bluuebunny/crossref_metadata_2025 huggingface dataset:
RETRACTED – Immune recognition of excretory and secretory products of the filarial nematode Onchocerca ochengi in cattle and human sera
Authors: Djafsia B. , Ndjonka D. , Dikti J.V. , van Hoorn S. , Manchang K. , Brattig N. , Liebau E.
Published: September 2015

Excretory–secretory (ES) products of nematodes and other helminths are the first molecules to interact with cell surfaces and soluble proteins within the host. In the present study, ES products of the filarial nematode Onchocerca ochengi were investigated as a model for Onchocerca volvulus, the causative agent of river blindness. These products were collected from adult and larval stages in vitro over a period of 7 days, to compare their immunological recognition in cattle and human sera, infected with species of Onchocerca. From the 156 sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE) ES products or extracts, protein bands showed different patterns between female and male products. A comparison of antibody recognition of the different ES products by sera from infected cattle and humans, when analysed by enzyme-linked immunosorbent assay (ELISA), revealed a relatively higher reactivity of the female somatic extract to human and cattle sera compared to ES products of both genders. Nevertheless, similar reactivity of the O. ochengi male and female ES products to human and cattle sera was noticed. As a result, the interaction of ES products with the surface of the host and immune system often led to host responses, including the generation of antibodies. The O. ochengi ES products are therefore good sources of potential immunogenic proteins. The identification of these ES products is in progress, with the aim of developing vaccine candidates against human onchocerciasis.
Loneliness and social support among lesbian, gay, bisexual, transgender and intersex people aged 50 and over
Authors: HUGHES MARK
Published: September 2015

Loneliness is a debilitating condition with particular negative health effects, including psychological distress. While the vast majority of older people do not experience significant degrees of loneliness, a minority do and there are some reports that this is even greater among lesbian, gay, bisexual, transgender and intersex (LGBTI) seniors. This article examines the experience of loneliness and social support among LGBTI people aged 50 and over living in New South Wales, Australia. It also explores their interest in participating in social and health-promoting activities. Findings from an online survey delivered to 312 people are reported. Loneliness was associated with living alone, not being in a relationship, higher psychological distress and lower mental health. Nonetheless, most respondents reported that they are able to gain support from both biological family and friends if they need it in a crisis. The social and health-promoting activities that were most preferred among all respondents were fitness groups, walking groups, swimming and meditation. Those who experienced the greatest degree of loneliness were much more likely than those who were less lonely to want to participate in social and health-promoting activities with other LGBTI people. The findings indicate scope for community organisations to develop targeted interventions, such as those social and health-promoting activities most preferred by the participants of this study.
A cross-sectional audit of the prevalence of stunting in children attending a regional paediatric cardiology service
Authors: Marino Luise V. , Magee Alan
Published: September 2015

CHD is associated with poor growth, delayed motor and language skills development, and increased length of hospital stay; 28.2% of infants were stunted, with z-scores<−2. The severity of surgery score was not associated with an increased length of stay, suggesting that a low weight-for-age z-score at the time of surgery may impact on length of stay.
Pushing the boundaries: Integration of multi-source digital elevation model data for seamless geological mapping of the UK's coastal zone
Authors: Westhead Keith , Smith Kay , Campbell Evelyn , Colenutt Andrew , McVey Stuart
Published: September 2015

Recent advances in marine acoustic survey and land-based topographic monitoring technologies have resulted in increasingly cost-effective data acquisition in coastal areas. The DEFRA-funded National Network of Regional Coastal Monitoring Programmes of England are, for example, utilising swath bathymetry and airborne light detection and ranging (LiDAR) technology more routinely to survey the coastal zone around the coastline of England. The demand for data processing, visualisation and interpretation techniques to keep pace with such advances in data acquisition is clear. This study discusses collection and processing techniques for such data on the south coast of Dorset, England, which have enabled the production of a seamless, high spatial resolution digital elevation model across the coastal zone. Case studies demonstrate how this elevation model can be viewed and analysed using state-of-the-art digital techniques to allow geological mapping to be extended from onshore to offshore in unprecedented detail, effectively eliminating what is known as the ‘White Ribbon’ for coastal geological mapping. The potential for rolling out such techniques for wider surveying programmes across many environmental disciplines is significant, which could contribute towards improving the multi-disciplinary scientific evidence base in the complex coastal zone.
Risk factors affecting child cognitive development: a summary of nutrition, environment, and maternal–child interaction indicators for sub-Saharan Africa
Authors: Ford N. D. , Stein A. D.
Published: September 2015

An estimated 200 million children worldwide fail to meet their development potential due to poverty, poor health and unstimulating environments. Missing developmental milestones has lasting effects on adult human capital. Africa has a large burden of risk factors for poor child development. The objective of this paper is to identify scope for improvement at the country level in three domains – nutrition, environment, and mother–child interactions. We used nationally representative data from large-scale surveys, data repositories and country reports from 2000 to 2014. Overall, there was heterogeneity in performance across domains, suggesting that each country faces distinct challenges in addressing risk factors for poor child development. Data were lacking for many indicators, especially in the mother–child interaction domain. There is a clear need to improve routine collection of high-quality, country-level indicators relevant to child development to assess risk and track progress.
Microbial Communities Form Iron Shells in Abandoned Mines
Authors: Shultz David
Published: September 2015

