solar cells. In spite of the negative effect of water on perovskite solar energy conversion in several previous works, we observed that humidity plays a critical role to develop a thin uniform, dense perovskite film with preferred crystals, in particular, in a device with architecture of ITO/PEDOT:PSS/CH3NH3PbI3/ PC71BM/LiF/Al fabricated by two‐step sequential spin‐coating process. Humidity controlled spin‐coating of CH3NH3I on the pre‐formed PbI2 layer was the most influential process and systematic structural investigation as a function of humidity revealed that grains of CH3NH3PbI3 perovskite crystals increase in size with their preferred orientation while film surface becomes roughened as the humidity increases. The performance of a device was closely related to the humidity dependent film morphology and in 40% relative humidity, the device exhibited the maximum power conversion efficiency of approximately 12% more than 10 times greater than that of a device fabricated at 20% humidity. The results suggest that our process with controlled humidity can be another efficient route for high performance and reliable perovskite solar cells. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
A case‐study of a monsoon low that formed over the sea and intensified over land as seen in ECMWF analyses
Authors: Kilroy Gerard , Smith Roger K. , Montgomery Michael T. , Lynch Billy , Earl‐Spurr Craig
Published: April 2016

A case‐study is presented of a tropical low that formed near Darwin, Australia, during the monsoon and subsequently intensified over land. The study is based on European Centre for Medium‐range Weather Forecast (ECMWF) analyses. Interpretations of the formation over the sea are given in terms of vorticity dynamics. The thermodynamic support for the intensification and maintenance of the low over land is investigated also. The analyses indicate that the intensification of the low depends on repeated bursts of deep convection occurring near the centre of the circulation that promote the further concentration of vorticity near the centre. This concentration of vorticity increases the local circulation about the centre, which amounts to increasing the local tangential wind speed and, through approximate gradient wind balance above the boundary layer, to a lowering of the central pressure. It is found that the horizontal transport of moisture into a mesoscale column centred on the low is approximately equal to the moisture lost by precipitation, so that total precipitable water levels are not rapidly depleted over land. While the contribution to the overall moisture budget by surface fluxes is comparatively small, these fluxes are necessary to maintain conditionally unstable conditions near the vortex centre so that deep convective bursts can continue to occur there, even when the system is located far inland.
A maximum entropy approach to the parametrization of subgrid processes in two‐dimensional flow
Authors: Verkley W. T. M. , Kalverla P. C. , Severijns C. A.
Published: April 2016

In numerical models of geophysical fluid systems, parametrization schemes are needed to account for the effect of unresolved processes on processes that are resolved explicitly. Usually, these parametrization schemes require tuning of their parameters to achieve optimal performance. We propose a new type of parametrization that requires no tuning, as it is based on an assumption that is not specific to any particular model. The assumption is that the unresolved processes can be represented by a probability density function that has maximum information entropy under the constraints of zero average time derivatives of key integral quantities of the unresolved processes. In the context of a model of a simple fluid dynamical system, it is shown that this approach leads to definite expressions for the mean effect of unresolved processes on processes that are resolved. The merits of the parametrization, regarding both short‐range forecasting and long‐term statistics, are demonstrated by numerical experiments in which a low‐resolution version of the model is used to simulate the results of a high‐resolution version of the model. For the fluid dynamical system that is studied, the proposed parametrization turns out to be related to the anticipated potential vorticity method with definite values of its parameters.
Theoretical investigation of the interactions between the π‐systems of molecular organic semiconductors and an analysis of the contributions of repulsion and electrostatics
Authors: Brückner Charlotte , Walter Christof , Engels Bernd
Published: April 2016

A concept for the interactions between π‐systems is necessary to understand a number of phenomena in modern material sciences such as supramolecular properties and self‐assembly. In the present article, we investigate the intermolecular interaction energies between organic semiconductors with extended π‐systems using SAPT (symmetry‐adapted perturbation theory), LMO‐EDA (localized molecular orbital energy decomposition analysis), DFT‐D (density functional theory including dispersion corrections), and force‐field approaches. Both apolar organic molecules such as acenes and highly polarized π‐systems of merocyanines and squaraines were used to probe the influence of electrostatics on the shape of the potential energy surfaces (PES) governing the geometric structures of aggregates. Our results reveal that the shapes of the PESs result from variations in the short‐range, highly specific repulsion forces even for highly polar molecules. Using distributed quadrupoles, we show that it is nevertheless possible to mimic the intermolecular potentials with electrostatics. This is also possible with van‐der‐Waals potentials and a simple overlap‐based force‐field ansatz based on the overlap between p‐orbitals. © 2016 Wiley Periodicals, Inc.
Central limit theorems for the radial spanning tree
Authors: Schulte Matthias , Thäle Christoph
Published: April 2016

