bluuebunny/crossref_metadata_2025 huggingface dataset:
Environmental vs hedonic quality: which policy can help in lowering pollution emissions?
Authors: Mantovani Andrea , Vergari Cecilia
Published: February 2017

In this paper we compare two policy instruments that can be adopted to curb carbon emissions. The first is a conventional pollution tax, the second is an environmental campaign raising consumers’ awareness about the relative impact of their consumption choices. The comparison is carried out in two different scenarios, depending on whether consumers’ aprioristic preferences are such that they value the environmental attribute of a product (environmental quality) or its pure performance (hedonic quality) . In the case of environmental quality, the campaign is preferred under some specific conditions based on consumer heterogeneity, cost-effective analysis, and pollution level. On the contrary, the pollution tax is always preferred in the case of hedonic quality. Therefore, we show that the relative efficiency of the two policy instruments crucially depends on consumers’ initial concern for the environment, which may vary across countries due to socio-economic conditions.
Das dehydrierte Kind
Authors: Beglinger Svetlana
Published: February 2017

Zusammenfassung. Die häufigsten Gründe, weshalb ein Kind in der Praxis oder im Spital vorgestellt wird, sind Dehydratation und Trink-/Essensverweigerung aufgrund einer akuten Gastroenteritis (AGE). Die häufigste Ursache einer AGE ist das Rotavirus, gefolgt von Norovirus und seltenen bakteriellen Erkrankungen. Eine Erregerdiagnostik ist dabei nur selten nötig. Der Dehydratationsgrad wird vornehmlich klinisch anhand eines Dehydratations-Scores gestellt. Ziel der Dehydratationstherapie sind die rasche Rehydrierung und Wiederaufnahme von Flüssigkeit und Nahrung durch das Kind. Eine Rehydratationstherapie (RT) sollte wenn immer möglich per os oder per Magensonde stattfinden und nur in schweren Fällen intravenös. Bei einem prolongierten Verlauf sind weitere Abklärungen beim gastroenterologischen Spezialisten empfehlenswert.
CME
Authors: Zander Silvan , D’cunja Jaya , Valli Piero V.
Published: February 2017

Zusammenfassung. Das Vorliegen eines Zenker-Divertikels ist eine seltene Ursache für Schluckstörungen mit potenziell lebensbedrohlichen Komplikationen. Die endoskopische bzw. chirurgische Sanierung erzielen hohe Raten kompletter Remission. Aus verschiedenen Therapieansätzen werden heute primär minimal-invasive Therapieverfahren favorisiert.
The Effect of Partly Missing Covariates on Statistical Power in	Randomized Controlled Trials With Discrete-Time Survival	Endpoints
Authors: Jolani Shahab , Safarkhani Maryam
Published: February 2017

Abstract. In randomized controlled trials (RCTs), a common strategy to increase power to detect a treatment effect is adjustment for baseline covariates. However, adjustment with partly missing covariates, where complete cases are only used, is inefficient. We consider different alternatives in trials with discrete-time survival data, where subjects are measured in discrete-time intervals while they may experience an event at any point in time. The results of a Monte Carlo simulation study, as well as a case study of randomized trials in smokers with attention deficit hyperactivity disorder (ADHD), indicated that single and multiple imputation methods outperform the other methods and increase precision in estimating the treatment effect. Missing indicator method, which uses a dummy variable in the statistical model to indicate whether the value for that variable is missing and sets the same value to all missing values, is comparable to imputation methods. Nevertheless, the power level to detect the treatment effect based on missing indicator method is marginally lower than the imputation methods, particularly when the missingness depends on the outcome. In conclusion, it appears that imputation of partly missing (baseline) covariates should be preferred in the analysis of discrete-time survival data.
Mounting Litter Spotted on Arctic Seafloor
Authors: Kornei Katherine
Published: February 2017

At one location near Greenland, the density of undersea trash leaped by a factor of 23 in a decade.
Germline mutations predisposing to diffuse large B-cell lymphoma
Authors: Leeksma O C , de Miranda N F , Veelken H
Published: February 2017

Genetic studies of diffuse large B-cell lymphomas (DLBCLs) in humans have revealed numerous targets of somatic mutations and an increasing number of potentially relevant germline alterations. The latter often affect genes involved in DNA repair and/or immune function. In general, defects in these genes also predispose to other conditions. Knowledge of these mutations can lead to disease-preventing measures in the patient and relatives thereof. Conceivably, these germline mutations will be taken into account in future therapy of the lymphoma. In other hematological malignancies, mutations originally found as somatic aberrations have also been shown to confer predisposition to these diseases, when occurring in the germline. Further interrogations of the genome in DLBCL patients are therefore expected to reveal additional hereditary predisposition genes. Our review shows that germline mutations have already been described in over one-third of the genes that are somatically mutated in DLBCL. Whether such germline mutations predispose carriers to DLBCL is an open question. Symptoms of the inherited syndromes associated with these genes range from anatomical malformations to intellectual disability, immunodeficiencies and malignancies other than DLBCL. Inherited or de novo alterations in protein-coding and non-coding genes are envisioned to underlie this lymphoma.
The novel BMI-1 inhibitor PTC596 downregulates MCL-1 and induces p53-independent mitochondrial apoptosis in acute myeloid leukemia progenitor cells
Authors: Nishida Y , Maeda A , Kim M J , Cao L , Kubota Y , Ishizawa J , AlRawi A , Kato Y , Iwama A , Fujisawa M , Matsue K , Weetall M , Dumble M , Andreeff M , Davis T W , Branstrom A , Kimura S , Kojima K
Published: February 2017