Fungi and bacteria deposit metal ions on steel objects left behind by miners. These metals form strange clam-like shells on the steel surfaces.
The positive piezoconductive effect in graphene
Authors: Xu Kang , Wang Ke , Zhao Wei , Bao Wenzhong , Liu Erfu , Ren Yafei , Wang Miao , Fu Yajun , Zeng Junwen , Li Zhaoguo , Zhou Wei , Song Fengqi , Wang Xinran , Shi Yi , Wan Xiangang , Fuhrer Michael S. , Wang Baigeng , Qiao Zhenhua , Miao Feng , Xing Dingyu
Published: September 2015

As the thinnest conductive and elastic material, graphene is expected to play a crucial role in post-Moore era. Besides applications on electronic devices, graphene has shown great potential for nano-electromechanical systems. While interlayer interactions play a key role in modifying the electronic structures of layered materials, no attention has been given to their impact on electromechanical properties. Here we report the positive piezoconductive effect observed in suspended bi- and multi-layer graphene. The effect is highly layer number dependent and shows the most pronounced response for tri-layer graphene. The effect, and its dependence on the layer number, can be understood as resulting from the strain-induced competition between interlayer coupling and intralayer transport, as confirmed by the numerical calculations based on the non-equilibrium Green’s function method. Our results enrich the understanding of graphene and point to layer number as a powerful tool for tuning the electromechanical properties of graphene for future applications.
Novel PRD-like homeodomain transcription factors and retrotransposon elements in early human development
Authors: Töhönen Virpi , Katayama Shintaro , Vesterlund Liselotte , Jouhilahti Eeva-Mari , Sheikhi Mona , Madissoon Elo , Filippini-Cattaneo Giuditta , Jaconi Marisa , Johnsson Anna , Bürglin Thomas R. , Linnarsson Sten , Hovatta Outi , Kere Juha
Published: September 2015

Transcriptional program that drives human preimplantation development is largely unknown. Here, by using single-cell RNA sequencing of 348 oocytes, zygotes and single blastomeres from 2- to 3-day-old embryos, we provide a detailed analysis of the human preimplantation transcriptome. By quantifying transcript far 5′-ends (TFEs), we include in our analysis transcripts that derive from alternative promoters. We show that 32 and 129 genes are transcribed during the transition from oocyte to four-cell stage and from four- to eight-cell stage, respectively. A number of identified transcripts originates from previously unannotated genes that include the PRD-like homeobox genes ARGFX, CPHX1, CPHX2, DPRX, DUXA, DUXB and LEUTX. Employing de novo promoter motif extraction on sequences surrounding TFEs, we identify significantly enriched gene regulatory motifs that often overlap with Alu elements. Our high-resolution analysis of the human transcriptome during preimplantation development may have important implications on future studies of human pluripotent stem cells and cell reprograming.
Monolayered Bi2WO6 nanosheets mimicking heterojunction interface with open surfaces for photocatalysis
Authors: Zhou Yangen , Zhang Yongfan , Lin Mousheng , Long Jinlin , Zhang Zizhong , Lin Huaxiang , Wu Jeffrey C.-S. , Wang Xuxu
Published: September 2015

Two-dimensional-layered heterojunctions have attracted extensive interest recently due to their exciting behaviours in electronic/optoelectronic devices as well as solar energy conversion systems. However, layered heterojunction materials, especially those made by stacking different monolayers together by strong chemical bonds rather than by weak van der Waal interactions, are still challenging to fabricate. Here the monolayer Bi2WO6 with a sandwich substructure of [BiO]+–[WO4]2−–[BiO]+ is reported. This material may be characterized as a layered heterojunction with different monolayer oxides held together by chemical bonds. Coordinatively unsaturated Bi atoms are present as active sites on the surface. On irradiation, holes are generated directly on the active surface layer and electrons in the middle layer, which leads to the outstanding performances of the monolayer material in solar energy conversion. Our work provides a general bottom-up route for designing and preparing novel monolayer materials with ultrafast charge separation and active surface.
Non-Classical monocytes display inflammatory features: Validation in Sepsis and Systemic Lupus Erythematous
Authors: Mukherjee Ratnadeep , Kanti Barman Pijus , Kumar Thatoi Pravat , Tripathy Rina , Kumar Das Bidyut , Ravindran Balachandran
Published: September 2015

Given the importance of monocytes in pathogenesis of infectious and other inflammatory disorders, delineating functional and phenotypic characterization of monocyte subsets has emerged as a critical requirement. Although human monocytes have been subdivided into three different populations based on surface expression of CD14 and CD16, published reports suffer from contradictions with respect to subset phenotypes and function. This has been attributed to discrepancies in reliable gating strategies for flow cytometric characterization and purification protocols contributing to significant changes in receptor expression. By using a combination of multicolour flow cytometry and a high-dimensional automated clustering algorithm to confirm robustness of gating strategy and analysis of ex-vivo activation of whole blood with LPS we demonstrate the following: a. ‘Classical’ monocytes are phagocytic with no inflammatory attributes, b. ‘Non-classical’ subtype display ‘inflammatory’ characteristics on activation and display properties for antigen presentation and c. ‘Intermediate’ subtype that constitutes a very small percentage in circulation (under physiological conditions) appear to be transitional monocytes that display both phagocytic and inflammatory function. Analysis of blood from patients with Sepsis, a pathogen driven acute inflammatory disease and Systemic Lupus Erythmatosus (SLE), a chronic inflammatory disorder validated the broad conclusions drawn in the study.
Photosystem I cyclic electron flow via chloroplast NADH dehydrogenase-like complex performs a physiological role for photosynthesis at low light
Authors: Yamori Wataru , Shikanai Toshiharu , Makino Amane
Published: September 2015

