bluuebunny/crossref_metadata_2025 huggingface dataset:
Household financial burden of phenylketonuria and its impact on treatment in China: a cross‐sectional study
Authors: Wang Lin , Zou Hui , Ye Fang , Wang Kundi , Li Xiaowen , Chen Zhihua , Chen Jie , Han Bingjuan , Yu Weimin , He Chun , Shen Ming
Published: November 2016

Background

Phenylketonuria (PKU) is a rare inborn disease, which, untreated, leading to severe neurobehavioral dysfunction. Considering its complexity, the management of PKU may bring a formidable economic burden to parents and caregivers. It is still unknown what the out‐of‐pocket expenses are for a patient with PKU in China. This paper explores the household financial burden of classical PKU and its impact on Chinese families in a quantitative manner for the first time.

Methods

A non‐interventional and observational study was conducted at the China‐Japan Friendship Hospital, one of the national centers for inherited metabolic disorders in China. The medical and non‐medical household financial burdens were consolidated into a questionnaire to evaluate the out‐of‐pocket costs (OOPCs) of PKU treatment and follow‐up.

Findings

The total OOPCs were USD$3766.1 (0y), USD$3795.2 (1–2 ys), USD$4657.7 (3–4 ys), USD$5979.9 (5–8 ys), and USD$5588.7 (9 ys and older) for PKU patients of different age groups. The median economic burden of classical PKU was 75.0 % of total annual family income (range 1.0–779.1 %), and 94.4 % of the families exceeding the threshold considered as catastrophic expenditure. There was a negative correlation between the financial burden and the proportion of time when Phe concentrations were in the desired target range (120–250 μmol/L) in 0–4‐ys group (r = ‐0.474, p = 0.026).

Conclusions

The management of PKU is associated with a severe financial burden on patients’ families, which may lead to insufficient treatment or variation of blood Phe concentration. The current reimbursement policies are as yet inadequate. A national reimbursement system targeting treatment practices for PKU patients and other rare diseases across China is imperative.
The Impact of Living with Klinefelter Syndrome: A Qualitative Exploration of Adolescents and Adults
Authors: Turriff Amy , Macnamara Ellen , Levy Howard P. , Biesecker Barbara
Published: November 2016

Klinefelter syndrome (XXY) is a common yet significantly underdiagnosed condition with considerable medical, psychological and social implications. Many health care providers lack familiarity with XXY, resulting in medical management challenges and a limited understanding of the personal impact of the condition. Genetic counselors benefit from understanding the challenges adolescents and men with XXY face to effectively address their medical and psychosocial needs. The purpose of this study was to understand the impact of living with XXY as an adolescent or an adult. Individuals aged 14 to 75 years with self‐reported XXY were recruited from online support networks to complete a web‐based survey that included open‐ended questions. Open‐ended responses were coded and analyzed thematically (n = 169 to 210 for each open‐ended question). Over half of respondents to the open‐ended questions reported challenges in finding health care providers who are knowledgeable about XXY, with many describing an extensive diagnostic odyssey and relief when receiving a diagnosis. Individuals sought support coping with the challenges they face and acknowledgement of the positive aspects of XXY. Recommendations are made for how genetic counseling can enhance quality of life for individuals living with XXY.
Correlates of Postpartum Depression in First Time Mothers Without Previous Psychiatric Contact
Authors: Sylvén S.M. , Thomopoulos T.P. , Kollia N. , Jonsson M. , Skalkidou A.
Published: November 2016

Background

Postpartum depression (PPD) is a common disorder after childbirth. The strongest known predictors are a history of depression and/or a history of PPD. However, for a significant proportion of women, PPD constitutes their first depressive episode. This study aimed to gain further insight into the risk factors for PPD in first time mothers without previous psychiatric contact.

Methods

Women delivering in Uppsala University Hospital, Sweden, from May 2006 to June 2007, were asked to participate and filled out questionnaires five days and six weeks postpartum, containing inter alia the Edinburgh Postnatal Depression Scale (EPDS). Univariate logistic regression models, as well as a path analysis, were performed to unveil the complex interplay between the study variables.

Results

Of the 653 participating primiparas, 10.3% and 6.4% reported depressive symptoms (EPDS ≥ 12 points) five days and six weeks postpartum, respectively. In the path analysis, a positive association between anxiety proneness and depressive symptoms at five days and six weeks postpartum was identified. For depressive symptoms six weeks after delivery, additional risk factors were detected, namely depressive symptoms five days postpartum and subjective experience of problems with the baby. Caesarean section and assisted vaginal delivery were associated with fewer depressive symptoms at 6 six weeks postpartum.

Conclusions

Identification of anxiety proneness, delivery mode and problems with the baby as risk factors for self-reported depressive symptoms postpartum in this group of primiparas can be important in helping health care professionals identify women at increased risk of affective disorders in the perinatal period, and provide a base for early intervention.
Gender‐Dependent Differences in Hip Range of Motion and Impingement Testing in Asymptomatic College Freshman Athletes
Authors: Czuppon Sylvia , Prather Heidi , Hunt Devyani M. , Steger‐May Karen , Bloom Nancy J. , Clohisy John C. , Larsen Richard , Harris‐Hayes Marcie
Published: November 2016

Background

Athletic activity is a proposed factor in the development and progression of intra‐articular hip pathology. Early diagnosis and preventive treatments in “at‐risk” athletes are needed.

Objectives

Our primary objective was to report hip range of motion (ROM) and prevalence of positive impingement testing in asymptomatic college freshman athletes. Our secondary objective was to determine whether an association exists between hip ROM and a positive flexion‐adduction‐internal rotation (FADIR) test.