Disease recurrence is the major problem in the treatment of acute myeloid leukemia (AML). Relapse is driven by leukemia stem cells, a chemoresistant subpopulation capable of re-establishing disease. Patients with p53 mutant AML are at an extremely high risk of relapse. B-cell-specific Moloney murine leukemia virus integration site 1 (BMI-1) is required for the self-renewal and maintenance of AML stem cells. Here we studied the effects of a novel small molecule inhibitor of BMI-1, PTC596, in AML cells. Treatment with PTC596 reduced MCL-1 expression and triggered several molecular events consistent with induction of mitochondrial apoptosis: loss of mitochondrial membrane potential, BAX conformational change, caspase-3 cleavage and phosphatidylserine externalization. PTC596 induced apoptosis in a p53-independent manner. PTC596 induced apoptosis along with the reduction of MCL-1 and phosphorylated AKT in patient-derived CD34+CD38low/− stem/progenitor cells. Mouse xenograft models demonstrated in vivo anti-leukemia activity of PTC596, which inhibited leukemia cell growth in vivo while sparing normal hematopoietic cells. Our results indicate that PTC596 deserves further evaluation in clinical trials for refractory or relapsed AML patients, especially for those with unfavorable complex karyotype or therapy-related AML that are frequently associated with p53 mutations.
Gravitational body forces focus North American intraplate earthquakes
Authors: Levandowski Will , Zellman Mark , Briggs Rich
Published: February 2017

Earthquakes far from tectonic plate boundaries generally exploit ancient faults, but not all intraplate faults are equally active. The North American Great Plains exemplify such intraplate earthquake localization, with both natural and induced seismicity generally clustered in discrete zones. Here we use seismic velocity, gravity and topography to generate a 3D lithospheric density model of the region; subsequent finite-element modelling shows that seismicity focuses in regions of high-gravity-derived deviatoric stress. Furthermore, predicted principal stress directions generally align with those observed independently in earthquake moment tensors and borehole breakouts. Body forces therefore appear to control the state of stress and thus the location and style of intraplate earthquakes in the central United States with no influence from mantle convection or crustal weakness necessary. These results show that mapping where gravitational body forces encourage seismicity is crucial to understanding and appraising intraplate seismic hazard.
Mechanism of partial agonism in AMPA-type glutamate receptors
Authors: Salazar Hector , Eibl Clarissa , Chebli Miriam , Plested Andrew
Published: February 2017

Neurotransmitters trigger synaptic currents by activating ligand-gated ion channel receptors. Whereas most neurotransmitters are efficacious agonists, molecules that activate receptors more weakly—partial agonists—also exist. Whether these partial agonists have weak activity because they stabilize less active forms, sustain active states for a lesser fraction of the time or both, remains an open question. Here we describe the crystal structure of an α-amino-3-hydroxy-5-methyl-4-isoxazolepropionate receptor (AMPAR) ligand binding domain (LBD) tetramer in complex with the partial agonist 5-fluorowillardiine (FW). We validate this structure, and others of different geometry, using engineered intersubunit bridges. We establish an inverse relation between the efficacy of an agonist and its promiscuity to drive the LBD layer into different conformations. These results suggest that partial agonists of the AMPAR are weak activators of the receptor because they stabilize multiple non-conducting conformations, indicating that agonism is a function of both the space and time domains.
Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors
Authors: Kasahara Y. , Takeuchi Y. , Zadik R. H. , Takabayashi Y. , Colman R. H. , McDonald R. D. , Rosseinsky M. J. , Prassides K. , Iwasa Y.
Published: February 2017

Controlled access to the border of the Mott insulating state by variation of control parameters offers exotic electronic states such as anomalous and possibly high-transition-temperature (Tc) superconductivity. The alkali-doped fullerides show a transition from a Mott insulator to a superconductor for the first time in three-dimensional materials, but the impact of dimensionality and electron correlation on superconducting properties has remained unclear. Here we show that, near the Mott insulating phase, the upper critical field Hc2 of the fulleride superconductors reaches values as high as ∼90 T—the highest among cubic crystals. This is accompanied by a crossover from weak- to strong-coupling superconductivity and appears upon entering the metallic state with the dynamical Jahn–Teller effect as the Mott transition is approached. These results suggest that the cooperative interplay between molecular electronic structure and strong electron correlations plays a key role in realizing robust superconductivity with high-Tc and high-Hc2.
Arylmethylamino steroids as antiparasitic agents
Authors: Krieg Reimar , Jortzik Esther , Goetz Alice-Anne , Blandin Stéphanie , Wittlin Sergio , Elhabiri Mourad , Rahbari Mahsa , Nuryyeva Selbi , Voigt Kerstin , Dahse Hans-Martin , Brakhage Axel , Beckmann Svenja , Quack Thomas , Grevelding Christoph G. , Pinkerton Anthony B. , Schönecker Bruno , Burrows Jeremy , Davioud-Charvet Elisabeth , Rahlfs Stefan , Becker Katja
Published: February 2017