Cyclic electron transport around photosystem I (PS I) was discovered more than a half-century ago and two pathways have been identified in angiosperms. Although substantial progress has been made in understanding the structure of the chloroplast NADH dehydrogenase-like (NDH) complex, which mediates one route of the cyclic electron transport pathways, its physiological function is not well understood. Most studies focused on the role of the NDH-dependent PS I cyclic electron transport in alleviation of oxidative damage in strong light. In contrast, here it is shown that impairment of NDH-dependent cyclic electron flow in rice specifically causes a reduction in the electron transport rate through PS I (ETR I) at low light intensity with a concomitant reduction in CO2 assimilation rate, plant biomass and importantly, grain production. There was no effect on PS II function at low or high light intensity. We propose a significant physiological function for the chloroplast NDH at low light intensities commonly experienced during the reproductive and ripening stages of rice cultivation that have adverse effects crop yield.
Learning to distinguish between predators and non-predators: understanding the critical role of diet cues and predator odours in generalisation
Authors: Mitchell Matthew D. , Chivers Douglas P. , McCormick Mark I. , Ferrari Maud C.O.
Published: September 2015

It is critical for prey to recognise predators and distinguish predators from non-threatening species. Yet, we have little understanding of how prey develop effective predator recognition templates. Recent studies suggest that prey may actually learn key predator features which can be used to recognise novel species with similar characteristics. However, non-predators are sometimes mislabelled as predators when generalising recognition. Here, we conduct the first comprehensive investigation of how prey integrate information on predator odours and predator diet cues in generalisation, allowing them to discriminate between predators and non-predators. We taught lemon damselfish to recognise a predator fed a fish diet and tested them for their response to the known predator and a series of novel predators (fed fish diet) and non-predators (fed squid diet) distributed across a phylogenetic gradient. Our findings show that damselfish distinguish between predators and non-predators when generalising recognition. Additional experiments revealed that generalised recognition did not result from recognition of predator odours or diet cues, but that damselfish based recognition on what they learned during the initial conditioning. Incorporating multiple sources of information enables prey to develop highly plastic and accurate recognition templates that will increase survival in patchy environments where they have little prior knowledge.
Association between vitamin C intake and the risk of pancreatic cancer: a meta-analysis of observational studies
Authors: Fan Hua , Kou Jiantao , Han Dongdong , Li Ping , Zhang Dong , Wu Qiao , He Qiang
Published: September 2015

Quantification of the association between the intake of vitamin C and risk of pancreatic cancer is still conflicting. We therefore conducted a meta-analysis to assess the association between them. Pertinent studies were identified by a search of PubMed and Web of Knowledge throughSeptember of 2014. A random effects model was used to combine the data for analysis. Sensitivity analysis and publication bias were conducted. Data from 17 studies including 4827 pancreatic cancer cases were used in this meta-analysis. Pooled results suggested that highest vitamin C intake amount versus lowest amount was significantlyassociated with reduced the risk of pancreatic cancer [summary relative risk (RR) = 0.705, 95% CI = 0.612–0.811, I2 = 42.3%]. The associations were also significant both in Caucasian [summary RR = 0.741, 95% CI = 0.626–0.876], Asian [summary RR = 0.455, 95% CI = 0.275–0.754] and Mixed population [summary RR = 0.677, 95% CI = 0.508–0.901]. No publication bias was found. Our analysis suggested that the higher intake of vitamin C might reduce the risk of pancreatic cancer.
Hyperinsulinemia shifted energy supply from glucose to ketone bodies in early nonalcoholic steatohepatitis from high-fat high-sucrose diet induced Bama minipigs
Authors: Yang Shu-lin , Xia Ji-han , Zhang Yuan-yuan , Fan Jian-gao , Wang Hua , Yuan Jing , Zhao Zhan-zhao , Pan Qin , Mu Yu-lian , Xin Lei-lei , Chen Yao-xing , Li Kui
Published: September 2015

The minipig can serve as a good pharmacological model for human subjects. However, the long-term pathogenesis of high-calorie diet-induced metabolic syndromes, including NASH, has not been well described in minipigs. We examined the development of metabolic syndromes in Bama minipigs that were fed a high-fat, high-sucrose diet (HFHSD) for 23 months, by using histology and serum biochemistry and by profiling the gene expression patterns in the livers of HFHSD pigs compared to controls. The pathology findings revealed microvesicular steatosis, iron overload, arachidonic acid synthesis, lipid peroxidation, reduced antioxidant capacity, increased cellular damage and inflammation in the liver. RNA-seq analysis revealed that 164 genes were differentially expressed between the livers of the HFHSD and control groups. The pathogenesis of early-stage NASH was characterized by hyperinsulinemia and by de novo synthesis of fatty acids and nascent triglycerides, which were deposited as lipid droplets in hepatocytes. Hyperinsulinemia shifted the energy supply from glucose to ketone bodies and the high ketone body concentration induced the overexpression of cytochrome P450 2E1 (CYP2E1). The iron overload, CYP2E1 and alcohol dehydrogenase 4 overexpression promoted reactive oxygen species (ROS) production, which resulted in arachidonic and linoleic acid peroxidation and, in turn, led to malondialdehyde production and a cellular response to ROS-mediated DNA damage.
Interaction of dendritic cells and T lymphocytes for the therapeutic effect of Dangguiliuhuang decoction to autoimmune diabetes
Authors: Liu Tingting , Cao Hui , Ji Yachun , Pei Yufeng , Yu Zhihong , Quan Yihong , Xiang Ming
Published: September 2015