Design

Cross‐sectional study.

Setting

Collegiate athletic campus.

Participants

Four hundred thirty (299 male, 131 female) freshman athletes reporting no current or previous hip pain.

Methods

During the athletes' preseason medical screening, trained examiners performed a hip‐specific exam to obtain data for hip ROM and impingement testing.

Main Outcome Measurements

Bilateral passive ROM measures included hip flexion, and hip internal and external rotation with the hip flexed 0° and 90°.

Results

Mean age of male participants was 18.5 ± 0.8 and female participants was 18.3 ± 0.6 years (P = .003). Male participants demonstrated less hip ROM than female participants in flexion (115.8 ± 11.2° versus 122.0 ± 10.5°, P < .001), internal rotation in 90° flexion (26.9 ± 9.8° versus 34.7 ± 10.7°, P < .001) and 0° flexion (29.0 ± 9.8° versus 38.9 ± 10.1°, P < .001), and external rotation in 90° flexion (44.7 ± 10.9° versus 49.7 ± 10.4°, P < .001) but not for external rotation in 0° flexion (39.8 ± 11.1° versus 37.6 ± 11.5°, P = .06). Pain with FADIR test on the right and left hip were reported in 11.9% and 14.5% of athletes, respectively. Gender and a positive FADIR were not related (male 12.2%, female 15.3%, P = .36).

Conclusions

In asymptomatic college freshman athletes, male athletes generally demonstrated less hip ROM than female athletes. In addition, a positive FADIR was more prevalent than previously reported in healthy young adults. Preseason screenings that use these baseline data in conjunction with other examination findings may allow identification of athletes at future risk for hip pain and/or injury.

Level of Evidence

IV
Lyapunov spectrum for Hénon-like maps at the first bifurcation
Authors: TAKAHASI HIROKI
Published: November 2016

For a strongly dissipative Hénon-like map at the first bifurcation parameter at which the uniform hyperbolicity is destroyed by the formation of tangencies inside the limit set, we effect a multifractal analysis, i.e. decompose the set of non-wandering points on the unstable manifold into level sets of an unstable Lyapunov exponent, and give a partial description of the Lyapunov spectrum which encodes this decomposition. We derive a formula for the Hausdorff dimension of the level sets in terms of the entropy and unstable Lyapunov exponent of invariant probability measures, and show the continuity of the Lyapunov spectrum. We also show that the set of points for which the unstable Lyapunov exponents do not exist carries the full Hausdorff dimension.
Ultrahigh temporal contrast performance of the PHELIX petawatt facility
Authors: Bagnoud V. , Wagner F.
Published: November 2016

We report on the temporal contrast performance of the PHELIX facility in view of the requirements imposed by solid-target interaction experiments. The requirement analysis for the nanosecond and picosecond temporal contrast is derived from empirical data and simple theoretical modeling, while the realization shows that using an ultrafast optical parametric amplifier and plasma mirrors enables meeting this specification.
A note on the optimal dividends paid in a foreign currency
Authors: Eisenberg Julia , Krühner Paul
Published: November 2016

We consider an insurance entity endowed with an initial capital and a surplus process modelled as a Brownian motion with drift. It is assumed that the company seeks to maximise the cumulated value of expected discounted dividends, which are declared or paid in a foreign currency. The currency fluctuation is modelled as a Lévy process. We consider both cases: restricted and unrestricted dividend payments. It turns out that the value function and the optimal strategy can be calculated explicitly.
DciA is an ancestral replicative helicase operator essential for bacterial replication initiation
Authors: Brézellec Pierre , Vallet-Gely Isabelle , Possoz Christophe , Quevillon-Cheruel Sophie , Ferat Jean-Luc
Published: November 2016

Delivery of the replicative helicase onto DNA is an essential step in the initiation of replication. In bacteria, DnaC (in Escherichia coli) and DnaI (in Bacillus subtilis) are representative of the two known mechanisms that assist the replicative helicase at this stage. Here, we establish that these two strategies cannot be regarded as prototypical of the bacterial domain since dnaC and dnaI (dna[CI]) are present in only a few bacterial phyla. We show that dna[CI] was domesticated at least seven times through evolution in bacteria and at the expense of one gene, which we rename dciA (dna[CI] antecedent), suggesting that DciA and Dna[CI] share a common function. We validate this hypothesis by establishing in Pseudomonas aeruginosa that DciA possesses the attributes of the replicative helicase-operating proteins associated with replication initiation.
Sensing of HSV-1 by the cGAS–STING pathway in microglia orchestrates antiviral defence in the CNS
Authors: Reinert Line S. , Lopušná Katarína , Winther Henriette , Sun Chenglong , Thomsen Martin K. , Nandakumar Ramya , Mogensen Trine H. , Meyer Morten , Vægter Christian , Nyengaard Jens R. , Fitzgerald Katherine A. , Paludan Søren R.
Published: November 2016

Herpes simplex encephalitis (HSE) is the most common form of acute viral encephalitis in industrialized countries. Type I interferon (IFN) is important for control of herpes simplex virus (HSV-1) in the central nervous system (CNS). Here we show that microglia are the main source of HSV-induced type I IFN expression in CNS cells and these cytokines are induced in a cGAS–STING-dependent manner. Consistently, mice defective in cGAS or STING are highly susceptible to acute HSE. Although STING is redundant for cell-autonomous antiviral resistance in astrocytes and neurons, viral replication is strongly increased in neurons in STING-deficient mice. Interestingly, HSV-infected microglia confer STING-dependent antiviral activities in neurons and prime type I IFN production in astrocytes through the TLR3 pathway. Thus, sensing of HSV-1 infection in the CNS by microglia through the cGAS–STING pathway orchestrates an antiviral program that includes type I IFNs and immune-priming of other cell types.
Coupled binding mechanism of three sodium ions and aspartate in the glutamate transporter homologue GltTk
Authors: Guskov Albert , Jensen Sonja , Faustino Ignacio , Marrink Siewert J. , Slotboom Dirk Jan
Published: November 2016