In search of antiparasitic agents, we here identify arylmethylamino steroids as potent compounds and characterize more than 60 derivatives. The lead compound 1o is fast acting and highly active against intraerythrocytic stages of chloroquine-sensitive and resistant Plasmodium falciparum parasites (IC50 1–5 nM) as well as against gametocytes. In P. berghei-infected mice, oral administration of 1o drastically reduces parasitaemia and cures the animals. Furthermore, 1o efficiently blocks parasite transmission from mice to mosquitoes. The steroid compounds show low cytotoxicity in mammalian cells and do not induce acute toxicity symptoms in mice. Moreover, 1o has a remarkable activity against the blood-feeding trematode parasite Schistosoma mansoni. The steroid and the hydroxyarylmethylamino moieties are essential for antimalarial activity supporting a chelate-based quinone methide mechanism involving metal or haem bioactivation. This study identifies chemical scaffolds that are rapidly internalized into blood-feeding parasites.
Correction: Corrigendum: Photo Initiated Chemical Vapour Deposition To Increase Polymer Hydrophobicity
Authors: Bérard Ariane , Patience Gregory S. , Chouinard Gérald , Tavares Jason R.
Published: February 2017

Scientific Reports 6: Article number: 31574; published online: 17 August 2016; updated: 17 February 2017 This Article contains an error in the Methods section. “Two 30 W UVC lamps (253.7 nm, irradiance of 5.5 × 10–4 μ W cm−2, at 4.5 cm) illuminated the surface of the polymer samples”. should read: “Two 30 W UVC lamps (253.
Wide-band/angle Blazed Surfaces using Multiple Coupled Blazing Resonances
Authors: Memarian Mohammad , Li Xiaoqiang , Morimoto Yasuo , Itoh Tatsuo
Published: February 2017

Blazed gratings can reflect an oblique incident wave back in the path of incidence, unlike mirrors and metal plates that only reflect specular waves. Perfect blazing (and zero specular scattering) is a type of Wood’s anomaly that has been observed when a resonance condition occurs in the unit-cell of the blazed grating. Such elusive anomalies have been studied thus far as individual perfect blazing points. In this work, we present reflective blazed surfaces that, by design, have multiple coupled blazing resonances per cell. This enables an unprecedented way of tailoring the blazing operation, for widening and/or controlling of blazing bandwidth and incident angle range of operation. The surface can thus achieve blazing at multiple wavelengths, each corresponding to different incident wavenumbers. The multiple blazing resonances are combined similar to the case of coupled resonator filters, forming a blazing passband between the incident wave and the first grating order. Blazed gratings with single and multi-pole blazing passbands are fabricated and measured showing increase in the bandwidth of blazing/specular-reflection-rejection, demonstrated here at X-band for convenience. If translated to appropriate frequencies, such technique can impact various applications such as Littrow cavities and lasers, spectroscopy, radar, and frequency scanned antenna reflectors.
Frustration of crystallisation by a liquid–crystal phase
Authors: Syme Christopher D. , Mosses Joanna , González-Jiménez Mario , Shebanova Olga , Walton Finlay , Wynne Klaas
Published: February 2017

Frustration of crystallisation by locally favoured structures is critically important in linking the phenomena of supercooling, glass formation, and liquid-liquid transitions. Here we show that the putative liquid-liquid transition in n-butanol is in fact caused by geometric frustration associated with an isotropic to rippled lamellar liquid-crystal transition. Liquid-crystal phases are generally regarded as being “in between” the liquid and the crystalline state. In contrast, the liquid-crystal phase in supercooled n-butanol is found to inhibit transformation to the crystal. The observed frustrated phase is a template for similar ordering in other liquids and likely to play an important role in supercooling and liquid-liquid transitions in many other molecular liquids.
The effect of gut microbiome on tolerance to morphine mediated antinociception in mice
Authors: Kang Minho , Mischel Ryan A. , Bhave Sukhada , Komla Essie , Cho Alvin , Huang Charity , Dewey William L. , Akbarali Hamid I.
Published: February 2017

There is growing appreciation for the importance of gastrointestinal microbiota in many physiological and pathophysiological processes. While morphine and other narcotics are the most widely prescribed therapy for moderate to severe pain clinically, they have been noted to alter microbial composition and promote bacterial translocation to other tissues. Here we examined the pharmacodynamic properties of chronic morphine in mice following bacterial depletion with oral gavage of an antibiotic cocktail (ABX). ABX significantly reduced gut bacteria and prevented chronic morphine induced increases in gut permeability, colonic mucosal destruction, and colonic IL-1β expression. In addition, ABX prevented the development of antinociceptive tolerance to chronic morphine in both the tail-immersion and acetic acid stretch assays. Morphine tolerance was also reduced by oral vancomycin that has 0% bioavailability. These findings were recapitulated in primary afferent neurons isolated from dorsal root ganglia (DRG) innervating the lower gastrointestinal tract, wherein in-vivo administration of ABX prevented tolerance to morphine-induced hypoexcitability. Finally, though ABX repeatedly demonstrated an ability to prevent tolerance, we show that it did not alter susceptibility to precipitation of withdrawal by naloxone. Collectively, these finding indicate that the gastrointestinal microbiome is an important modulator of physiological responses induced by chronic morphine administration.
The attention network changes in breast cancer patients receiving neoadjuvant chemotherapy: Evidence from an arterial spin labeling perfusion study
Authors: Chen Xingui , He Xiaoxuan , Tao Longxiang , Cheng Huaidong , Li Jingjing , Zhang Jingjie , Qiu Bensheng , Yu Yongqiang , Wang Kai
Published: February 2017