In traditional Chinese medicine (TCM), Dangguiliuhuang decoction (DGLHD) is an effective treatment of autoimmune diabetes. Here, we studied potential anti-diabetic mechanisms of DGLHD in a non-obese diabetic (NOD) mouse model. In vitro, DGLHD and individual active ingredients enhanced glucose uptake in HepG2 cells, inhibited T lymphocyte proliferation and suppressed dendritic cells (DCs) function. In vivo, DGLHD significantly inhibited insulitis, delayed the onset and development of diabetes, promoted insulin secretion and sensitivity and balanced partially normalized Th1 and Th2 cytokines in NOD mice. In addition, DGLHD increased α1-antitrypsin (AAT-1), Bcl-2 and CyclinD1 and decreased Bax levels in pancreas, spleen, thymus, DCs and a NIT-1 cell line, all consistent with protecting and repairing islet β cell. More detailed studies indicated that DGLHD regulated the maturation and function of DCs, decreased the percentage of merocytic dendritic cells (mcDCs) subset and increased programmed death ligand-1 (PD-L1) expression in DCs. DGLHD also impeded T lymphocyte proliferation and promoted regulatory T cells (Tregs) differentiation in vivo. A JAK2-STAT3-dependent pathway was involved in the suppression by DGLHD of interactions between DCs and T lymphocyte. The experiments implicated five active ingredients in specific anti-diabetic actions of DGLHD. The results demonstrated the reasonable composition of the formula.
Novel WT1 Missense Mutations in Han Chinese Women with Premature Ovarian Failure
Authors: Wang Huidan , Li Guangyu , Zhang Jun , Gao Fei , Li Weiping , Qin Yingying , Chen Zi-Jiang
Published: September 2015

Premature ovarian failure (POF) is a heterogeneous disease. Though dozens of candidate genes have been identified for the genetic etiology of POF, it is largely unexplained in majority of patients. Recently, Wt1+/R394W mice was found to present POF-like phenotype, which indicates that WT1 might be a plausible candidate gene for non-syndromic POF. The coding region of WT1 gene was screened in 384 patients with POF and 6 novel variations were identified, including two missense mutations (p. Pro126Ser in exon1 and p. Arg370His in exon7) and four intronic variants (c.647-27C > T, c.647-13G > C, c.647-13G > A in intron1 and c.950 + 14T > C in intron 4). In vitro experiments showed that both mutant p. Pro126Ser and p. Arg370His repressed the expression of Amh and Cdh1 and induced the expression of Fshr and Cyp19 in mRNA level (P < 0.05). The expression changes of AMH, FSHR, CYP19 and CDH1 were confirmed by western blot. These genes (AMH, FSHR, CYP19 and CDH1) are required for granular cells (GCs) proliferation, differentiation and oocyte-GCs interaction. The novel mutant p. P126S and p. R370H in the WT1 gene potentially impaired GCs differentiation and oocyte-GCs interaction, which might result in loss of follicles prematurely. Therefore, WT1 is a plausible causal gene for POF.
An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography
Authors: Yamashita Keitaro , Pan Dongqing , Okuda Tomohiko , Sugahara Michihiro , Kodan Atsushi , Yamaguchi Tomohiro , Murai Tomohiro , Gomi Keiko , Kajiyama Naoki , Mizohata Eiichi , Suzuki Mamoru , Nango Eriko , Tono Kensuke , Joti Yasumasa , Kameshima Takashi , Park Jaehyun , Song Changyong , Hatsui Takaki , Yabashi Makina , Iwata So , Kato Hiroaki , Ago Hideo , Yamamoto Masaki , Nakatsu Toru
Published: September 2015

Serial femtosecond crystallography (SFX) with X-ray free electron lasers (XFELs) holds great potential for structure determination of challenging proteins that are not amenable to producing large well diffracting crystals. Efficient de novo phasing methods are highly demanding and as such most SFX structures have been determined by molecular replacement methods. Here we employed single isomorphous replacement with anomalous scattering (SIRAS) for phasing and demonstrate successful application to SFX de novo phasing. Only about 20,000 patterns in total were needed for SIRAS phasing while single wavelength anomalous dispersion (SAD) phasing was unsuccessful with more than 80,000 patterns of derivative crystals. We employed high energy X-rays from SACLA (12.6 keV) to take advantage of the large anomalous enhancement near the LIII absorption edge of Hg, which is one of the most widely used heavy atoms for phasing in conventional protein crystallography. Hard XFEL is of benefit for de novo phasing in the use of routinely used heavy atoms and high resolution data collection.
Sleep patterns in Amazon rubber tappers with and without electric light at home
Authors: Moreno C. R. C. , Vasconcelos S. , Marqueze E. C. , Lowden A. , Middleton B. , Fischer F. M. , Louzada F. M. , Skene D. J.
Published: September 2015