Glutamate transporters catalyse the thermodynamically unfavourable transport of anionic amino acids across the cell membrane by coupling it to the downhill transport of cations. This coupling mechanism is still poorly understood, in part because the available crystal structures of these transporters are of relatively low resolution. Here we solve crystal structures of the archaeal transporter GltTk in the presence and absence of aspartate and use molecular dynamics simulations and binding assays to show how strict coupling between the binding of three sodium ions and aspartate takes place.
A Late Cretaceous diversification of Asian oviraptorid dinosaurs: evidence from a new species preserved in an unusual posture
Authors: Lü Junchang , Chen Rongjun , Brusatte Stephen L. , Zhu Yangxiao , Shen Caizhi
Published: November 2016

Oviraptorosaurs are a bizarre group of bird-like theropod dinosaurs, the derived forms of which have shortened, toothless skulls, and which diverged from close relatives by developing peculiar feeding adaptations. Although once among the most mysterious of dinosaurs, oviraptorosaurs are becoming better understood with the discovery of many new fossils in Asia and North America. The Ganzhou area of southern China is emerging as a hotspot of oviraptorosaur discoveries, as over the past half decade five new monotypic genera have been found in the latest Cretaceous (Maastrichtian) deposits of this region. We here report a sixth diagnostic oviraptorosaur from Ganzhou, Tongtianlong limosus gen. et sp. nov., represented by a remarkably well-preserved specimen in an unusual splayed-limb and raised-head posture. Tongtianlong is a derived oviraptorid oviraptorosaur, differentiated from other species by its unique dome-like skull roof, highly convex premaxilla, and other features of the skull. The large number of oviraptorosaurs from Ganzhou, which often differ in cranial morphologies related to feeding, document an evolutionary radiation of these dinosaurs during the very latest Cretaceous of Asia, which helped establish one of the last diverse dinosaur faunas before the end-Cretaceous extinction.
Indoor terpene emissions from cooking with herbs and pepper and their secondary organic aerosol production potential
Authors: Klein Felix , Farren Naomi J. , Bozzetti Carlo , Daellenbach Kaspar R. , Kilic Dogushan , Kumar Nivedita K. , Pieber Simone M. , Slowik Jay G. , Tuthill Rosemary N. , Hamilton Jacqueline F. , Baltensperger Urs , Prévôt André S. H. , El Haddad Imad
Published: November 2016

Cooking is widely recognized as an important source of indoor and outdoor particle and volatile organic compound emissions with potential deleterious effects on human health. Nevertheless, cooking emissions remain poorly characterized. Here the effect of herbs and pepper on cooking emissions was investigated for the first time to the best of our knowledge using state of the art mass spectrometric analysis of particle and gas-phase composition. Further, the secondary organic aerosol production potential of the gas-phase emissions was determined by smog chamber aging experiments. The emissions of frying meat with herbs and pepper include large amounts of mono-, sesqui- and diterpenes as well as various terpenoids and p-cymene. The average total terpene emission rate from the use of herbs and pepper during cooking is estimated to be 46 ± 5 gg-1Herbsmin-1. These compounds are highly reactive in the atmosphere and lead to significant amounts of secondary organic aerosol upon aging. In summary we demonstrate that cooking with condiments can constitute an important yet overlooked source of terpenes in indoor air.
Erratum: Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS2
Authors: Friedemann S. , Chang H. , Gamża M. B. , Reiss P. , Chen X. , Alireza P. , Coniglio W. A. , Graf D. , Tozer S. , Grosche F. M.
Published: November 2016

Scientific Reports 6: Article number: 25335; published online: 12 May 2016; updated: 10 November 2016
Long-term lifestyle interventions in middle-aged and elderly men with nonalcoholic fatty liver disease: a randomized controlled trial
Authors: Dong Fangyuan , Zhang Yan , Huang Yiqin , Wang Yiqian , Zhang Gansheng , Hu Xiaona , Wang Jiaofeng , Chen Jie , Bao Zhijun
Published: November 2016

Nonalcoholic fatty liver disease (NAFLD), a metabolic disorder related to insulin resistance and metabolic syndrome, has become a public health concern. Currently, the principal therapeutic modalities targeting NAFLD are lifestyle interventions. However, the efficacy of long-term lifestyle interventions in managing NAFLD remains largely unexplored. This study aimed to evaluate the efficacy of long-term lifestyle interventions in middle-aged and elderly men with NAFLD. All 280 eligible patients were randomized to the control or test group. Patients in the test group received counseling on diet and exercise from 2 physicians every 3 months via a phone call. Patients in the control group received only counseling in annual checkups without regular intervention. After the 2-year periodic intervention, body weight, abdominal circumference, ALT, TCH, LDL-C and HDL-C decreased in the test group. Specifically, the fatty liver index (FLI) and NAFLD-fibrosis score (NAFLD-FS) reduced markedly in the test group. However, in the control group, there was only a significant decrease in LDL-C, HDL-C and NAFLD-FS (P < 0.001). The liver steatosis grade of the test group decreased significantly, while it increased in the control group. In NAFLD, long-term lifestyle interventions exert an anti-obesity effect and attenuate liver dysfunction and steatosis.
Contribution of sleep to the repair of neuronal DNA double-strand breaks: evidence from flies and mice
Authors: Bellesi Michele , Bushey Daniel , Chini Mattia , Tononi Giulio , Cirelli Chiara
Published: November 2016