Consider a homogeneous Poisson point process in a compact convex set in d‐dimensional Euclidean space which has interior points and contains the origin. The radial spanning tree is constructed by connecting each point of the Poisson point process with its nearest neighbour that is closer to the origin. For increasing intensity of the underlying Poisson point process the paper provides expectation and variance asymptotics as well as central limit theorems with rates of convergence for a class of edge functionals including the total edge length. © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 50, 262–286, 2017
Building a SEM Analytics Reporting Portfolio
Authors: Goff Jay W. , Williams Brian G. , Kilgore Wendy
Published: April 2016

Effective strategic enrollment management (SEM) efforts require vast amounts of internal and external data to ensure that meaningful reporting and analysis systems can assist managers in decision making. A wide range of information is integral for leading effective and efficient student recruitment and retention programs. This article is designed to help college and university enrollment professionals initiate a SEM analytics reporting portfolio that focuses on shifting the attention of reporting systems from transactional data gathering to shared performance understandings that can be leveraged throughout the enterprise on a timely basis. By employing a K–20 student pipeline planning approach, the authors discuss reporting fundamentals for enrollment management data analytics, the components of a comprehensive reporting portfolio, strategies for building SEM‐focused research organizations, and data interpretation methods.
Surface characterization of CuSn thin films deposited by RF co‐sputtering method
Authors: Kang Yujin , Park Juyun , Kang Yong‐Cheol
Published: April 2016

CuSn thin films were deposited by the radio‐frequency (RF) magnetron co‐sputtering method on Si(100) with Cu and Sn metal targets with various RF powers. The thickness of the films was fixed at 200 ± 10 nm. The synthesized CuSn thin films mainly consisted of Cu20Sn6 and Cu39Sn11 phases, which was revealed by an X‐ray diffraction (XRD) study. The high‐resolution Cu 2p XPS and Cu LMM Auger electron spectra indicate that metallic Cu oxidized to Cu+ and Cu2+ as the RF power on Cu target increased. The atomic ratios of Sn0 and Sn4+ decreased, while that of Sn2+ increased with increasing RF power on the Cu target. The polar surface free energy (SFE) component has a different tendency in comparison with the total SFE and the dispersive SFE component. The dispersive SFE component was the dominating contributing factor to the total SFE compared with the polar SFE. Copyright © 2016 John Wiley & Sons, Ltd.
Auger and X‐ray photoelectron spectroscopy on lithiated HOPG
Authors: Hoffmann M. , Oswald S. , Zier M. , Eckert J.
Published: April 2016

This work deals with the investigation of lithiated graphitic anodes by Auger electron spectroscopy (AES) using highly ordered pyrolytic graphite (HOPG) as a model system. We show that the detection of intercalated lithium is very sensitive to effects during the AES measurement that are related to electron beam damage, Ar sputtering effects and the influence of the ultra‐high vacuum conditions. An explanation of inconsistencies arising from different interpretations of the same system is given. We do so by comparing two different ways of surface preparation used to remove the solid electrolyte interphase on top of electrochemically charged HOPG, namely simple Ar+ sputtering, as it is commonly used in Auger depth profiles and in situ cleaving of the sample surface. A strong influence of the sputtering on the final result is evidenced by applying X‐ray photoelectron spectroscopy and AES on these surfaces. Furthermore, the presence of a metallic lithium peak in AES that depends on the AES measuring parameters, the surface preparation and measuring time is presented in order to help people to avoid misinterpretation of their results. Copyright © 2016 John Wiley & Sons, Ltd.
Simple generalized estimating equations (GEEs) and weighted generalized estimating equations (WGEEs) in longitudinal studies with dropouts: guidelines and implementation in R
Authors: Salazar Alejandro , Ojeda Begoña , Dueñas María , Fernández Fernando , Failde Inmaculada
Published: April 2016