Today’s modern society is exposed to artificial electric lighting in addition to the natural light-dark cycle. Studies assessing the impact of electric light exposure on sleep and its relation to work hours are rare due to the ubiquitous presence of electricity. Here we report a unique study conducted in two phases in a homogenous group of rubber tappers living and working in a remote area of the Amazon forest, comparing those living without electric light (n = 243 in first phase; n = 25 in second phase) to those with electric light at home (n = 97 in first phase; n = 17 in second phase). Questionnaire data (Phase 1) revealed that rubber tappers with availability of electric light had significantly shorter sleep on work days (30 min/day less) than those without electric light. Analysis of the data from the Phase 2 sample showed a significant delay in the timing of melatonin onset in workers with electric light compared to those without electric light (p < 0.01). Electric lighting delayed sleep onset and reduced sleep duration during the work week and appears to interfere with alignment of the circadian timing system to the natural light/dark cycle.
A new bifunctional fluorescent sensor based on naphthalimide-functionalized silica nanoparticles for detection and adsorption of Cu2+ in aqueous solution
Authors: Zhang Xiangyang , Shen Youming , Zhang Hui , Jin Junling , Zhou Shibiao
Published: September 2015

A new bifunctional fluorescent sensor for Cu2+ based on naphthalimide-functionalized silica nanoparticles (NF-SiO2) was designed and synthesized.
A voltammetric sensor based on multi-walled carbon nanotube–MnO2 nanowire composite film for simultaneous determination of hydroquinone and catechol
Authors: Tang Jing , Jin Baokang
Published: September 2015

Cyclic voltammograms of a mixture solution of 0.1 mM HQ and 0.1 mM CC at a bare GCE, MWCNTs/GCE, MnO2/GCE and MWCNTs–MnO2/GCE.
Synthesis of diversely substituted 2-(furan-3-yl)acetates from allenols through cascade carbonylations
Authors: He Yan , Zhang Xinying , Fan Xuesen
Published: September 2015

Novel synthesis of diversely substituted 2-(furan-3-yl)acetatesviapalladium-catalyzed one-pot multi-component reactions of allenols, aryl iodides, alcohols, and carbon monoxide has been developed. Moreover, the 2-(furan-3-yl)acetates obtained were found to be ready intermediates for the construction of the biologically significant naphtho[1,2-b]furan-5-ol scaffold.
Non-symmetric pincer ligands: complexes and applications in catalysis
Authors: Asay Matthew , Morales-Morales David
Published: September 2015

Non-symmetric pincer ligands and their complexes have become relevant in different areas of chemistry greatly increasing the pincer structural motifs known and hence their physical and chemical properties. The impact of these species in organometallic chemistry and catalysis is discussed in this perspective.
Combination effect of ionic liquid components on the structure and properties in 1,4-benzenedicarboxylate based zinc metal–organic frameworks
Authors: Zhang Zong-Hui , Liu Bing , Xu Ling , Jiao Huan
Published: September 2015

Two types of eleven Zn–BDC compounds were synthesized by ionothermal reactions. The combination effects of RMI+ and X− on the structure construction, TG, and fluorescence are observed.
Electrode instead of catalyst and enzyme. A greener protocol for the synthesis of new 2-hydroxyacetamide derivatives containing a γ-lactone ring
Authors: Maleki Abbas , Nematollahi Davood , Rasouli Fereshteh , Zeinodini-Meimand Azam
Published: September 2015

Electrochemical synthesis of novel 2-hydroxyacetamides was performed in a one-pot protocol including the oxygen activation, extradiol cleavage, lactonization and amide bond formation sequence without any catalyst and enzyme.
Quantitative multiplexed simulated-cell identification by SERS in microfluidic devices
Authors: Hoonejani M. R. , Pallaoro A. , Braun G. B. , Moskovits M. , Meinhart C. D.
Published: September 2015

Here, we introduce a strategy for the identification of micron-sized particles functioning as cell proxies flowing in a microfluidic channel, based on their SERS spectral signatures.
An inorganic capping strategy for the seeded growth of versatile bimetallic nanostructures
Authors: Pei Yuchen , Maligal-Ganesh Raghu V. , Xiao Chaoxian , Goh Tian-Wei , Brashler Kyle , Gustafson Jeffrey A. , Huang Wenyu
Published: September 2015

An “inorganic capping shell” is used in the synthesis of versatile bimetallic nanoparticles from mesoporous silica-coated Pt or Pd seeds.
Understanding and optimising the packing density of perylene bisimide layers on CVD-grown graphene
Authors: Berner Nina C. , Winters Sinéad , Backes Claudia , Yim Chanyoung , Dümbgen Kim C. , Kaminska Izabela , Mackowski Sebastian , Cafolla Attilio A. , Hirsch Andreas , Duesberg Georg S.
Published: September 2015

We observe and characterise contamination-related differences in the packing density of wet-chemically deposited perylene bisimide derivatives on CVD graphene.
Fabrication of stretchable, flexible conductive thermoplastic polyurethane/graphene composites via foaming
Authors: Chen Yuejuan , Li Yang , Xu Donghua , Zhai Wentao
Published: September 2015