Exploration of a novel environment leads to neuronal DNA double-strand breaks (DSBs). These DSBs are generated by type 2 topoisomerase to relieve topological constrains that limit transcription of plasticity-related immediate early genes. If not promptly repaired, however, DSBs may lead to cell death. Since the induction of plasticity-related genes is higher in wake than in sleep, we asked whether it is specifically wake associated with synaptic plasticity that leads to DSBs, and whether sleep provides any selective advantage over wake in their repair. In flies and mice, we find that enriched wake, more than simply time spent awake, induces DSBs, and their repair in mice is delayed or prevented by subsequent wake. In both species the repair of irradiation-induced neuronal DSBs is also quicker during sleep, and mouse genes mediating the response to DNA damage are upregulated in sleep. Thus, sleep facilitates the repair of neuronal DSBs.
The use of targeted exome sequencing in genetic diagnosis of young patients with severe hypercholesterolemia
Authors: Jiang Long , Wu Wen-Feng , Sun Li-Yuan , Chen Pan-Pan , Wang Wei , Benito-Vicente Asier , Zhang Fan , Pan Xiao-Dong , Cui Wei , Yang Shi-Wei , Zhou Yu-Jie , Martin Cesar , Wang Lu-Ya
Published: November 2016

Familial hypercholesterolemia (FH) is an autosomal dominant disorder. Although genetic testing is an important tool for detecting FH-causing mutations in patients, diagnostic methods for young patients with severe hypercholesterolemia are understudied. This study compares the target exome sequencing (TES) technique with the DNA resequencing array technique on young patients with severe hypercholesterolemia. A total of 20 unrelated patients (mean age 14.8 years) with total cholesterol > 10 mmol/L were included. 12 patient samples were processed by DNA resequencing array, 14 patient samples were processed by TES, and 6 patient samples were processed by both methods. Functional characterization of novel mutations was performed by flow cytometry. The mutation detection rate (MDR) of DNA resequencing array was 75%, while the MDR of TES was 100%. A total of 27 different mutations in the LDLR were identified, including 3 novel mutations and 8 mutations with previously unknown pathogenicity. Functional characterization of c.673delA, c.1363delC, p.Leu575Phe and p.Leu582Phe variants found that all of them are pathogenic. Additionally, 7 patients were diagnosed with Heterozygous FH (HeFH) in which lipid levels were significantly higher than common HeFH patients. This data indicates that TES is a very efficient tool for genetic diagnosis in young patients with severe hypercholesterolemia.
Evidence that ferritin is associated with light production in the mucus of the marine worm Chaetopterus
Authors: Rawat Renu , Deheyn Dimitri D.
Published: November 2016

The blue glow of the mucus fromChaetopterusinvolves a photoprotein, iron and flavins. Identity and respective role of these components remain, however, largely unresolved today, likely because of viscosity issues and inhibition of this system by oxidizers conventionally used to track bioluminescence activity. Here, we used gentle centrifugation to obtain a mucus supernatant showing no inhibition to oxidizers, allowing for further analysis. We applied conventional chromatographic techniques to isolate major proteins associated with light emission. Luminescence ability of elutriate fractions was tested with hydrogen peroxide to track photoprotein and/or protein-bound chromophore. Fractions producing light contained few major proteins, one with similarity to ferritin. Addition to the mucus of elements with inhibitory/potentiary effect on ferritin ferroxidase activity induced corresponding changes in light production, emphasizing the possible role of ferritin in the worm bioluminescence. DNA of the protein was cloned, sequenced, and expressed, confirming its identity to aChaetopterusFerritin (ChF). Both ferric and ferrous iron were found in the mucus, indicating the occurrence of both oxidase and reductase activity. Biochemical analysis showed ChF has strong ferroxidase activity, which could be a source of biological iron and catalytic energy for the worm bioluminescence when coupled to a reduction process with flavins.
Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis
Authors: Chen Jianzhong , Wang Jinan , Zhu Weiliang
Published: November 2016

More and more researchers are interested in and focused on how a limited repertoire of antibodies can bind and correspondingly protect against an almost limitless diversity of invading antigens. In this work, a series of 200-ns molecular dynamics (MD) simulations followed by principal component (PC) analysis and free energy calculations were performed to probe potential mechanism of conformational diversity of antibody SPE7. The results show that the motion direction of loops H3 and L3 is different relative to each other, implying that a big structural difference exists between these two loops. The calculated energy landscapes suggest that the changes in the backbone angles ψ and φ of H-Y101 and H-Y105 provide significant contributions to the conformational diversity of SPE7. The dihedral angle analyses based on MD trajectories show that the side-chain conformational changes of several key residues H-W33, H-Y105, L-Y34 and L-W93 around binding site of SPE7 play a key role in the conformational diversity of SPE7, which gives a reasonable explanation for potential mechanism of cross-reactivity of single antibody toward multiple antigens.
Correction: Corrigendum: Effective pinning energy landscape perturbations for propagating magnetic domain walls
Authors: Burn D. M. , Atkinson D.
Published: November 2016

