bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation of fill factor losses on 20.2% efficient n‐type mono‐like silicon solar cells with laser contact opening
Authors: Frey Alexander , Engelhardt Josh , Micard Gabriel , Hahn Giso , Terheiden Barbara
Published: November 2015

Large area (243.36 cm2) back‐junction passivated emitter, rear totally diffused (PERT) solar cells with laser contact opening (LCO) on n‐type mono‐like crystalline Si with efficiencies of 20.2% are presented. Boron emitters with high electrical quality (implied open circuit voltage iVOC up to 700 mV) are formed during a co‐diffusion step using SiOx:B layers. Increasing the rear metal contact coverage, we observed a decrease in fill factor (FF) instead of the expected increase due to the decrease of the back side series resistance. We show that it can be attributed to recombination centers (RCs) in the space charge region underneath the contact spots inducing an increasing second diode contribution. The presented empirical model for the RCs implemented in Synopsys Sentaurus TCAD allows for a successful reproduction of the FF, pseudo FF and VOC behaviour with contact coverage. According to this model, the RCs induced by laser ablation and subsequently evaporation of Al have a shallow exponential distribution with a characteristic length of LT = 0.2 µm and an effective surface density of N *T0 = 25 cm–1. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
A model for analyzing performance problems and root causes in the personal software process
Authors: Raza M. , Faria J. P.
Published: November 2015

High‐maturity software development processes, such as the Team Software Process and the accompanying Personal Software Process (PSP), can generate significant amounts of data that can be periodically analyzed to identify performance problems, determine their root causes, and devise improvement actions. However, there is a lack of tool support for automating that type of analysis, and hence diminish the manual effort and expert knowledge required. So, we propose in this paper a comprehensive performance model, addressing time estimation accuracy, quality, and productivity, to enable the automated (tool based) analysis of performance data produced by PSP developers, namely, identify and rank performance problems and their root causes. A PSP data set referring to more than 30 000 projects was used to validate and calibrate the model. Copyright © 2015 John Wiley & Sons, Ltd.
Modeling Study of Slag Emulsification During Ladle Change‐Over Using a Dissipative Ladle Shroud
Authors: Garcia‐Hernandez Saul , D. Morales Rodolfo , de Jesus Barreto Jose , Calderon‐Ramos Ismael , Gutierrez Enif
Published: November 2015

The aim research work is to study a new ladle shroud concept and design to assist in the reduction of slag emulsification in the tundish during ladle change‐over operations. For this, a tundish analogue water model is designed and constructed based on Froude similarity criterion; a deeper analysis of the flow behavior is undertaken by mathematical simulation. Tap water and silicon oil are employed to simulate molten steel and slag. The modeling results show that using a conventional ladle shroud, the water is delivered with an excessive amount of turbulent kinetic energy which is dissipated inside the tundish bath, generating strong mixing flow patterns and entrapping a massive amount of oil. Furthermore, during this transient operation the conventional shroud induces oil dragging into the bath at zones next to the entry volume, producing continuous oil emulsification. In contrast, the proposed ladle shroud dissipates the turbulent kinetic energy before the water enters the tundish model, promoting less intense mixing patterns. Also, the dragging zone disappears; thus, the amount of oil emulsification is reduced significantly. Consequently, if the turbulent kinetic energy is dissipated before the steel enters the tundish, it will be possible to reduce the slag emulsification and the slag opening area.
Modeling plant–water interactions: an ecohydrological overview from the cell to the global scale
Authors: Fatichi Simone , Pappas Christoforos , Ivanov Valeriy Y.
Published: November 2015

Vegetation and the water cycles are inherently coupled across a wide range of spatial and temporal scales. Water availability interacts with plant ecophysiology and controls vegetation functioning. Concurrently, vegetation has direct and indirect effects on energy, water, carbon, and nutrient cycles. To better understand and model plant–water interactions, highly interdisciplinary approaches are required. We present an overview of the main processes and relevant interactions between water and plants across a range of spatial scales, from the cell level of leaves, where stomatal controls occur, to drought stress at the level of a single tree, to the integrating scales of a watershed, region, and the globe. A review of process representations in models at different scales is presented. More specifically, three main model families are identified: (1) models of plant hydraulics that mechanistically simulate stomatal controls and/or water transport at the tree level; (2) ecohydrological models that simulate plot‐ to catchment‐scale water, energy, and carbon fluxes; and (3) terrestrial biosphere models that simulate carbon, water, and nutrient dynamics at the regional and global scales and address feedback between Earth's vegetation and the climate system. We identify special features and similarities across the model families. Examples of where plant–water interactions are especially important and have led to key scientific findings are also highlighted. Finally, we discuss the various data sources that are currently available to force and validate existing models, and we present perspectives on the evolution of the field. WIREs Water 2016, 3:327–368. doi: 10.1002/wat2.1125