Missing data are a common problem in clinical and epidemiological research, especially in longitudinal studies. Despite many methodological advances in recent decades, many papers on clinical trials and epidemiological studies do not report using principled statistical methods to accommodate missing data or use ineffective or inappropriate techniques. Two refined techniques are presented here: generalized estimating equations (GEEs) and weighted generalized estimating equations (WGEEs). These techniques are an extension of generalized linear models to longitudinal or clustered data, where observations are no longer independent. They can appropriately handle missing data when the missingness is completely at random (GEE and WGEE) or at random (WGEE) and do not require the outcome to be normally distributed. Our aim is to describe and illustrate with a real example, in a simple and accessible way to researchers, these techniques for handling missing data in the context of longitudinal studies subject to dropout and show how to implement them in R. We apply them to assess the evolution of health‐related quality of life in coronary patients in a data set subject to dropout. Copyright © 2016 John Wiley & Sons, Ltd.
Combining biomarkers linearly and nonlinearly for classification using the area under the ROC curve
Authors: Fong Youyi , Yin Shuxin , Huang Ying
Published: April 2016

In biomedical studies, it is often of interest to classify/predict a subject's disease status based on a variety of biomarker measurements. A commonly used classification criterion is based on area under the receiver operating characteristic curve (AUC). Many methods have been proposed to optimize approximated empirical AUC criteria, but there are two limitations to the existing methods. First, most methods are only designed to find the best linear combination of biomarkers, which may not perform well when there is strong nonlinearity in the data. Second, many existing linear combination methods use gradient‐based algorithms to find the best marker combination, which often result in suboptimal local solutions. In this paper, we address these two problems by proposing a new kernel‐based AUC optimization method called ramp AUC (RAUC). This method approximates the empirical AUC loss function with a ramp function and finds the best combination by a difference of convex functions algorithm. We show that as a linear combination method, RAUC leads to a consistent and asymptotically normal estimator of the linear marker combination when the data are generated from a semiparametric generalized linear model, just as the smoothed AUC method. Through simulation studies and real data examples, we demonstrate that RAUC outperforms smooth AUC in finding the best linear marker combinations, and can successfully capture nonlinear pattern in the data to achieve better classification performance. We illustrate our method with a dataset from a recent HIV vaccine trial. Copyright © 2016 John Wiley & Sons, Ltd.
Metal–Carbon Hybrid Electrocatalysts Derived from Ion‐Exchange Resin Containing Heavy Metals for Efficient Hydrogen Evolution Reaction
Authors: Zhou Yucheng , Zhou Weijia , Hou Dongman , Li Guoqiang , Wan Jinquan , Feng Chunhua , Tang Zhenghua , Chen Shaowei
Published: April 2016

Transition metal–carbon hybrids have been proposed as efficient electrocatalysts for hydrogen evolution reaction (HER) in acidic media. Herein, effective HER electrocatalysts based on metal–carbon composites are prepared by controlled pyrolysis of resin containing a variety of heavy metals. For the first time, Cr2O3 nanoparticles of 3–6 nm in diameter homogeneously dispersed in the resulting porous carbon framework (Cr–C hybrid) is synthesized as efficient HER electrocatalyst. Electrochemical measurements show that Cr–C hybrids display a high HER activity with an onset potential of −49 mV (vs reversible hydrogen electrode), a Tafel slope of 90 mV dec−1, a large catalytic current density of 10 mA cm−2 at −123 mV, and the prominent electrochemical durability. X‐ray photoelectron spectroscopic measurements confirm that electron transfer occurs from Cr2O3 into carbon, which is consistent with the reported metal@carbon systems. The obtained correlation between metals and HER activities may be exploited as a rational guideline in the design and engineering of HER electrocatalysts.
Transition‐Metal‐Ions‐Induced Coalescence: Stitching Au Nanoclusters into Tubular Au‐Based Nanocomposites
Authors: Zhou Yao , Zeng Hua Chun
Published: April 2016

Rod‐shaped assemblages of Au nanoclusters (AuNCs) can serve as self‐templating solid precursors to produce tubular Au‐based nanocomposites via the coalescence induced by transition metal ions. Specifically, when the AuNC assemblages react with transition metal ions with relatively high standard oxidation potentials such as Cu(II), Ag(I), Pd(II), and Au(III), a series of polycrystalline and ultrathin Au and AuxMy (where M = Cu, Ag, and Pd) alloy hollow nanorods (HNRs) can be obtained with further reduction; these metallic products are evaluated for electrooxidation of methanol. Alternatively, the above transition metal ions‐induced transformations can also be carried out after coating the AuNC assemblages with a layer of mesoporous SiO2 (mSiO2), giving rise to many mSiO2‐coated Au‐based HNRs. Onto the formed AuPd0.18 alloy HNRs, furthermore, a range of transition metal oxides such as TiO2, Co3O4, and Cu2O nanocrystals can be deposited easily to prepare metal oxide–AuPd0.18 HNRs nanocomposites, which can be used as photocatalysts. Compared with those conventional galvanic replacement reactions, the controlled coalescence of AuNCs induced by transition metal ions provides a novel and efficient chemical approach with improved element efficiency to tubular Au‐based nanocomposites.
Dynamic Positron Emission Tomography Imaging of Renal Clearable Gold Nanoparticles
Authors: Chen Feng , Goel Shreya , Hernandez Reinier , Graves Stephen A. , Shi Sixiang , Nickles Robert J. , Cai Weibo
Published: April 2016