Scientific Reports 6: Article number: 34517; published online: 03 October 2016; updated: 10 November 2016
Novel time-temperature and ‘consume-within’ indicator based on gas-diffusion
Authors: Mills A. , Hawthorne D. , Graham A. , Lawrie K.
Published: November 2016

New TTI based on a two layered label, which once peeled-apart changes colour at a time and temperature dependent rate.
Asymmetric synthesis of functionalized trifluoromethyl-substituted pyrrolidines via an organocatalytic domino Michael/Mannich [3+2] cycloaddition
Authors: Zhi Ying , Zhao Kun , Liu Qiang , Wang Ai , Enders Dieter
Published: November 2016

The asymmetric synthesis of highly functionalized pyrrolidine derivatives with three contiguous stereogenic centers and bearing a trifluoromethyl group has been developed through an organocatalytic domino Michael/Mannich [3+2] cycloaddition sequence.
Ferric carbide nanocrystals encapsulated in nitrogen-doped carbon nanotubes as an outstanding environmental catalyst
Authors: Wang Chen , Kang Jian , Liang Ping , Zhang Huayang , Sun Hongqi , Tadé Moses O. , Wang Shaobin
Published: November 2016

Iron carbide nanocrystals encapsulated by nitrogen-doped carbon nanotubes demonstrated efficient and robust environmental catalysis for green remediation processes.
Improved broadband and omnidirectional light absorption in silicon nanopillars achieved through gradient mesoporosity induced leaky waveguide modulation
Authors: Karadan Prajith , Anappara Aji. A. , Moorthy V. H. S. , Narayana Chandrabhas , Barshilia Harish C.
Published: November 2016

Omnidirectional and polarization insensitive light coupling through mesoporosity induced waveguiding in Si nanopillars, fabricated by metal assisted chemical etching and nanosphere lithography.
Effective parameters on conductivity of mineralized carbon nanofibers: an investigation using artificial neural networks
Authors: Samadian Hadi , Zakariaee Seyed Salman , Adabi Mahdi , Mobasheri Hamid , Azami Mahmoud , Faridi-Majidi Reza
Published: November 2016

The aim of this study was to predict the effects of different parameters on the conductivity of mineralized PAN-based carbon nanofibers by the artificial neural network (ANN) method.
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
Authors: Young Jonathon , Schäfer Christian , Solan Agnes , Baldrica Anthony , Belcher Miranda , Nişanci Bilal , Wheeler Kraig A. , R. Trivedi Evan , Török Béla , Dembinski Roman
Published: November 2016

Reaction of alk-3-yn-1-ones with non-symmetricalo-phenylenediamines provides an effective method with high atom economy for the synthesis of diversely substituted 1,5-benzodiazepines and conjugated enaminones.
Correction: Concentration-induced structural transition of block polymer self-assemblies on a nanoparticle surface: computer simulation
Authors: Xiang Wenjun , Zhu Zhaoju , Song Xianyu , Zhong Cheng , Wang Chengjie , Ma Yongzhang
Published: November 2016

Correction for ‘Concentration-induced structural transition of block polymer self-assemblies on a nanoparticle surface: computer simulation’ by Wenjun Xiang et al., RSC Adv., 2016, 6, 102057–102067
Trends in electrode development for next generation solid oxide fuel cells
Authors: Kan Wang Hay , Samson Alfred Junio , Thangadurai Venkataraman
Published: November 2016

High temperature electrochemical devices, such as solid oxide fuel cells (SOFCs), will play a vital role in the future green and sustainable energy industries due to direct utilization of carbon-based fuels and their ability to couple with renewable energies to convert by-products into valuable fuels using solid oxide electrolysis cells (SOECs).
Controlled growth of polythiophene nanofibers in TiO2 nanotube arrays for supercapacitor applications
Authors: Ambade Rohan B. , Ambade Swapnil B. , Shrestha Nabeen K. , Salunkhe Rahul R. , Lee Wonjoo , Bagde Sushil S. , Kim Jung Ho , Stadler Florian J. , Yamauchi Yusuke , Lee Soo-Hyoung
Published: November 2016

A facile formation of 1D polythiophene nanofibers is proposed by an electropolymerization reaction into the hollow matrix of TiO2 nanotube arrays.
n-Type doping for efficient polymeric electron-transporting layers in perovskite solar cells
Authors: Guo Yunlong , Sato Wataru , Inoue Kento , Zhang Weifeng , Yu Gui , Nakamura Eiichi
Published: November 2016

n-Type doping of a polymeric electron-transporting layer in a perovskite solar cell doubles the performance of the device.
Understanding the temperature-dependent evolution of solution processed metal oxide transistor characteristics based on molecular precursor derived amorphous indium zinc oxide
Authors: Sanctis Shawn , Hoffmann Rudolf C. , Precht Ruben , Anwand Wolfgang , Schneider Jörg J.
Published: November 2016

Photoelectron emission spectroscopy and positron annihilation spectroscopy allow a comprehensive interpretation of the performance of IZO-based TFTs.
Pr3+-Doped (K0.5Na0.5)NbO3 as a high response optical oxygen sensing agent
Authors: Tang Wei , Sun Ye , Wang Shaochen , Du Baosheng , Yin Yongqi , Liu Xiao , Yang Bin , Cao Wenwu , Yu Miao
Published: November 2016

Pr3+-Doped (K0.5Na0.5)NbO3 has been demonstrated to be an excellent photoluminescence-based oxygen sensing agent, showing an ultra-high response of up to 300%.
Tunable doping in PbS nanocrystal field-effect transistors using surface molecular dipoles
Authors: Nugraha Mohamad I. , Matsui Hiroyuki , Bisri Satria Z. , Sytnyk Mykhailo , Heiss Wolfgang , Loi Maria A. , Takeya Jun
Published: November 2016