The introduction of cellular structures into TPU/graphene composites helps to improve their elasticity, making them much more suitable in the fields of novel electronics associated with stretchable smart sensors.
Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead borates
Authors: Li Danni , Jing Qun , Lei Chen , Pan Shilie , Zhang Bingbing , Yang Zhihua
Published: September 2015

Metal lone pairs play an important role in determining the SHG enhancement and bandgap red shift.
Atomic structure of icosahedral quasicrystals: stacking multiple quasi-unit cells
Authors: Madison Alexey E.
Published: September 2015

An effective tiling approach is proposed for the structural description of icosahedral quasicrystals based on the original substitution algorithm.
On the mechanical stability of uranyl peroxide hydrates: implications for nuclear fuel degradation
Authors: Weck Philippe F. , Kim Eunja , Buck Edgar C.
Published: September 2015

The mechanical properties and stability of studtite, (UO2)(O2)(H2O)2·2H2O, and metastudtite, (UO2)(O2)(H2O)2, were investigated using density functional perturbation theory.
Unanticipated favoured adsorption affinity of Th(iv) ions towards bidentate carboxylate functionalized carbon nanotubes (CNT–COOH) over tridentate diglycolamic acid functionalized CNT: density functional theoretical investigation
Authors: Deb A. K. Singha , Ali Sk. M. , Shenoy K. T.
Published: September 2015

CNT–COOH has higher adsorption affinity for Th4+ in aqueous solution compared to CNT–DGA, whereas pristine CNT has nil.
Anti-HIV terpenoids from Daphne aurantiaca Diels. stems
Authors: Huang Sheng-Zhuo , Zhang Xuan , Ma Qing-Yun , Zheng Yong-Tang , Dai Hao-Fu , Wang Qi , Zhou Jun , Zhao You-Xing
Published: September 2015

Thirteen new sesquiterpenoids were isolated from the stems of Daphne aurantiaca diels. Some compounds showed definite anti-HIV activities.
Synthesis of thin film AuPd alloys and their investigation for electrocatalytic CO2reduction
Authors: Hahn Christopher , Abram David N. , Hansen Heine A. , Hatsukade Toru , Jackson Ariel , Johnson Natalie C. , Hellstern Thomas R. , Kuhl Kendra P. , Cave Etosha R. , Feaster Jeremy T. , Jaramillo Thomas F.
Published: September 2015

Alloying of Au and Pd leads to new synergistic catalytic effects, providing insights into electrocatalytic CO2reduction on alloy surfaces.
Evaluation of mechanical properties of Na2S–P2S5 sulfide glass electrolytes
Authors: Nose Masashi , Kato Atsutaka , Sakuda Atsushi , Hayashi Akitoshi , Tatsumisago Masahiro
Published: September 2015

A sulfide glass electrolyte of 75Na2S·25P2S5 (mol%) has good formability at room temperature.
Synthesis of efficient photocatalysts for water oxidation and dye degradation reactions using CoCl2 eutectics
Authors: Fettkenhauer Christian , Wang Xinchen , Kailasam Kamalakannan , Antonietti Markus , Dontsova Dariya
Published: September 2015

Dyadic cobalt oxide-containing carbon nitride-based composite photocatalysts that are highly active in Rhodamine B degradation and water oxidation reactions were prepared by easy one-step thermal condensation of dicyandiamide in CoCl2 salt melts.
Supermolecular theranostic capsules for pH-sensitive magnetic resonance imaging and multi-responsive drug delivery
Authors: Zheng Di-Wei , Lei Qi , Chen Si , Qiu Wen-Xiu , Liu Meng-Yi , Chen Xian , Ding Yu-Xue , Li Peng-Hui , Zhang Quan-Yuan , Xu Zu-Shun , Zhang Xian-Zheng , Chu Paul K.
Published: September 2015

Novel layer by layer (LBL) microcapsules for macromolecular drug delivery and pH-sensitive MR imaging were designed and tested both in vitro and in vivo.
Dynamic microvesicle release and clearance within the cardiovascular system: triggers and mechanisms
Authors: Ayers Lisa , Nieuwland Rienk , Kohler Malcolm , Kraenkel Nicolle , Ferry Berne , Leeson Paul
Published: September 2015

Interest in cell-derived microvesicles (or microparticles) within cardiovascular diagnostics and therapeutics is rapidly growing. Microvesicles are often measured in the circulation at a single time point. However, it is becoming clear that microvesicle levels both increase and decrease rapidly in response to certain stimuli such as hypoxia, acute cardiac stress, shear stress, hypertriglyceridaemia and inflammation. Consequently, the levels of circulating microvesicles will reflect the balance between dynamic mechanisms for release and clearance. The present review describes the range of triggers currently known to lead to microvesicle release from different cellular origins into the circulation. Specifically, the published data are used to summarize the dynamic impact of these triggers on the degree and rate of microvesicle release. Secondly, a summary of the current understanding of microvesicle clearance via different cellular systems, including the endothelial cell and macrophage, is presented, based on reported studies of clearance in experimental models and clinical scenarios, such as transfusion or cardiac stress. Together, this information can be used to provide insights into potential underlying biological mechanisms that might explain the increases or decreases in circulating microvesicle levels that have been reported and help to design future clinical studies.
Brown adipose tissue: a potential target in the fight against obesity and the metabolic syndrome
Authors: Poekes Laurence , Lanthier Nicolas , Leclercq Isabelle A.
Published: September 2015