Optical imaging has been the primary imaging modality for nearly all of the renal clearable nanoparticles since 2007. Due to the tissue depth penetration limitation, providing accurate organ kinetics non‐invasively has long been a huge challenge. Although a more quantitative imaging technique has been developed by labeling nanoparticles with single‐photon emission computed tomography (SPECT) isotopes, the low temporal resolution of SPECT still limits its potential for visualizing the rapid dynamic process of renal clearable nanoparticles in vivo. The dynamic positron emission tomography (PET) imaging of renal clearable gold (Au) nanoparticles by labeling them with copper‐64 (64Cu) to form 64Cu‐NOTA‐Au‐GSH is reported. Systematic nanoparticle synthesis and characterizations are performed to demonstrate the efficient renal clearance of as‐prepared nanoparticles. A rapid renal clearance of 64Cu‐NOTA‐Au‐GSH is observed (>75%ID at 24 h post‐injection) with its elimination half‐life calculated to be less than 6 min, over 130 times shorter than previously reported similar nanoparticles. Dynamic PET imaging not only addresses the current challenges in accurately and non‐invasively acquiring the organ kinetics, but also potentially provides a highly useful tool for studying renal clearance mechanism of other ultra‐small nanoparticles, as well as the diagnosis of kidney diseases in the near future.
Ultrastable Liquid–Liquid Interface as Viable Route for Controlled Deposition of Biodegradable Polymer Nanocapsules
Authors: Vecchione Raffaele , Iaccarino Giulia , Bianchini Paolo , Marotta Roberto , D'autilia Francesca , Quagliariello Vincenzo , Diaspro Alberto , Netti Paolo A.
Published: April 2016

Liquid–liquid interfaces are highly dynamic and characterized by an elevated interfacial tension as compared to solid–liquid interfaces. Therefore, they are gaining an increasing interest as viable templates for ordered assembly of molecules and nanoparticles. However, liquid–liquid interfaces are more difficult to handle compared to solid–liquid interfaces; their intrinsic instability may affect the assembly process, especially in the case of multiple deposition. Indeed, some attempts have been made in the deposition of polymer multilayers at liquid–liquid interfaces, but with limited control over size and stability. This study reports on the preparation of an ultrastable liquid–liquid interface based on an O/W secondary miniemulsion and its possible use as a template for the self‐assembly of polymeric multilayer nanocapsules. Such polymer nanocapsules are made of entirely biodegradable materials, with highly controlled size—well under 200 nm—and multi‐compartment and multifunctional features enriching their field of application in drug delivery, as well as in other bionanotechnology fields.
Physicochemical properties of native and phosphorylated pumpkin starch
Authors: Rożnowski Jacek , Przetaczek‐Rożnowska Izabela , Boba Daria
Published: April 2016

The aim of the study was to analyse the effect of the temperature and duration of modification on the physicochemical properties of phosphorylated pumpkin starch. Pumpkin starch is a potential source of starch without gluten and with a low level of radicals. Starch with optimal properties for food technology and food products can reduce the daily intake of additives with food products and reduce the costs of food production. The native and phosphorylated starches were characterized for their chemical compositions, water solubility index, water binding capacity, pasting properties, susceptibility to retrogradation and colour parameters. The results demonstrated that the conditions of the modification process influenced the physicochemical properties of phosphorylated starch. The phosphorylated starches contained 17.4–19.7% of amylose and 0.295–0.519% of phosphorus, but the lengthened time of modification at 145°C did not caused a higher phosphorus content. The solubility in water was from 8.81 to 43.17% and depended on the temperature and time of modification. The peak viscosity and final viscosity ranges were 288–586 and 274–817 mPa · s, respectively. The results demonstrated that increasing the temperature of esterification reduces the viscosity of the obtained samples and weakens the tendency to retrogradation. A significant linear correlation between the physicochemical properties and the parameters of the pasting characteristic was found.
Saikokaryukotsuboreito during pregnancy protects rat neonates from maternal cannibalism and death in a neurolathyrism experimental model
Authors: Kusama‐Eguchi Kuniko , Kawaguchi Kimino , Yakubo Syuji , Kitanaka Susumu , Matsuzaki Keiichi , Takamiya Tomoko , Fukuda Noboru , Masuko Takashi , Hirose Dai , Makino Mitsuko , Ueda Yukiko , Ikegami Fumio , Iijima Hiroshi
Published: April 2016