We study the effect of self-assembled monolayer (SAM) treatment of the SiO2 dielectric on the electrical characteristics of PbS transistors. Using SAMs, we observe threshold voltage shifts in the electron transport, allowing us to tune the electrical properties of the devices depending on the SAM molecule used. Moreover, the use of a specific SAM improves the charge carrier mobility in the devices by a factor of three, which is attributed to the reduced interface traps due to passivated silanol on the SiO2 surface. These reduced traps confirm that the voltage shifts are not caused by the trap states induced by the SAMs.
Analytic one-electron properties at the 4-component relativistic coupled cluster level with inclusion of spin-orbit coupling
Authors: Shee Avijit , Visscher Lucas , Saue Trond
Published: November 2016

We present a formulation and implementation of the calculation of (orbital-unrelaxed) expectation values at the 4-component relativistic coupled cluster level with spin-orbit coupling included from the start. The Lagrangian-based analytical energy derivative technique constitutes the basic theoretical framework of this work. The key algorithms for single reference relativistic coupled cluster have been implemented using routines for general tensor contractions of up to rank-2 tensors in which the direct product decomposition scheme is employed to benefit from double group symmetry. As a sample application, we study the electric field gradient at the bismuth nucleus in the BiX (X = N, P) series of molecules, where the effect of spin-orbit coupling is substantial. Our results clearly indicate that the current reference value for the nuclear quadrupole moment of 209Bi needs revision. We also have applied our method to the calculation of the parity violating energy shift of chiral molecules. The latter property is strictly zero in the absence of spin-orbit coupling. For the H2X2 (X = O,S,Se,Te) series of molecules the effect of correlation is found to be quite small.
Fourier-transform microwave spectroscopy of a halogen substituted Criegee intermediate ClCHOO
Authors: Cabezas Carlos , Guillemin Jean-Claude , Endo Yasuki
Published: November 2016

Pure rotational spectra of the chloro-substituted Criegee intermediate (ClCHOO) were observed by Fourier-transform microwave spectroscopy. Two conformers (syn and anti) of the isolated molecule were identified from the rotational spectra of the parent and 37Cl and 13C isotopologues detected in natural abundance. Rotational constants, centrifugal distortion constants, and all components of the nuclear quadrupole coupling tensor were determined for both conformers. Structural features of the molecule have been rationalized with supporting ab initio calculations and the natural bond orbital analysis, which suggest that the conformational preferences are driven by hyperconjugative effects.
Linear and nonlinear dynamics of an insoluble surfactant-laden liquid bridge
Authors: Ponce-Torres Alberto , Herrada Miguel A. , Montanero José M. , Vega José M.
Published: November 2016

This paper deals with the linear and nonlinear dynamics of an axisymmetric liquid bridge whose free surface is covered with an insoluble surfactant. In particular, we focus on the effect of the Marangoni elasticity and surface viscosities, both shear and dilatational. For linear oscillations, both the frequencies and damping rates are calculated and their dependence on the surfactant properties are elucidated. Nonlinear dynamics are considered in the breakage process, taking into account the effect of the surfactant properties on the formation of satellite droplets and the dynamics near pinch-off. In particular, it is seen that Marangoni elasticity and surface viscosities lead to qualitatively different trends. Finally, a method to measure these surface properties is outlined based on the results presented in this paper.
Non-magnetic flexible heaters for spin-exchange optical pumping of 3He and other applications
Authors: Ino T. , Hayashida H. , Kira H. , Oku T. , Sakai K.
Published: November 2016

Spin polarized 3He gas is currently widely used in various scientific fields and in medical diagnosis applications. The spin polarization of 3He nuclei can be achieved by spin-exchange optical pumping (SEOP). In SEOP, the 3He gas is enclosed in a glass cell together with alkali metals and is then heated to maintain the alkali metal vapor pressures at the appropriate levels. However, polarized 3He gas is highly sensitive to any inhomogeneity in its magnetic field, and any small field gradients caused by the heaters may cause degradation of the 3He polarization. To overcome this conflict between the heating process and the magnetic field, we have developed electrical heaters that essentially cause no magnetic fields. These heaters are thin and are flexible enough to be bent to within a radius of a few centimeters. These carefully designed heater elements and a double layer structure effectively eliminate magnetic field generation. The heaters were originally developed for SEOP applications, but can also be applied to other processes that need to avoid unwanted magnetic fields.
Evanescent vortex: Optical subwavelength spanner
Authors: Mei Shengtao , Huang Kun , Zhang Tianhang , Mehmood Muhammad Qasim , Liu Hong , Lim Chwee Teck , Teng Jinghua , Qiu Cheng-Wei
Published: November 2016

Conventional optical spanners based on free-space focused vortex beams are very difficult to manipulate subwavelength objects due to the diffraction limit, while optical subwavelength spanners are not explored. Evanescent wave is one potential tool to realize subwavelength trapping. By combining vortex with evanescent field, we find that the evanescent vortex can function as an optical subwavelength spanner. We investigate the factors that will affect the generation/function of this subwavelength spanner, including numerical aperture and topological charge. Further, by calculating the optical force and potential on the illuminated objects, we have demonstrated that the evanescent optical vortex field is able to trap 200 nm polystyrene spherical particles and to rotate them around the ring-shaped field at the same time, making it a subwavelength optical spanner. This mechanism can be used as a tool to study the behaviour of very small objects in physics and biology.
Alloying Effect Study on Thermodynamic Stability of MgH2 by First-principles Calculation
Authors: Wan Zhen-zhen , Wang Zhong-min , Wang Dian-hui , Zhong Yan , Deng Jian-qiu , Zhou Huai-ying , Hu Chao-hao
Published: November 2016