To investigate the neural mechanisms underlying attention deficits that are related to neoadjuvant chemotherapy in combination with cerebral perfusion. Thirty one patients with breast cancer who were scheduled to receive neoadjuvant chemotherapy and 34 healthy control subjects were included. The patients completed two assessments of the attention network tasks (ANT), neuropsychological background tests, and the arterial spin labeling scan, which were performed before neoadjuvant chemotherapy and after completing chemotherapy. After neoadjuvant chemotherapy, the patients exhibited reduced performance in the alerting and executive control attention networks but not the orienting network (p < 0.05) and showed significant increases in cerebral blood flow (CBF) in the left posterior cingulate gyrus, left middle occipital gyrus, bilateral precentral gyrus, inferior parietal gyrus, supramarginal gyrus, angular gyrus, precuneus, cuneus, superior occipital gyrus, calcarine cortex, and temporal gyrus (p < 0.01 corrected) when compared with patients before chemotherapy and healthy controls. A significant correlation was found between the decrease performance of ANT and the increase in CBF changes in some brain regions of the patients with breast cancer. The results demonstrated that neoadjuvant chemotherapy influences hemodynamic activity in different brain areas through increasing cerebral perfusion, which reduces the attention abilities in breast cancer patients.
Genetic analysis of 19 X chromosome STR loci for forensic purposes in four Chinese ethnic groups
Authors: Yang Xingyi , Zhang Xiaofang , Zhu Junyong , Chen Linli , Liu Changhui , Feng Xingling , Chen Ling , Wang Huijun , Liu Chao
Published: February 2017

A new 19 X- short tandem repeat (STR) multiplex PCR system has recently been developed, though its applicability in forensic studies has not been thoroughly assessed. In this study, 932 unrelated individuals from four Chinese ethnic groups (Han, Tibet, Uighur and Hui) were successfully genotyped using this new multiplex PCR system. Our results showed significant linkage disequilibrium between markers DXS10103 and DXS10101 in all four ethnic groups; markers DXS10159 and DXS10162, DXS6809 and DXS6789, and HPRTB and DXS10101 in Tibetan populations; and markers DXS10074 and DXS10075 in Uighur populations. The combined powers of discrimination in males and females were calculated according to haplotype frequencies from allele distributions rather than haplotype counts in the relevant population and were high in four ethnic groups. The cumulative powers of discrimination of the tested X-STR loci were 1.000000000000000 and 0.999999999997940 in females and males, respectively. All 19 X-STR loci are highly polymorphic. The highest Reynolds genetic distances were observed for the Tibet-Uighur pairwise comparisons. This study represents an extensive report on X-STR marker variation in minor Chinese populations and a comprehensive analysis of the diversity of these 19 X STR markers in four Chinese ethnic groups.
Natural persistence of the coastal plant Glehnia littoralis along temperate sandy coasts
Authors: Yang Hong-Xiao , Chu Jian-Min , Liu Xiao-Shan
Published: February 2017

We studied germination behaviors and persistence mechanism of wildGlehnia littoralis, a typical coastal species at temperate sandy coasts of the North Pacific Ocean, and tested the hypothesis that the coastal plants may have evolved special seeds adapting to the coasts, by which they recruit and persist easily, occupying the coasts as ideal habitats. In the Shandong Peninsula, China, we investigated temperature and moisture conditions of coast sand in relation to germination and evaluated effects of sand burial, seawater immersion and sowing time on germination. When germination began, daily dawn temperatures of sand were about 10 °C and daily noon temperatures were about 25 °C; the temperatures were not different in the sand <8 cm deep. The sand at these depths showed a significant difference in moisture contents. The seeds exhibited large germination rates if sand burial was at depths >= 3 cm and winter freezing was kept longer than 2.5 months. Seeds experiencing seawater immersion were able to germinate well. These evidences suggest thatG. littoralishas evolved special seeds adapting to seawater dispersal and specific season rhythm. By the seeds,G. littoralisoccupies temperate sandy coasts as ideal habitats to persist.
Association of Female Reproductive Factors with Hypertension, Diabetes and LQTc in Chinese Women
Authors: Xu Bayi , Chen Yequn , Xiong Jianping , Lu Nan , Tan Xuerui
Published: February 2017

The association of female reproductive factors (FRFs) with cardiovascular risk factors among different population was variable and inconsistent. The objective of this study was to examine the association between FRFs and hypertension, type 2 diabetes mellitus (DM), and long heart-rate-corrected QT interval (LQTc) in Chinese post-menopausal women (Post-MW). A total of 8046 Post-MW from the China Chaoshan Biobank Cohort Study were included for analysis. Logistic regression and general linear regression models were used to estimate the association between FRFs and hypertension, DM, and LQTc. Compared with women with 0 or 1 live birth, increasing risk of hypertension (odds ratio [OR], 1.51; 95% confidence interval [CI], 1.16–1.96), DM (OR, 1.65; 95% CI, 1.22–2.22), and LQTc (OR, 1.45; 95% CI, 1.01–2.09) were observed in women who had five or more live births. Further analysis demonstrated that the association between parity and hypertension, DM, and LQTc was mediated by lifestyle and dyslipidemia. Women with more live births had increased body mass index and waist circumstance, and were inclined to consume more salty food, animal fat, and alcohol, but less meat, vegetable, fish, plant oil, and tea, compared with that had fewer live births (all P < 0.05).
Correction: Corrigendum: Harnessing Nature’s Diversity: Discovering organophosphate bioscavenger characteristics among low molecular weight proteins
Authors: Jacob Reed B. , Michaels Kenan C. , Anderson Cathy J. , Fay James M. , Dokholyan Nikolay V.
Published: February 2017