Aim

Stress during the perinatal period may result in failure to thrive in the newborn. A possible preventive effect of two kampo formulae, saikokaryukotsuboreito (SRB) and hachimijiogan (HJG) on the incidence of hind‐leg paraparesis and mortality in newborns, including that due to maternal cannibalism, were examined in neurotoxin‐treated rats.

Methods

Female Wistar/ST rats treated with SRB or HJG during pregnancy and the lactation period were separated from their pups for 6 h daily and then reunited. The pups were treated daily with a neurotoxin, l‐β‐
N
‐oxalyl‐α,β‐diaminopropionic acid (l‐β‐ODAP), to cause neurolathyrism‐like symptoms, a motor defect leading to hind‐leg paraparesis.

Results

Although SRB and HJG treatment in mother rats did not affect the incidence of motor defect (paraparesis) in the pups, pup mortality was greatly and significantly decreased during the treatment period in the SRB group but not in the HJG group.

Conclusion

SRB treatment in mother rats is effective in decreasing pup mortality mainly due to cannibalism, thus suggesting its potential for anxiety disorder during the perinatal period in humans.
Inhibition of NF‐κB and metastasis in irinotecan (CPT‐11)‐resistant LoVo colon cancer cells by thymoquinone via JNK and p38
Authors: Chen Ming‐Cheng , Lee Nien‐Hung , Hsu Hsi‐Hsien , Ho Tsung‐Jung , Tu Chuan‐Chou , Chen Ray‐Jade , Lin Yueh‐Min , Viswanadha Vijaya Padma , Kuo Wei‐Wen , Huang Chih‐Yang
Published: April 2016

Clinically used chemotherapeutics can effectively eliminate most tumor cells. However, they cause unwanted side effects and result in chemoresistance. To overcome such problems, phytochemicals are now used to treat cancers by means of targeted therapy. Thymoquinone (TQ) is used to treat different cancers (including colon cancer) and is an NF‐κB inhibitor. Irinotecan resistant (CPT‐11‐R) LoVo colon cancer cell line was previous constructed by step‐wise CPT‐11 challenges to un‐treated parental LoVo cells and expresses EGFR/IKKα/β/NF‐κB pathway. TQ resulted in reduced total and phosphorylation of IKKα/β and NF‐κB and decreased metastasis in CPT‐11‐R cells. TQ not only reduced activity of ERK1/2 and PI3K but also activated JNK and p38. Furthermore, TQ was also found to suppress metastasis through activation of JNK and p38. Therefore, TQ suppressed metastasis through NF‐κB inhibition and activation of JNK and p38 in CPT‐11‐R LoVo colon cancer cells. © 2016 Wiley Periodicals, Inc. Environ Toxicol 32: 669–678, 2017.
Re: Maternal obesity affects fetal myocardial function as early as in the first trimester. C. B. Ingul, L. Lorås, E. Tegnander, S. H. Eik‐Nes and A. Brantberg. Ultrasound Obstet Gynecol 2016; 47: 433–442.
Authors: Patey O.
Published: April 2016

Linked Comment: Ultrasound Obstet Gynecol 2016; 47: 433–442
Conflict and cooperation in the water‐security nexus: a global comparative analysis of river basins under climate change
Authors: Link P. Michael , Scheffran Jürgen , Ide Tobias
Published: April 2016

Adequate fresh water availability is an important factor for human security in many parts of the world. In transboundary river basins, decreased water supply due to local environmental change and global climate change and increased water demand due to growing populations and continued economic development can aggravate water scarcity. Contrary to the claim that water scarcity may result in an increased risk of armed conflict, there is no simple relationship between freshwater availability and violent conflict. Other crucial factors need to be taken into consideration that also directly influence resource availability and personal human well‐being. In this review, we assess the scientific literature on conflict and cooperation in transboundary river systems. Most international river basins are already jointly managed by the riparians, but successful management in times of climate change necessitates the inclusion of more factors besides mere allocation schemes. On the basis of a substantial body of literature on the management of transboundary watersheds, an analytical framework of the water‐security nexus is developed that integrates the physical and socioeconomic pathways connecting water availability with conflict or cooperation. This framework is subsequently applied to two transboundary river basins—the Nile River and the Syr Darya/Amu Darya—as they represent two world regions that could become future water hot spots. An improved understanding of the developments leading to water conflicts and their interaction can help to successfully reduce the risk of water conflicts in these regions and to move toward increased cooperation among the riparians of transboundary river systems. WIREs Water 2016, 3:495–515. doi: 10.1002/wat2.1151