This article is categorized under:

Water and Life > Nature of Freshwater Ecosystems

Science of Water > Hydrological Processes
Culture-independent discovery of natural products from soil metagenomes
Authors: Katz Micah , Hover Bradley M , Brady Sean F
Published: November 2015

Bacterial natural products have proven to be invaluable starting points in the development of many currently used therapeutic agents. Unfortunately, traditional culture-based methods for natural product discovery have been deemphasized by pharmaceutical companies due in large part to high rediscovery rates. Culture-independent, or “metagenomic,” methods, which rely on the heterologous expression of DNA extracted directly from environmental samples (eDNA), have the potential to provide access to metabolites encoded by a large fraction of the earth’s microbial biosynthetic diversity. As soil is both ubiquitous and rich in bacterial diversity, it is an appealing starting point for culture-independent natural product discovery efforts. This review provides an overview of the history of soil metagenome-driven natural product discovery studies and elaborates on the recent development of new tools for sequence-based, high-throughput profiling of environmental samples used in discovering novel natural product biosynthetic gene clusters. We conclude with several examples of these new tools being employed to facilitate the recovery of novel secondary metabolite encoding gene clusters from soil metagenomes and the subsequent heterologous expression of these clusters to produce bioactive small molecules.
Anti-tuberculosis lead molecules from natural products targeting Mycobacterium tuberculosis ClpC1
Authors: Lee Hanki , Suh Joo-Won
Published: November 2015

Tuberculosis (TB) is a serious and potentially fatal disease caused by Mycobacterium tuberculosis (M. tb). The occurrence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) M. tb is a significant public health concern because most of the anti-TB drugs that have been in use for over 40 years are no longer effective for the treatment of these infections. Recently, new anti-TB lead compounds such as cyclomarin A, lassomycin, and ecumicin, which are cyclic peptides from actinomycetes, have shown potent anti-TB activity against MDR and XDR M. tb as well as drug-susceptible M. tb in vitro. The target molecule of these antibiotics is ClpC1, a protein that is essential for the growth of M. tb. In this review, we introduce the three anti-TB lead compounds as potential anti-TB therapeutic agents targeting ClpC1 and compare them with the existing anti-TB drugs approved by the US Food and Drug Administration.
Correlation between Physical Properties and Shear Adhesion Strength of Enzymatically Modified Soy Protein‐Based Adhesives
Authors: Kim Min Jung , Sun Xiuzhi Susan
Published: November 2015

This work was to correlate physical properties with adhesion properties of soy protein‐based adhesives. By building such a correlation, the adhesion properties can be predicted by measuring physical properties of soy protein‐based adhesives. In this context, three important physical properties, viscosity, tacky force, and water resistance, were selected to correlate with adhesion strength of enzymatically modified soy protein‐based adhesives (ESP). Response surface methodology, specifically central composite design, was used with three independent variables to prepare ESP: trypsin concentration (X1), incubation time (X2), and glutaraldehyde (GA) concentration (X3). The three physical properties measured were all greatly affected by our three independent variables with significance at the 95 % confidence level. The responses were then correlated with the adhesion properties of ESP. In conclusion, viscosity can be used to predict the dry adhesion strength of ESP based on the coefficient of determination (R2) of 0.8558. In addition, tacky force and water resistance can be used to represent wet adhesion strength of ESP based on R2 of 0.7082 and 0.6930, respectively (P < 0.05). This work preliminarily identified the significant physical properties that can predict the adhesion strength of the ESP system crosslinked with GA, but the results need to be further confirmed by another protein modification system to give a generic conclusion.
Mir‐302c mediates influenza A virus‐induced IFNβ expression by targeting NF‐κB inducing kinase
Authors: Gui Shulin , Chen Xueyuan , Zhang Mo , Zhao Fanpeng , Wan Yushun , Wang Li , Xu Gang , Zhou Li , Yue Xin , Zhu Ying , Liu Shi
Published: November 2015