First-principles calculations based on density functional theory were performed to study the effect of alloying on the thermodynamic stability of MgH2 hydride (rutile and fluorite structures) with transitional metals (TM=Sc, Ti, Y) and group IIA elements (M=Ca, Sr, Ba). The results indicate that fluorite structure of these hydrides are more stable than its relative rutile structure at low alloying content (less 20%), structural destabilization of MgH2 appears in the alloying cases of Ti, Sr and Ba respectively. The structure-transition point from rutile structure to fluorite structure is at around 20% for MgH2-TM, and about 40% for MgH2-M. The formation enthalpy of fluorite Mg0.5Ba0.5H2 is about 0.3 eV and higher than that of fluorite MgH2, indicating that its hydrogen-desorption temperature at atmospheric pressure will be much lower than that of pure MgH2. Good consistency between experimental and calculated data suggests that above-adopted method is useful to predict structural transition and properties of MgH2 based hydrides for hydrogen storage.
Surface Chemistry of Ga(CH3)3 on Pd(111) and Effect of Pre-covered H and O
Authors: Ding Liang-bing , Ma Yun-sheng , Hu Jie , Chen Bo-hao
Published: November 2016

The adsorption and decomposition of trimethylgallium (Ga(CH3)3, TMG) on Pd(111) and the effect of pre-covered H and O were studied by temperature programmed desorption spectroscopy and X-ray photoelectron spectroscopy. TMG adsorbs dissociatively at 140 K and the surface is covered by a mixture of Ga(CH3)x (x=1, 2 or 3) and CHx(a) (x=1, 2 or 3) species. During the heating process, the decomposition of Ga(CH3)3 on clean Pd(111) follows a progressive Ga−C bond cleavage process with CH4 and H2 as the desorption products. The desorption of Ga-containing molecules (probably GaCH3) is also identified in the temperature range of 275–325 K. At higher annealing temperature, carbon deposits and metallic Ga are left on the surface and start to diffuse into the bulk of the substrate. The presence of precovered H(a) and O(a) has a significant effect on the adsorption and decomposition behavior of TMG. When the surface is pre-covered by saturated H2, CH4, and H2 desorptions are mainly observed at ∼315 K, which is ascribed to the dissociation of GaCH3 intermediate. In the case of O-precovered surface, the dissociation mostly occurs at ∼258 K, of which a Pd-O-Ga(CH3)2 structure is assumed to be the precusor. The presented results may provide some insights into the mechanism of surface reaction during the film deposition by using trimethylgallium as precursor.
A risk assessment for the introduction of invasive fish for Kejimkujik National Park and National Historic Site, Canada
Authors: Davis Mathew , McCarthy Chris , Beazley Karen
Published: November 2016

Recent research has highlighted the need for invasive species risk assessments that consider multiple factors, such as habitat suitability and life history. With invasive species encroaching on the boundary of Kejimkujik National Park and National Historic Site (Kejimkujik), Canada, there is concern surrounding the potential ecological effects on the Park’s freshwater ecosystems. Herein we present a multifactor risk analysis for the risks of introduction of two invasive species, smallmouth bass and chain pickerel. Methods included computer-based analysis of cost–distance and habitat suitability, and a literature-based review of management techniques. Smallmouth bass were found to have a high risk of establishment and consequent ecological effects in Kejimkujik. Although chain pickerel can also negatively affect aquatic communities, their separation from the Park’s primary watershed and low dispersal ability resulted in lower levels of risk. Four recommendations were developed following a review of management techniques: (1) containment of the source population for smallmouth bass; (2) public education, outreach and communication; (3) monitoring and rapid response upon detection; and (4) collaboration with other parties. Although the present study focused on Kejimkujik, similar challenges for invasive freshwater fish assessment and mitigation exist elsewhere, and our methods may prove illustrative for researchers and managers working under similar conditions.
Screening and management of risk factors for cardiovascular disease in HIV-positive patients attending an Australian urban sexual health clinic
Authors: Kakar Sheena , Drak Douglas , Amin Tahiya , Cheung Jason , O'Connor Catherine , Gracey David
Published: November 2016

Background
Few data exist regarding cardiovascular risk among HIV-infected patients attending sexual health clinics (SHC) in Australia. Methods: The medical records of 188 patients attending an inner-city SHC between August 2013 and July 2014 were retrospectively reviewed for cardiovascular risk factors and associated screening and management practices. Results: Cardiovascular risk factors were common among attendees of the SHC, including smoking (38%), hypertension (14%) and dyslipidaemia (11%). Of the 188 patients, 23% reported using potentially cardiotoxic recreational drugs, 25% of dyslipidaemic patients were not on therapy and 10% of patients were hypertensive; none were prescribed treatment. A smoking cessation program was offered to all patients. Conclusion: A high prevalence of risk factors for cardiovascular disease was demonstrated. Modification of risk factors could be improved.
Schizosaccharomyces pombe
kinesin-5 switches direction using a steric blocking mechanism
Authors: Britto Mishan , Goulet Adeline , Rizvi Syeda , von Loeffelholz Ottilie , Moores Carolyn A. , Cross Robert A.
Published: November 2016