This article is categorized under:

Engineering Water > Planning Water

Science of Water > Water and Environmental Change

Human Water > Water Governance
Seasonal movements of greater sage‐grouse populations in Utah: Implications for species conservation
Authors: Dahlgren David K. , Messmer Terry A. , Crabb Benjamin A. , Larsen Randy T. , Black Todd A. , Frey S. Nicole , Thacker Eric T. , Baxter Rick J. , Robinson Jason D.
Published: April 2016

Greater sage‐grouse (Centrocercus urophasianus; sage‐grouse) is considered an umbrella species for sagebrush (Artemisia spp.) landscapes in western North America. In 2015, the U.S. Fish and Wildlife Service determined sage‐grouse unwarranted for protection under the Endangered Species Act (1973) because of conservation actions in priority areas. Understanding seasonal movements is key to delineation and assessment of priority conservation areas. We monitored radiomarked sage‐grouse from 1998 to 2013 throughout Utah, USA, to determine seasonal movements. Maximum distances from nearest lek to nesting, summer, and winter locations across all radiomarked grouse averaged 2.20 km (90th percentile = 5.06 km), 3.93 km (90th percentile = 8.45 km), and 3.76 km (90th percentile = 7.15 km), respectively. Maximum movements from nest to summer, nest to winter, and between summer and winter locations across all radiomarked grouse averaged 5.77 km (90th percentile = 13.60 km), 11.77 km (90th percentile = 26.36 km), and 14.75 km (90th percentile = 30.77 km), respectively. Maximum distance from lek of capture to summer locations was greater for males than females, whereas females moved farther than males from lek to winter and summer to winter locations. Adult females moved farther than yearlings from lek to nest and summer to winter areas. The state of Utah's Sage‐Grouse Management Areas included approximately 85% of the radiotelemetry seasonal locations and >95% when weighted by lek counts. Our results suggest that seasonal movements could be facilitated by increasing usable habitat space through management actions, as emphasized in Utah's sage‐grouse plan. © 2016 The Wildlife Society.
Syntheses, Crystal Structures, and Magnetic Properties of Two Mononuclear Nickel‐Nitronyl Nitroxide Radical Compounds
Authors: Zhai Bin , Li Zhong‐Yi , Zhang Fu‐Qiang , Li Su‐Zhi , Zhang Fu‐Li , Zhang Chi , Zhang Xiang‐Fei , Cao Guang‐Xiu , Ma Yue
Published: April 2016

Two nickel(II) complexes were synthesized and structurally as well as magnetically characterized by using two positional isomeric nitronyl nitroxide radical ligands and H3cda as co‐ligand: [Ni(NIToPy)(cda)]H2O·CH3OH (1) and [Ni(IM4Py)2(cda)H2O] (2) [NIToPy = 2‐(3′‐pyridinyl)‐4,4,5,5‐tetramethyl‐4,5‐dihydro‐1H‐imidazolyl‐1‐oxyl‐3‐oxide; IM4Py = 2‐(4′‐pyridinyl)‐4,4,5,5‐tetramethylimidazoline‐l‐oxyl; H3cda = 4‐hydroxypyridine‐2,6‐dicarboxylic acid]. Single‐crystal structures analyses show that both complexes have similar mononuclear structures, in which the central NiII ions are hexacoordinated with a distorted octahedral arrangement. The magnetic properties of 1 and 2 were studied, and antiferromagnetic interactions between NiII ion and radicals are observed.
The exon junction complex in neural development and neurodevelopmental disease
Authors: McMahon J.J. , Miller E.E. , Silver D.L.
Published: April 2016