Little is known about the role of microRNA during influenza A virus (IAV) infection. We observed that NIK 3′UTR luciferase activity was elevated during IAV infection. Further studies demonstrated that miR‐302c reduced NIK expression, resulting in the reduction of IFNβ mRNA expression. We found that miR‐302c prevented the translocation of NF‐κB from the cytosol to the nucleus. Furthermore, IAV infection downregulated miR‐302c expression, leading to the activation of IFNβ expression and the inhibition of viral replication. Compared to miR‐302c, miR‐520e cannot promote viral replication and production, although the two microRNAs target the same site of the NIK 3′UTR. Collectively, our work defines a novel signaling pathway implicated in the control of IFNβ mRNA expression during IAV infection.
Leucine‐rich repeat 2 of human Toll‐like receptor 4 contains the binding site for inhibitory monoclonal antibodies
Authors: Tsukamoto Hiroki , Ukai Ippo , Yamagata Yuki , Takeuchi Shino , Kubota Kanae , Kozakai Sao , Suzuki Naoto , Kimoto Masao , Tomioka Yoshihisa
Published: November 2015

Excessive activation of Toll‐like receptor 4 (TLR4)/MD‐2 by lipopolysaccharide (LPS) causes septic shock. We previously produced an inhibitory antibody, HT52, against LPS‐induced human TLR4 activation independently of LPS binding of MD‐2. Consistent with the hypothesis that HT52 recognizes the epitopes inherent to inhibitory antibodies, we generated an HT52‐crossblockable antibody and revealed the relationship between its inhibitory activity and the anti‐TLR4 antibody epitope. Leucine‐rich repeat 2 was identified as an inhibitory epitope, and Phe75, Ser76and Pro79as antigenic determinants. These findings provide a way to design therapeutic antibodies targeted to TLR4 that are distinct from LPS analog antagonists targeting MD‐2.
Where you say it matters: Why packages are a more believable source of product claims than advertisements
Authors: Fajardo Tatiana M. , Townsend Claudia
Published: November 2015

This research demonstrates that a marketing claim placed on a package is more believable than a marketing claim placed in an advertisement. In three studies, we show that the benefit of greater believability for packages is driven by perceptions of proximity. In general, consumers perceive packages, and thus the claims they offer, as closer to the product than ads and their respective claims. This perception of greater claim‐to‐product proximity is likely to make a claim seem more verifiable. Therefore, claim‐to‐product proximity is taken as a signal of the marketers' credibility, decreasing inferences of manipulative intent and thereby increasing claim believability and purchase likelihood.
Hepatitis B virus stimulates G6PD expression through HBx-mediated Nrf2 activation
Authors: Liu B , Fang M , He Z , Cui D , Jia S , Lin X , Xu X , Zhou T , Liu W
Published: November 2015

Metabolic reprogramming is a hallmark of physiological changes in cancer. Cancer cells primarily apply glycolysis for cell metabolism, which enables the cells to use glycolytic intermediates for macromolecular biosynthesis in order to meet the needs of cell proliferation. Here, we show that glucose-6-phosphate dehydrogenase (G6PD), the first and rate-limiting enzyme of the pentose phosphate pathway, is highly expressed in chronic hepatitis B virus (HBV)-infected human liver and HBV-associated liver cancer, together with an elevated activity of the transcription factor Nrf2. In hepatocytes, HBV stimulates by its X protein (HBx) the expression of G6PD in an Nrf2 activation-dependent pathway. HBx associates with the UBA and PB1 domains of the adaptor protein p62 and augments the interaction between p62 and the Nrf2 repressor Keap1 to form HBx–p62–Keap1 complex in the cytoplasm. The aggregation of HBx–p62–Keap1 complexes hijacks Keap1 from Nrf2 leading to the activation of Nrf2 and consequently G6PD transcription. Our data suggest that HBV upregulates G6PD expression by HBx-mediated activation of Nrf2. This implies a potential effect of HBV on the reprogramming of the glucose metabolism in hepatocytes, which may be of importance in the development of HBV-associated hepatocarcinoma.
Palmitate induces ER calcium depletion and apoptosis in mouse podocytes subsequent to mitochondrial oxidative stress
Authors: Xu S , Nam S M , Kim J-H , Das R , Choi S-K , Nguyen T T , Quan X , Choi S J , Chung C H , Lee E Y , Lee I-K , Wiederkehr A , Wollheim C B , Cha S-K , Park K-S
Published: November 2015