Scientific Reports 6: Article number: 37175; published online: 15 November 2016; updated: 17 February 2017 The Acknowledgements section in this Article is incomplete. “The authors acknowledge David Mowrey, Marino Convertino, and Onur Dagliyan for their assistance in logic discussions. This project is funded by DTRA grant HDTRA-1-12-C-0074.
The Enforcement of Moral Boundaries Promotes Cooperation and Prosocial Behavior in Groups
Authors: Simpson Brent , Willer Robb , Harrell Ashley
Published: February 2017

The threat of free-riding makes the marshalling of cooperation from group members a fundamental challenge of social life. Where classical social science theory saw the enforcement of moral boundaries as a critical way by which group members regulate one another’s self-interest and build cooperation, moral judgments have most often been studied as processes internal to individuals. Here we investigate how the interpersonal expression of positive and negative moral judgments encourages cooperation in groups and prosocial behavior between group members. In a laboratory experiment, groups whose members could make moral judgments achieved greater cooperation than groups with no capacity to sanction, levels comparable to those of groups featuring costly material sanctions. In addition, members of moral judgment groups subsequently showed more interpersonal trust, trustworthiness, and generosity than all other groups. These findings extend prior work on peer enforcement, highlighting how the enforcement of moral boundaries offers an efficient solution to cooperation problems and promotes prosocial behavior between group members.
PEDF mediates pathological neovascularization by regulating macrophage recruitment and polarization in the mouse model of oxygen-induced retinopathy
Authors: Gao Sha , Li Changwei , Zhu Yanji , Wang Yanuo , Sui Ailing , Zhong Yisheng , Xie Bing , Shen Xi
Published: February 2017

Macrophages have been demonstrated to play a proangiogenic role in retinal pathological vascular growth. Pigment epithelium-derived factor (PEDF) works as a powerful endogenous angiogenesis inhibitor, but its role in macrophage recruitment and polarization is largely unknown. To explore the underlying mechanisms, we first evaluated macrophage polarization in the retinas of the oxygen-induced retinopathy (OIR) mouse model. Compared to that in normal controls, M1- and M2-like macrophages were all abundantly increased in the retinas of OIR mice. In addition, both M1 and M2 subtypes significantly promoted neovascularization in vitro and in vivo. In addition, we found that PEDF inhibited retinal neovascularization by dampening macrophage recruitment and polarization. Furthermore, PEDF inhibited macrophage polarization through adipose triglyceride lipase (ATGL) by regulating the activation of MAPKs and the Notch1 pathway, as we found that the phosphorylation of MAPKs, including p38MAPK, JNK and ERK, as well as the accumulation of Notch1 were essential for hypoxia-induced macrophage polarization, while PEDF significantly dampened M1 subtype-related iNOS and M2 subtype-related Arg-1 expression by inhibiting hypoxia-induced activation of Notch1 and MAPKs through ATGL. These findings reveal a protective role of PEDF against retinal neovascularization by regulating macrophage recruitment and polarization.
The propensity of the bacterial rodlin protein RdlB to form amyloid fibrils determines its function in Streptomyces coelicolor
Authors: Yang Wen , Willemse Joost , Sawyer Elizabeth B. , Lou Fei , Gong Weibin , Zhang Hong , Gras Sally L. , Claessen Dennis , Perrett Sarah
Published: February 2017

Streptomyces bacteria form reproductive aerial hyphae that are covered with a pattern of pairwise aligned fibrils called rodlets. The presence of the rodlet layer requires two homologous rodlin proteins, RdlA and RdlB, and the functional amyloid chaplin proteins, ChpA-H. In contrast to the redundancy shared among the eight chaplins, both RdlA and RdlB are indispensable for the establishment of this rodlet structure. By using a comprehensive biophysical approach combined with in vivo characterization we found that RdlB, but not RdlA, readily assembles into amyloid fibrils. The marked difference in amyloid propensity between these highly similar proteins could be largely attributed to a difference in amino acid sequence at just three sites. Further, an engineered RdlA protein in which these three key amino acids were replaced with the corresponding residues from RdlB could compensate for loss of RdlB and restore formation of the surface-exposed amyloid layer in bacteria. Our data reveal that RdlB is a new functional amyloid and provide a biophysical basis for the functional differences between the two rodlin proteins. This study enhances our understanding of how rodlin proteins contribute to formation of an outer fibrillar layer during spore morphogenesis in streptomycetes.
Visualisation of abscisic acid and 12-oxo-phytodienoic acid in immature Phaseolus vulgaris L. seeds using desorption electrospray ionisation-imaging mass spectrometry
Authors: Enomoto Hirofumi , Sensu Takuya , Sato Kei , Sato Futoshi , Paxton Thanai , Yumoto Emi , Miyamoto Koji , Asahina Masashi , Yokota Takao , Yamane Hisakazu
Published: February 2017