Post‐transcriptional mRNA metabolism has emerged as a critical regulatory nexus in proper development and function of the nervous system. In particular, recent studies highlight roles for the exon junction complex (EJC) in neurodevelopment. The EJC is an RNA binding complex composed of 3 core proteins, EIF4A3 (DDX48), RBM8A (Y14), and MAGOH, and is a major hub of post‐transcriptional regulation. Following deposition onto mRNA, the EJC serves as a platform for the binding of peripheral factors which together regulate splicing, nonsense mediated decay, translation, and RNA localization. While fundamental molecular roles of the EJC have been well established, the in vivo relevance in mammals has only recently been examined. New genetic models and cellular assays have revealed core and peripheral EJC components play critical roles in brain development, stem cell function, neuronal outgrowth, and neuronal activity. Moreover, human genetics studies increasingly implicate EJC components in the etiology of neurodevelopmental disorders. Collectively, these findings indicate that proper dosage of EJC components is necessary for diverse aspects of neuronal development and function. Going forward, genetic models of EJC components will provide valuable tools for further elucidating functions in the nervous system relevant for neurodevelopmental disease.
How various drugs affect anxiety‐related behavior in male and female rats prenatally exposed to methamphetamine
Authors: Macúchová E. , Ševčíková M. , Hrebíčková I. , Nohejlová K. , Šlamberová R.
Published: April 2016

Different forms of anxiety‐related behavior have been reported after a single drug use of many abused substances, however, less is known about how males and females are affected differently from exposure to various drugs. Furthermore, chronic prenatal methamphetamine (MA) exposure was shown to predispose the animal to an increased sensitivity to drugs administrated in adulthood. Using the Elevated plus‐maze test (EPM), the first aim of the present study was to examine how male and female rats are affected by acute drug treatment with subcutaneously (s.c.) administrated (a) MA (1 mg/kg); (b) drugs with a similar mechanism of action to MA: amphetamine (AMP, 1 mg/kg), cocaine (COC, 5 mg/kg), 3,4‐methylenedioxymethamphetamine (MDMA, 5 mg/kg); and (c) drugs with different mechanisms of action: morphine (MOR, 5 mg/kg), and Δ 9‐tetrahydrocannabinol (THC, 2 mg/kg). The second aim was to determine if prenatally MA‐exposed (5 mg/kg) animals show an increased sensitivity to adult drug treatment. The parameters analyzed were divided into two categories: anxiety‐related behavior and anxiety‐unrelated/exploratory behavior. Our results showed in female rats a decreased percentage of the time spent in the closed arms (CA) after MA, and an increased percentage of the time spent in the open arms (OA) after MA, AMP, and COC treatment, indicating an anxiolytic‐like effect. In females, MDMA and THC treatment increased the percentage of the time spent in the CA. An increased percentage of the time spent in the CA was also seen after MOR treatment in females as well as in males, indicating an anxiogenic‐like effect. As far as the interaction between prenatal MA exposure and adult drug treatment is concerned, there was no effect found. In conclusion, it seems that: (a) in some cases female rats are more vulnerable to acute drug treatment, in terms of either anxiogenic‐ or anxiolytic‐like effects; (b) prenatal MA exposure does not sensitize animals to the anxiety‐related effects of any of the drugs.
Incorporating uterine artery embolization in the treatment of cesarean scar pregnancy following diagnostic ultrasonography
Authors: Li Yang , Wang Weiwen , Yang Ting , Wei Xing , Yang Xiaofeng
Published: April 2016

Objective

To evaluate combining uterine artery embolization (UAE) with other treatments for cesarean scar pregnancy (CSP).

Methods

A retrospective study included patients attending the First affiliated Hospital of Xi'an Jiaotong University, China, between March 1, 2009 and March 31, 2014, who were diagnosed with CSP. Patients were classified by ultrasonography as having endogenous CSP (CSP type I [CSP‐I]) or exogenous CSP (CSP type II [CSP‐II]). Patient outcomes were compared between patients who underwent treatment that included or excluded UAE. Patient records were reviewed and patients were interviewed by telephone to report on recovery following treatment.

Results

In total, 52 patients met the inclusion criteria. In patients with CSP‐I, the blood loss, length of hospital stay, and time before restoration of normal β human chorionic gonadotropin levels were significantly higher in patients who were treated with methotrexate combined with dilatation and curettage compared with those treated with UAE combined with dilatation and curettage (P < 0.05). In patients with CSP‐II, blood loss was lower in patients treated with UAE combined with excision compared with excision alone (P < 0.001).

Conclusion

Incorporating UAE in the treatment of CSP‐I and CSP‐II was safe; CSP should be properly classified to select the appropriate treatment.
Thrombophilia prevalence among women with placenta‐mediated pregnancy complications
Authors: Gils Charlotte , Nybo Mads
Published: April 2016

Objective

To evaluate the prevalence of thrombophilia in patients with placenta‐mediated pregnancy complications (PMPC).