Pathologic alterations in podocytes lead to failure of an essential component of the glomerular filtration barrier and proteinuria in chronic kidney diseases. Elevated levels of saturated free fatty acid (FFA) are harmful to various tissues, implemented in the progression of diabetes and its complications such as proteinuria in diabetic nephropathy. Here, we investigated the molecular mechanism of palmitate cytotoxicity in cultured mouse podocytes. Incubation with palmitate dose-dependently increased cytosolic and mitochondrial reactive oxygen species, depolarized the mitochondrial membrane potential, impaired ATP synthesis and elicited apoptotic cell death. Palmitate not only evoked mitochondrial fragmentation but also caused marked dilation of the endoplasmic reticulum (ER). Consistently, palmitate upregulated ER stress proteins, oligomerized stromal interaction molecule 1 (STIM1) in the subplasmalemmal ER membrane, abolished the cyclopiazonic acid-induced cytosolic Ca2+ increase due to depletion of luminal ER Ca2+. Palmitate-induced ER Ca2+ depletion and cytotoxicity were blocked by a selective inhibitor of the fatty-acid transporter FAT/CD36. Loss of the ER Ca2+ pool induced by palmitate was reverted by the phospholipase C (PLC) inhibitor edelfosine. Palmitate-dependent activation of PLC was further demonstrated by following cytosolic translocation of the pleckstrin homology domain of PLC in palmitate-treated podocytes. An inhibitor of diacylglycerol (DAG) kinase, which elevates cytosolic DAG, strongly promoted ER Ca2+ depletion by low-dose palmitate. GF109203X, a PKC inhibitor, partially prevented palmitate-induced ER Ca2+ loss. Remarkably, the mitochondrial antioxidant mitoTEMPO inhibited palmitate-induced PLC activation, ER Ca2+ depletion and cytotoxicity. Palmitate elicited cytoskeletal changes in podocytes and increased albumin permeability, which was also blocked by mitoTEMPO. These data suggest that oxidative stress caused by saturated FFA leads to mitochondrial dysfunction and ER Ca2+ depletion through FAT/CD36 and PLC signaling, possibly contributing to podocyte injury.
SUMOylation of TARBP2 regulates miRNA/siRNA efficiency
Authors: Chen Cheng , Zhu Changhong , Huang Jian , Zhao Xian , Deng Rong , Zhang Hailong , Dou Jinzhuo , Chen Qin , Xu Ming , Yuan Haihua , Wang Yanli , Yu Jianxiu
Published: November 2015

Small RNA-induced gene silencing is essential for post-transcriptional regulation of gene expression; however, it remains unclear how miRNA/siRNA efficiency is regulated. Here we show that TARBP2 is SUMOylated at K52, which can be enhanced by its phosphorylation. This modification can stabilize TARBP2 via repressing its K48-linked ubiquitination. We find that TARBP2 SUMOylation does not influence the overall production of mature miRNAs, but it regulates miRNA/siRNA efficiency. SUMOylated TARBP2 recruits Ago2 to constitute the RNA-induced silencing complex (RISC)-loading complex (RLC), and simultaneously promotes more pre-miRNAs to load into the RLC. Consequently, Ago2 is stabilized and miRNAs/siRNAs bound by TARBP2/Dicer is effectively transferred to Ago2. Thus, these processes lead to the formation of the effective RISC for RNA interference (RNAi). Collectively, our data suggest that SUMOylation of TARBP2 is required for regulating miRNA/siRNA efficiency, which is a general mechanism of miRNA/siRNA regulation.
Erratum: A deuterostome origin of the Spemann organiser suggested by Nodal and ADMPs functions in Echinoderms
Authors: Lapraz François , Haillot Emmanuel , Lepage Thierry
Published: November 2015

Nature Communications 6: Article number: 8434 (2015); Published 1 October 2015; Updated 19 November 2015 In Fig. 4 of this Article, the bootstrap value associated with the node that separates the two main ADMP clades was inadvertently omitted during the production process. The correct version of thefigure appears below.
Stable Lithium Argon compounds under high pressure
Authors: Li Xiaofeng , Hermann Andreas , Peng Feng , Lv Jian , Wang Yanchao , Wang Hui , Ma Yanming
Published: November 2015