The plant hormone abscisic acid (ABA) and the jasmonic acid related-compound 12-oxo-phytodienoic acid (OPDA) play crucial roles in seed development, dormancy, and germination. However, a lack of suitable techniques for visualising plant hormones has restricted the investigation of their biological mechanisms. In the present study, desorption electrospray ionisation-imaging mass spectrometry (DESI-IMS), a powerful tool for visualising metabolites in biological tissues, was used to visualise ABA and OPDA in immature Phaseolus vulgaris L. seed sections. The mass spectra, peak values and chemical formulae obtained from the analysis of seed sections were consistent with those determined for ABA and OPDA standards, as were the precursor and major fragment ions observed in tandem mass spectrometry (MS/MS) imaging. Furthermore, the precursor and fragment ion images showed similar distribution patterns. In addition, the localisation of ABA and OPDA using DESI-IMS was confirmed using liquid chromatography-MS/MS (LC-MS/MS). The results indicated that ABA was mainly distributed in the radical and cotyledon of the embryo, whereas OPDA was distributed exclusively in external structures, such as the hilum and seed coat. The present study is the first to report the visualisation of plant hormones using IMS, and demonstrates that DESI-IMS is a promising technique for future plant hormone research.
Synthesis and EPR-spectroscopic characterization of the perchlorotriarylmethyl tricarboxylic acid radical (PTMTC) and its 13C labelled analogue (13C-PTMTC)
Authors: Elewa Marwa , Maltar-Strmečki Nadica , Said Mohamed M. , El Shihawy Hosam A. , El-Sadek Mohamed , Frank Juliane , Drescher Simon , Drescher Malte , Mäder Karsten , Hinderberger Dariush , Imming Peter
Published: February 2017

PTMTC with 50% 13C labelling allows for oxygen determination (12C-PTMTC) and insights into the local, nanoscopic environment (13C-PTMTC).
On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework
Authors: Olejniczak Małgorzata , Bast Radovan , Pereira Gomes André Severo
Published: February 2017

The implementation of second-order magnetic properties in a frozen density embedding scheme in a four component relativistic framework is outlined and applied to model H2X–H2O systems (X = Se, Te, Po).
Microfluidic train station: highly robust and multiplexable sorting of droplets on electric rails
Authors: Frenzel Daniel , Merten Christoph A.
Published: February 2017

Sorting droplets on electric rails significantly improves robustness and enables multiplexing.
N-tert-Prenylation of the indole ring improves the cytotoxicity of a short antagonist G analogue against small cell lung cancer
Authors: Offerman Shaun C. , Kadirvel Manikandan , Abusara Osama H. , Bryant Jennifer L. , Telfer Brian A. , Brown Gavin , Freeman Sally , White Anne , Williams Kaye J. , Aojula Harmesh S.
Published: February 2017

Prenylated sequences unlocks the development of new therapeutics as demonstrated for an anticancer agent.
Cholecystokinin-2/gastrin antagonists: 5-hydroxy-5-aryl-pyrrol-2-ones as anti-inflammatory analgesics for the treatment of inflammatory bowel disease
Authors: Lattmann E. , Sattayasai J. , Narayanan R. , Ngoc N. , Burrell D. , Balaram P. N. , Palizdar T. , Lattmann P.
Published: February 2017

Arylated 5-hydroxy-pyrrol-2-ones were prepared in 2 synthetic steps from mucochloric acid and optimised as CCK2-selective ligands using a range of assays.
CH3NH3PbI3 films prepared by combining 1- and 2-step deposition: how crystal growth conditions affect properties
Authors: Mokhtar Muhamad Z. , Chen Mu , Whittaker Eric , Hamilton Bruce , Aristidou Nicholas , Ramadan Simko , Gholinia Ali , Haque Saif A. , O'Brien Paul , Saunders Brian R.
Published: February 2017

The growth of CH3NH3PbI3 films is transformed using a new combined one-step and two-step deposition method which results in controlled morphology and property changes.
Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines
Authors: Gopalaiah Kovuru , Saini Anupama , Chandrudu Sankala Naga , Rao Devarapalli Chenna , Yadav Harsh , Kumar Binay
Published: February 2017

A versatile method for synthesis of quinoxalines by Cu-catalyzed oxidative coupling of o-phenylenediamines with 2-arylethylamines is presented.
Maternal Bonding through Pregnancy and Postnatal: Findings from an Australian Longitudinal Study
Authors: Rossen Larissa , Hutchinson Delyse , Wilson Judy , Burns Lucinda , Allsop Steve , Elliott Elizabeth , Jacobs Sue , Macdonald Jacqui , Olsson Craig , Mattick Richard
Published: February 2017

Background Mother-infant bonding provides the foundation for secure attachment through the lifespan and organizes many facets of infant social-emotional development, including later parenting.

Aims To describe maternal bonding to offspring across the pregnancy and postnatal periods, and to examine a broad range of sociodemographic and psychosocial predictors of the maternal-offspring bond.

Methods Data were drawn from a sample of 372 pregnant women participating in an Australian population-based longitudinal study of postnatal health and development. Participants completed maternal bonding questionnaires at each trimester and 8 weeks postnatal. Data were collected on a range of sociodemographic and psychosocial factors.

Results Bonding increased significantly through pregnancy, in quality and intensity. Regression analyses indicated that stronger antenatal bonding at all time points (trimesters 1 through 3) predicted stronger postnatal bonding. Older maternal age, birth mother being born in a non-English speaking country, mother not working full time, being a first-time mother, breast-feeding problems, and baby's crying behavior all predicted poorer bonding at 8 weeks postpartum.