Methods

Patients referred for thrombophilia testing at Odense University Hospital, Denmark, owing to PMPC between January 1, 2010 and December 31, 2014, were included in the present retrospective study. Data collected from patient medical records included the type of PMPC, history of previous thrombosis, and arterial thrombosis risk factors.

Results

A total of 103 patients were included in the study; 25 (24.3%) were diagnosed with thrombophilia. Among the study population, factor V Leiden was the most dominant thrombophilia and was diagnosed in 11 (10.7%) patients (compared with 7% prevalence in the general population). The prevalence of all thrombophilias (except prothrombin mutation) was significantly higher in patients with PMPC in comparison with the reported prevalence in the general population.

Conclusion

The incidence of thrombophilia was higher in patients with PMPC than in the general population. A positive thrombophilia diagnosis in a patient with PMPC can have significant clinical consequences for future pregnancies. It can also instigate thrombophilia testing among a patient's family members if necessary. Owing to these advantages, continued thrombophilia testing in these patients seems appropriate.
Luminescence ages for three ‘Middle Palaeolithic’ sites in the Nihewan Basin, northern China, and their archaeological and palaeoenvironmental implications
Authors: Guo Yu-Jie , Li Bo , Zhang Jia-Fu , Yuan Bao-Yin , Xie Fei , Roberts Richard Graham
Published: April 2016

The Nihewan Basin is a key region for studying the Palaeolithic archaeology of East Asia. However, because of the lack of suitable dating methods and representative lithic technologies in this region, the ‘Middle Palaeolithic’ sites in this basin have been designated based mainly on stratigraphic correlation, which may be unreliable. In this study, three Palaeolithic sites, Motianling, Queergou and Banjingzi, which have been assigned previously to the ‘Middle Palaeolithic’, are dated based on luminescence dating of K-feldspar grains. Our results show that the cultural layers at Motianling, Queergou and Banjingzi have ages of 315 ± 13, 268 ± 13 and 86 ± 4 ka (corresponding to Marine Isotope Stages 9, 8 and 5), respectively, suggesting that Motianling and Queergou should be assigned to the Lower Palaeolithic, while the age of Banjingzi is consistent with a Middle Palaeolithic attribution. Our results suggest that reassessing the age of ‘Middle Palaeolithic’ sites in the Nihewan Basin, and elsewhere in North China, is crucial for understanding the presence or absence of the Middle Palaeolithic phase in China. Our dating results also indicate that the Sanggan River developed sometime between about 270 and 86 ka ago.
SBtab: a flexible table format for data exchange in systems biology
Authors: Lubitz Timo , Hahn Jens , Bergmann Frank T. , Noor Elad , Klipp Edda , Liebermeister Wolfram
Published: April 2016

Summary: SBtab is a table-based data format for Systems Biology, designed to support automated data integration and model building. It uses the structure of spreadsheets and defines conventions for table structure, controlled vocabularies and semantic annotations. The format comes with predefined table types for experimental data and SBML-compliant model structures and can easily be customized to cover new types of data.

Availability and Implementation: SBtab documents can be created and edited with any text editor or spreadsheet tool. The website www.sbtab.net provides online tools for syntax validation and conversion to SBML and HTML, as well as software for using SBtab in MS Excel, MATLAB and R. The stand-alone Python code contains functions for file parsing, validation, conversion to SBML and HTML and an interface to SQLite databases, to be integrated into Systems Biology workflows. A detailed specification of SBtab, including examples and descriptions of table types and available tools, can be found at www.sbtab.net.

Contact: wolfram.liebermeister@gmail.com
MOCAT2: a metagenomic assembly, annotation and profiling framework
Authors: Kultima Jens Roat , Coelho Luis Pedro , Forslund Kristoffer , Huerta-Cepas Jaime , Li Simone S. , Driessen Marja , Voigt Anita Yvonne , Zeller Georg , Sunagawa Shinichi , Bork Peer
Published: April 2016

Summary: MOCAT2 is a software pipeline for metagenomic sequence assembly and gene prediction with novel features for taxonomic and functional abundance profiling. The automated generation and efficient annotation of non-redundant reference catalogs by propagating pre-computed assignments from 18 databases covering various functional categories allows for fast and comprehensive functional characterization of metagenomes.

Availability and Implementation: MOCAT2 is implemented in Perl 5 and Python 2.7, designed for 64-bit UNIX systems and offers support for high-performance computer usage via LSF, PBS or SGE queuing systems; source code is freely available under the GPL3 license at http://mocat.embl.de.

Contact: bork@embl.de

Supplementary information:  Supplementary data are available at Bioinformatics online.