Significance

Molecular motors organize cells by hauling molecular cargoes along polymer tracks (actin filaments or microtubules). Until recently, the stepping direction of each motor was thought to be fixed; however, it now emerges that yeast kinesin-5 motors can reverse their stepping direction. How does this work? We show that the stepping direction of Cut7, a yeast kinesin-5 motor, depends on the level of motor crowding on the microtubule, and that crowding of Cut7 by non-Cut7 proteins also can drive reversal. To explain this, we propose that stepping of Cut7 in one direction is blocked by collisions with neighbors, whereas stepping in the other direction, being less space-hungry, is not. Crowding-dependent directional reversal is a hitherto-unsuspected aspect of motor-driven self-organization in cells.
High-density array-CGH with targeted NGS unmask multiple noncontiguous minute deletions on chromosome 3p21 in mesothelioma
Authors: Yoshikawa Yoshie , Emi Mitsuru , Hashimoto-Tamaoki Tomoko , Ohmuraya Masaki , Sato Ayuko , Tsujimura Tohru , Hasegawa Seiki , Nakano Takashi , Nasu Masaki , Pastorino Sandra , Szymiczek Agata , Bononi Angela , Tanji Mika , Pagano Ian , Gaudino Giovanni , Napolitano Andrea , Goparaju Chandra , Pass Harvey I. , Yang Haining , Carbone Michele
Published: November 2016

Significance

We found that gene mutations/deletions are frequent in mesothelioma and occur through a variety of DNA alterations. We identified genes implicated in malignant mesothelioma:SETD2,SMARCC1,PBRM1. Previous next-generation studies (NGS) underestimated the frequency of genetic alterations in malignant mesothelioma because NGS mainly identifies nucleotide level mutations. Our findings are of general relevance to the field of cancer research that relies almost exclusively on NGS to identify gene alterations in cancer biopsies, and uses this information to design specific molecular therapies. An integrated approach that includes a high-density comparative genomic hybridization array and NGS or targeted-NGS, as conducted here, may reveal additional genes that are inactivated by mechanisms other than point mutations. This information may inform us on how to design more effective molecular therapies.
Transcriptional start site heterogeneity modulates the structure and function of the HIV-1 genome
Authors: Kharytonchyk Siarhei , Monti Sarah , Smaldino Philip J. , Van Verna , Bolden Nicholas C. , Brown Joshua D. , Russo Emily , Swanson Canessa , Shuey Alex , Telesnitsky Alice , Summers Michael F.
Published: November 2016

Significance

Current dogma states that the integrated HIV type 1 provirus encodes a single RNA transcript that serves as both mRNA for generating viral proteins and as genomic RNA that is packaged and used for reverse transcription. We now show that multiple transcripts with different functions are generated in infected cells, a consequence of heterogeneous transcriptional start site usage. Transcripts that begin with a single capped guanosine are specifically selected for packaging, whereas those that begin with two or three capped guanosines are enriched on polysomes and used for translation. In vitro studies with recombinant 5′-leader transcripts reveal a mechanism by which the incorporation of a single 5′ guanosine dramatically alters the structure, function, and fate of the viral RNA.
Influence of film thickness on structural and optical-switching properties of vanadium pentoxide films
Authors: Zhang S. B. , Zuo D. W. , Lu W. Z.
Published: November 2016

Vanadium oxide films were deposited at different sputtering times on sapphire substrates by radio frequency reactive magnetron sputtering. The effects of thickness on the surface structural, morphology and optical-switching properties of the films were studied comprehensively. X-ray diffraction results show that all the prepared films are polycrystalline vanadium pentoxide films (V2O5) on (001) preferred orientation. Both root-mean-square roughness and average surface grain size decrease with the increase of thickness. With the thickness reduction, the closing time decreases first and then increases at the turning point of 350 nm, and the maximum and the minimum are 2.7 ms at 600 nm and 1.7 ms at 350 nm, respectively. The recovery time decreases rapidly with the reduction of the film, which varies from 40 ms at 600 nm to 27 ms at 150 nm. More concerning, the dynamic range of transmittance varies greatly from thickness, and the transmittance ratio before and after the phase transition covers from 3.75 at 150 nm to the maximum of 7.3 at 600 nm under a continuous probe light of 1064 nm.
Nitrocarburising of AISI 316 stainless steel at low temperature
Authors: Jiang L. , Luo H. , Zhao C.
Published: November 2016

In this study, a low-temperature salt bath nitrocarburising method was used to modify the surface of AISI 316 stainless steel. The results showed that nitrogen and carbon atoms were coinstantaneously diffused into the austenite lattice during the nitrocarburising treatment. A supersaturated solid solution with nitrogen and carbon atoms, which has a face centre tetragonal structure, was formed. Moreover, the surface hardness of salt bath nitrocarburised AISI 316 reached 900 HV0.05 which was four times the hardness of the untreated sample. By adjusting treating time and treating temperature, both the surface hardness and the corrosion resistance of the stainless steel were enhanced. Overall, a nitrocarburised layer having the advantages of high hardness, favourable hardness gradient and excellent corrosion resistance was obtained on AISI 316 stainless steel surface by using low-temperature salt bath nitrocarburising.
Telling Time: Statues and Stasis, Daphnis et Chloé and L'après-midi d'un faune
Authors: Vajjhala Rachana
Published: November 2016

This article considers the statuomaniacal impulse sweeping Paris in the first years of the twentieth century, and how contemporary interest in the animation of antiquities resulted in new ways of seeing. Despite the shared aspects of setting and choreographic inspiration, Daphnis et Chloé and L'après-midi d'un faune staged profoundly divergent conceptions of how bodies could and should move, a result of emerging optical modes.