Conclusion These novel findings have important implications for pregnant women and their infant offspring, and for health care professionals working in perinatal services. Importantly, interventions to strengthen maternal-fetal bonding would be beneficial during pregnancy to enhance postnatal bonding and infant health outcomes.
Chordoid Glioma of the Third Ventricle, a Rare Tumor with an Unexpected Outcome
Authors: Cunha Pedro , Rebelo Olinda , Barbosa Marcos
Published: February 2017

Chordoid glioma is a rare tumor of the third ventricle whose imaging features are difficult to distinguish from other more common lesions in this location. There are only 83 cases described so far in the literature. Although gross total resection (GTR) is the treatment of choice, immediate postoperative mortality with this approach can be as high as 29%, and morbidity among survivors can reach 67%. We report a case of a male patient of advanced age, with a third ventricle mass lesion, who presented with a progressive right temporal hemianopia. Imaging was compatible with craniopharyngioma, meningioma or even metastasis. Chordoid glioma was not considered in the differential diagnosis. The patient underwent surgery and GTR was achieved. There were no postoperative complications, and the patient was discharged from the hospital three weeks later. Unexpectedly, two days afterwards, he suffered a major brainstem hemorrhagic stroke and, unfortunately, died.
A frequency tunable relativistic magnetron with a wide operation regime
Authors: Shi Di-Fu , Qian Bao-Liang , Wang Hong-Gang , Li Wei , Du Guang-Xing
Published: February 2017

A frequency tunable relativistic magnetron (RM) with a wide operation regime is proposed. With the all cavity-magnetron axial extraction technique, the RM can output TEM mode with the operating frequency of 4.3 GHz, which is demonstrated as the dominating output mode by theoretical analysis, cold simulations and hot simulations respectively, corresponding to the output power of 466 MW and the power conversion efficiency of 56.4 %. It also can achieve a wide frequency tuning with the bandwidth of 0.96 GHz and the relative bandwidth of 20.8 %, corresponding to the output power of above 400 MW and the power conversion efficiency of above 40 %. Further simulation results show that the RM has strong performance robustness to the perturbations of the electrical parameters and almost all structural parameters except the cathode radius, anode radius and cavity radius, however two methods proposed in this paper can be taken to further improve the RM performance. The performance robustness enables the RM to operate with a wide parameter regime while keeping a good performance. In addition, a GW-level RM with the power conversion efficiency of 55.9 % also can be obtained.
Role of SiO2 coating in multiferroic CoCr2O4 nanoparticles
Authors: Kamran M. , Ullah Asmat , Mehmood Y. , Nadeem K. , Krenn H.
Published: February 2017

Effect of silica (SiO2) coating concentration on structural and magnetic properties of multiferroic cobalt chromite (CoCr2O4) nanoparticles have been studied. The nanoparticles with average crystallite size in the range 19 to 28 nm were synthesised by sol-gel method. X-ray diffraction (XRD) analysis has verified the composition of single-phase cubic normal spinel structure of CoCr2O4 nanoparticles. The average crystallite size and cell parameter decreased with increasing SiO2 concentration. TEM image revealed that the shape of nanoparticles was non-spherical. Zero field cooled/field cooled (ZFC/FC) curves revealed that nanoparticles underwent a transition from paramagnetic (PM) state to collinear short-range ferrimagnetic (FiM) state, and this PM–FiM transition temperature decreased from 101 to 95 K with increasing SiO2 concentration or decreasing crystallite size. A conical spin state at Ts = 27 K was also observed for all the samples which decreased with decreasing average crystallite size. Low temperature lock-in transition was also observed in these nanoparticles at 12 K for uncoated nanoparticles which slightly shifted towards low temperature with decreasing average crystallite size. Saturation magnetization (Ms) showed decreasing trend with increasing SiO2 concentration, which was due to decrease in average crystallite size of nanoparticles and enhanced surface disorder in smaller nanoparticles. The temperature dependent AC-susceptibility also showed the decrease in the transition temperature (Tc), broadening of the Tc peak and decrease in magnetization with increasing SiO2 concentration or decreasing average crystallite size. In summary, the concentration of SiO2 has significantly affected the structural and magnetic properties of CoCr2O4 nanoparticles.
Nonlinear dust-ion acoustic periodic travelling waves in a magnetized plasma with two temperature superthermal electrons and stationary charged dust grains
Authors: Abdelwahed H. G. , El-Shewy E. K. , El-Depsy A. , EL-Shamy E. F.
Published: February 2017

In this research, the nonlinear propagation of dust-ion acoustic (DIA) periodic travelling waves in a dusty plasma consisting of cold ions, stationary charged dust grains, and two temperature superthermal electrons is theoretically studied. A nonlinear Zakharov-Kuznetsov equation, which describes nonlinear dust-ion acoustic waves, is derived using a reductive perturbation method. Furthermore, the bifurcation theory has been employed to study the nonlinear propagation of DIA periodic travelling wave solutions. In the proposed model, the co-existence of both compressive and rarefactive DIA periodic travelling waves are found. The numerical investigations illustrate that the characteristics of nonlinear DIA periodic travelling waves strongly depend on the temperature ratio, both the concentration and the superthermality of cold electrons, the ion cyclotron frequency, the direction cosines of wave vector k along z axis, and the concentration of dusty grains. The present investigation can help in better understanding of nonlinear DIA periodic travelling waves in astrophysical environments with two temperature superthermal electrons such as Saturn's magnetosphere.
Structure and mechanisms underlying ion transport in ternary polymer electrolytes containing ionic liquids
Authors: Mogurampelly Santosh , Ganesan Venkat
Published: February 2017