BAT (brown adipose tissue) is the main site of thermogenesis in mammals. It is essential to ensure thermoregulation in newborns. It is also found in (some) adult humans. Its capacity to oxidize fatty acids and glucose without ATP production contributes to energy expenditure and glucose homoeostasis. Brown fat activation has thus emerged as an attractive therapeutic target for the treatment of obesity and the metabolic syndrome. In the present review, we integrate the recent advances on the metabolic role of BAT and its relation with other tissues as well as its potential contribution to fighting obesity and the metabolic syndrome.
Remote health monitoring system for detecting cardiac disorders
Authors: Bansal Ayush , Kumar Sunil , Bajpai Anurag , Tiwari Vijay N. , Nayak Mithun , Venkatesan Shankar , Narayanan Rangavittal
Published: September 2015

Remote health monitoring system with clinical decision support system as a key component could potentially quicken the response of medical specialists to critical health emergencies experienced by their patients. A monitoring system, specifically designed for cardiac care with electrocardiogram (ECG) signal analysis as the core diagnostic technique, could play a vital role in early detection of a wide range of cardiac ailments, from a simple arrhythmia to life threatening conditions such as myocardial infarction. The system that the authors have developed consists of three major components, namely, (a) mobile gateway, deployed on patient's mobile device, that receives 12‐lead ECG signals from any ECG sensor, (b) remote server component that hosts algorithms for accurate annotation and analysis of the ECG signal and (c) point of care device of the doctor to receive a diagnostic report from the server based on the analysis of ECG signals. In the present study, their focus has been toward developing a system capable of detecting critical cardiac events well in advance using an advanced remote monitoring system. A system of this kind is expected to have applications ranging from tracking wellness/fitness to detection of symptoms leading to fatal cardiac events.
The Role of Iodine and Selenium in Autoimmune
Thyroiditis
Authors: Duntas L. H.
Published: September 2015

Iodine and selenium (Se) are both essential elements to thyroid hormone
economy, while they represent key players in the development of autoimmune
thyroiditis.

Chronic high iodine intake has been associated in various studies with
increased frequency of autoimmune thyroiditis. In susceptible individuals,
iodine excess increases intra-thyroid infiltrating Th17 cells and inhibits T
regulatory (TREG) cells development, while it triggers an abnormal
expression of tumor necrosis factor-related apoptosis-inducing ligand
(TRAIL) in thyrocytes, thus inducing apoptosis and parenchymal destruction.
As was shown in a mouse model, high iodine supply leads to changes in the
immunogenicity of the thyroglobulin molecule, upregulation of vascular
intercellular adhesion molecule-1 (ICAM-1), and reactive oxygen species
(ROS) generation in the thyrocytes. Serum Se levels were found decreased in
Hashimoto thyroiditis and especially in Graves’ disease as well as in
thyroid-associated ophthalmopathy patients, the levels being related to the
pathogenesis and outcome. Selenium is strongly involved, via the variable
selenoproteins, in antioxidant, redox, and anti-inflammatory processes.
Selenium enhances CD4+/CD25 FOXP3 and T regulatory cells activity while
suppressing cytokine secretion, thus preventing apoptosis of the follicular
cells and providing protection from thyroiditis. Selenium supplementation
may be useful in autoimmune thyroid diseases, though, while usually
well-tolerated, it should not be universally recommended, and it is also
likely to be helpful for those with low Se status and autoimmunity. Broadly
speaking, the achievement and maintenance of “selenostasis” as well as
adequate urinary iodine excretion are mandatory to control disease, while,
putatively, they may additionally be critical to preventing disease.
Invited Article: A novel calibration method for the JET real-time far infrared polarimeter and integration of polarimetry-based line-integrated density measurements for machine protection of a fusion plant
Authors: Boboc A. , Bieg B. , Felton R. , Dalley S. , Kravtsov Yu.
Published: September 2015

In this paper, we present the work in the implementation of a new calibration for the JET real-time polarimeter based on the complex amplitude ratio technique and a new self-validation mechanism of data. This allowed easy integration of the polarimetry measurements into the JET plasma density control (gas feedback control) and as well as machine protection systems (neutral beam injection heating safety interlocks). The new addition was used successfully during 2014 JET Campaign and is envisaged that will operate routinely from 2015 campaign onwards in any plasma condition (including ITER relevant scenarios). This mode of operation elevated the importance of the polarimetry as a diagnostic tool in the view of future fusion experiments.
Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin
Authors: Soloviov Maksym , Meuwly Markus
Published: September 2015