We use all atom molecular dynamics simulations to investigate the influence of 1-butyl-3-methylimidazolium hexafluorophosphate (BMIMPF6) ionic liquid on the structure and transport properties of poly(ethylene oxide) (PEO) polymer electrolytes doped with LiPF6 salt. We observe enhanced diffusivities of the Li+, PF6−, and BMIM+ ions with increasing loading of the ionic liquid. Interplay between the different ion-ion and ion-polymer interactions is seen to lead to a destabilization of the Li–PF6 coordination and increase in the strength of association between the Li+ cations and the polymer backbone. As a consequence, the polymer segmental relaxation times are shown to be only moderately affected by the addition of ionic liquids. The ionic-liquid induced changes in the mobilities of Li+ ions are seen to be correlated to polymer segmental relaxation times. However, the mobilities of BMIM+ ions are seen to be more strongly correlated to the BMIM–PF6 ion-pair relaxation times.
General technique for analytical derivatives of post-projected Hartree-Fock
Authors: Tsuchimochi Takashi , Ten-no Seiichiro
Published: February 2017

In electronic structure theory, the availability of an analytical derivative is one of the desired features for a method to be useful in practical applications, as it allows for geometry optimization as well as computation of molecular properties. With the recent advances in the development of symmetry-projected Hartree-Fock (PHF) methods, we here aim at further extensions by devising the analytic gradients of post-PHF approaches with a special focus on spin-extended (spin-projected) configuration interaction with single and double substitutions (ECISD). Just like standard single-reference methods, the mean-field PHF part does not require the corresponding coupled-perturbed equation to be solved, while the correlation energy term needs the orbital relaxation effect to be accounted for, unless the underlying molecular orbitals are variationally optimized in the presence of the correlation energy. We present a general strategy for post-PHF analytical gradients, which closely parallels that for single-reference methods, yet addressing the major difference between them. The similarity between ECISD and multi-reference CI not only in the energy but also in the optimized geometry is clearly demonstrated by the numerical examples of ozone and cyclobutadiene.
The photoluminescence response to structural changes of Yb implanted ZnO crystals subjected to non-equilibrium processing
Authors: Ratajczak R. , Prucnal S. , Guziewicz E. , Mieszczynski C. , Snigurenko D. , Stachowicz M. , Skorupa W. , Turos A.
Published: February 2017

In this paper, we present the detailed study of optical and structural properties of Yb implanted single ZnO crystals. Hydrothermally grown wurtzite (0001) ZnO crystals were implanted with 150 keV Yb ions to fluencies of 5 × 1014 and 1 × 1015 at/cm2. After ion implantation, two different types of annealing were performed: rapid thermal annealing (RTA) and millisecond range flash lamp annealing (FLA). Crystalline quality, damage recovery, and Yb lattice site location were evaluated by the Channeling Rutherford Backscattering Spectrometry (RBS/c). It is shown that independent of the used annealing technique, defects formed in ZnO during ion implantation can be removed. Upon RTA performed at the temperature higher than 800 °C, strong out-diffusion of implanted Yb atoms and precipitation on the surface takes place. Consequently, the degradation of the photoluminescence (PL) efficiency is observed. The diffusion of implanted Yb during millisecond range FLA does not occur for such experimental conditions. Moreover, FLA treatment for 20 ms leads to the formation of single crystalline ZnO layer with Yb incorporated in the substitutional lattice sites. According to RBS/c and PL data, Yb atoms substituted in the Zn sublattice are predominantly in the 2+ oxidation state. The most intensive PL has been observed after annealing at 800 °C for 20 min which is accompanied with the reduction of Yb substitutional fraction and formation of octahedron Yb-oxygen clusters within ZnO.
Mapping of the resistance of a superconducting transition edge sensor as a function of temperature, current, and applied magnetic field
Authors: Zhang Shuo , Eckart Megan E. , Jaeckel Felix T. , Kripps Kari L. , McCammon Dan , Morgan Kelsey M. , Zhou Yu
Published: February 2017

We have measured the resistance R(T,I,Bext) of a superconducting transition edge sensor over the entire transition region on a fine scale, producing a four-dimensional map of the resistance surface. The dimensionless temperature and current sensitivities (α≡∂ log R/∂ log T|I and β≡∂ log R/∂ log I|T) of the TES resistance have been determined at each point. α and β are closely related to the sensor performance, but show a great deal of complex, large amplitude fine structure over large portions of the surface that is sensitive to the applied magnetic field. We discuss the relation of this structure to the presence of Josephson “weak link” fringes.
Observing visible-range photoluminescence in GaAs nanowires modified by laser irradiation
Authors: Alekseev P. A. , Dunaevskiy M. S. , Kirilenko D. A. , Smirnov A. N. , Davydov V. Yu. , Berkovits V. L.
Published: February 2017

We study the structural and chemical transformations induced by focused laser beam in GaAs nanowires with an axial zinc-blende/wurtzite (ZB/WZ) heterostructure. The experiments are performed using a combination of transmission electron microscopy, energy-dispersive X-ray spectroscopy, Raman scattering, and photoluminescence spectroscopy. For both the components of heterostructure, laser irradiation under atmospheric air is found to produce a double surface layer which is composed of crystalline arsenic and of amorphous GaOx. The latter compound is responsible for the appearance of a peak at 1.76 eV in photoluminescence spectra of GaAs nanowires. Under an increased laser power density, due to sample heating, evaporation of the surface crystalline arsenic and formation of β-Ga2O3 nanocrystals proceed on the surface of the zinc-blende part of nanowire. The formed nanocrystals reveal a photoluminescence band in a visible range of 1.7–2.4 eV. At the same power density for wurtzite part of the nanowire, total amorphization with the formation of β-Ga2O3 nanocrystals occurs. Observed transformation of WZ-GaAs to β-Ga2O3 nanocrystals presents an available way for the creation of axial and radial heterostructures ZB-GaAs/β-Ga2O3 for optoelectronic and photonic applications.