Multidimensional potential energy surfaces based on reproducing kernel-interpolation are employed to explore the energetics and dynamics of free and bound nitric oxide in myoglobin (Mb). Combining a force field description for the majority of degrees of freedom and the higher-accuracy representation for the NO ligand and the Fe out-of-plane motion allows for a simulation approach akin to a mixed quantum mechanics/molecular mechanics treatment. However, the kernel-representation can be evaluated at conventional force-field speed. With the explicit inclusion of the Fe-out-of-plane (Fe-oop) coordinate, the dynamics and structural equilibrium after photodissociation of the ligand are correctly described compared to experiment. Experimentally, the Fe-oop coordinate plays an important role for the ligand dynamics. This is also found here where the isomerization dynamics between the Fe–ON and Fe–NO state is significantly affected whether or not this co-ordinate is explicitly included. Although the Fe–ON conformation is metastable when considering only the bound 2A state, it may disappear once the 4A state is included. This explains the absence of the Fe–ON state in previous experimental investigations of MbNO.
A study of Kramers’ turnover theory in the presence of exponential memory friction
Authors: Ianconescu Reuven , Pollak Eli
Published: September 2015

Originally, the challenge of solving Kramers’ turnover theory was limited to Ohmic friction, or equivalently, motion of the escaping particle governed by a Langevin equation. Mel’nikov and Meshkov [J. Chem. Phys. 85, 1018 (1986)] (MM) presented a solution valid for Ohmic friction. The turnover theory was derived more generally and for memory friction by Pollak, Grabert, and Hänggi [J. Chem. Phys. 91, 4073 (1989)] (PGH). Mel’nikov proceeded to also provide finite barrier corrections to his theory [Phys. Rev. E 48, 3271 (1993)]. Finite barrier corrections were derived only recently within the framework of PGH theory [E. Pollak and R. Ianconescu, J. Chem. Phys. 140, 154108 (2014)]. A comprehensive comparison between MM and PGH theories including finite barrier corrections and using Ohmic friction showed that the two methods gave quantitatively similar results and were in quantitative agreement with numerical simulation data. In the present paper, we extend the study of the turnover theories to exponential memory friction. By comparing with numerical simulation, we find that PGH theory is rather accurate, even in the strong friction long memory time limit, while MM theory fails. However, inclusion of finite barrier corrections to PGH theory leads to failure in this limit. The long memory time invalidates the fundamental assumption that consecutive traversals of the well are independent of each other. Why PGH theory without finite barrier corrections remains accurate is a puzzle.
Precise equilibrium structure determination of hydrazoic acid (HN3) by millimeter-wave spectroscopy
Authors: Amberger Brent K. , Esselman Brian J. , Stanton John F. , Woods R. Claude , McMahon Robert J.
Published: September 2015

The millimeter-wave spectrum of hydrazoic acid (HN3) was analyzed in the frequency region of 235-450 GHz. Transitions from a total of 14 isotopologues were observed and fit using the A-reduced or S-reduced Hamiltonian. Coupled-cluster calculations were performed to obtain a theoretical geometry, as well as rotation-vibration interaction corrections. These calculated vibration-rotation correction terms were applied to the experimental rotational constants to obtain mixed theoretical/experimental equilibrium rotational constants (Ae, Be, and Ce). These equilibrium rotational constants were then used to obtain an equilibrium (Re) structure using a least-squares fitting routine. The Re structural parameters are consistent with a previously published Rs structure, largely falling within the uncertainty limits of that Rs structure. The present Re geometric parameters of HN3 are determined with exceptionally high accuracy, as a consequence of the large number of isotopologues measured experimentally and the sophisticated (coupled-cluster theoretical treatment (CCSD(T))/ANO2) of the vibration-rotation interactions. The Re structure exhibits remarkable agreement with the CCSD(T)/cc-pCV5Z predicted structure, validating both the accuracy of the ab initio method and the claimed uncertainties of the theoretical/experimental structure determination.
Aerodynamic levitator for large-sized glassy material production
Authors: Yoda Shinichi , Cho Won-Seung , Imai Ryoji
Published: September 2015

Containerless aerodynamic levitation processing is a unique technology for the fabrication of bulk non-crystalline materials. Using conventional aerodynamic levitation, a high reflective index (RI) material (BaTi2O5 and LaO3/2–TiO2–ZrO2 system) was developed with a RI greater than approximately 2.2, which is similar to that of diamond. However, the glass size was small, approximately 3 mm in diameter. Therefore, it is essential to produce large sized materials for future optical materials applications, such as camera lenses. In this study, a new aerodynamic levitator was designed to produce non-crystalline materials with diameters larger than 6 mm. The concept of this new levitator was to set up a reduced pressure at the top of the molten samples without generating turbulent flow. A numerical simulation was also performed to verify the concept.
A projection-free method for representing plane-wave DFT results in an atom-centered basis
Authors: Dunnington Benjamin D. , Schmidt J. R.
Published: September 2015

Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.
Fabrication of an aluminum-porous alumina sensor by in situ monitoring anodization of thin aluminum films
Authors: Tassis George , Christoulaki Anastasia , Spiliopoulos Nikolaos , Anastassopoulos Dimitrios L. , Vradis Alexandros A. , Mytilineou Eugenia
Published: September 2015

The aim of the present work is to optimize a well-known plasmon-based aluminum/porous anodic alumina sensor. This kind of sensors is produced by partial electrochemical anodization of an aluminum film, while the remaining, non-anodized metallic film is used for supporting the propagation of surface plasmons. The anodized porous alumina is preferable against a flat solid surface as it presents much larger sensing area and thus enhanced detecting efficiency. In this work, a novel method for controlling the remaining aluminum film thickness is reported, based on a simple optical reflectance measurement during the electrochemical anodization of the initial metallic film.