High pressure can fundamentally alter the bonding patterns of chemical elements. Its effects include stimulating elements thought to be “inactive” to form unexpectedly stable compounds with unusual chemical and physical properties. Here, using an unbiased structure search method based on CALYPSO methodology and density functional total energy calculations, the phase stabilities and crystal structures of Li−Ar compounds are systematically investigated at high pressure up to 300 GPa. Two unexpected LimArncompounds (LiAr and Li3Ar) are predicted to be stable above 112 GPa and 119 GPa, respectively. A detailed analysis of the electronic structure of LiAr and Li3Ar shows that Ar in these compounds attracts electrons and thus behaves as an oxidizing agent. This is markedly different from the hitherto established chemical reactivity of Ar. Moreover, we predict that theP4/mmmphase of Li3Ar has a superconducting transition temperature of 17.6 K at 120 GPa.
Nutrient Loads Flowing into Coastal Waters from the Main Rivers of China (2006–2012)
Authors: Tong Yindong , Zhao Yue , Zhen Gengchong , Chi Jie , Liu Xianhua , Lu Yiren , Wang Xuejun , Yao Ruihua , Chen Junyue , Zhang Wei
Published: November 2015

Based on monthly monitoring data of unfiltered water, the nutrient discharges of the eight main rivers flowing into the coastal waters of China were calculated from 2006 to 2012. In 2012, the total load of NH3-N (calculated in nitrogen), total nitrogen (TN, calculated in nitrogen) and total phosphorus (TP, calculated in phosphorus) was 5.1 × 105, 3.1 × 106 and 2.8 × 105 tons, respectively, while in 2006, the nutrient load was 7.4 × 105, 2.2 × 106 and 1.6 × 105 tons, respectively. The nutrient loading from the eight major rivers into the coastal waters peaked in summer and autumn, probably due to the large water discharge in the wet season. The Yangtze River was the largest riverine nutrient source for the coastal waters, contributing 48% of the NH3-N discharges, 66% of the TN discharges and 84% of the TP discharges of the eight major rivers in 2012. The East China Sea received the majority of the nutrient discharges, i.e. 50% of NH3-N (2.7 × 105 tons), 70% of TN (2.2 × 106 tons) and 87% of TP (2.5 × 105 tons) in 2012. The riverine discharge of TN into the Yellow Sea and Bohai Sea was lower than that from the direct atmospheric deposition, while for the East China Sea, the riverine TN input was larger.
Intravenous multipotent adult progenitor cell treatment decreases inflammation leading to functional recovery following spinal cord injury
Authors: DePaul Marc A. , Palmer Marc , Lang Bradley T. , Cutrone Rochelle , Tran Amanda P. , Madalena Kathryn M. , Bogaerts Annelies , Hamilton Jason A. , Deans Robert J. , Mays Robert W. , Busch Sarah A. , Silver Jerry
Published: November 2015

Following spinal cord injury (SCI), immune-mediated secondary processes exacerbate the extent of permanent neurological deficits. We investigated the capacity of adult bone marrow-derived stem cells, which exhibit immunomodulatory properties, to alter inflammation and promote recovery following SCI. In vitro, we show that human multipotent adult progenitor cells (MAPCs) have the ability to modulate macrophage activation and prior exposure to MAPC secreted factors can reduce macrophage-mediated axonal dieback of dystrophic axons. Using a contusion model of SCI, we found that intravenous delivery of MAPCs one day, but not immediately, after SCI significantly improves urinary and locomotor recovery, which was associated with marked spinal cord tissue sparing. Intravenous MAPCs altered the immune response in the spinal cord and periphery, however biodistribution studies revealed that no MAPCs were found in the cord and instead preferentially homed to the spleen. Our results demonstrate that MAPCs exert their primary effects in the periphery and provide strong support for the use of these cells in acute human contusive SCI.
Growing magma chambers control the distribution of small-scale flood basalts
Authors: Yu Xun , Chen Li-Hui , Zeng Gang
Published: November 2015

Small-scale continental flood basalts are a global phenomenon characterized by regular spatio-temporal distributions. However, no genetic mechanism has been proposed to explain the visible but overlooked distribution patterns of these continental basaltic volcanism. Here we present a case study from eastern China, combining major and trace element analyses with Ar–Ar and K–Ar dating to show that the spatio-temporal distribution of small-scale flood basalts is controlled by the growth of long-lived magma chambers. Evolved basalts (SiO2 > 47.5 wt.%) from Xinchang–Shengzhou, a small-scale Cenozoic flood basalt field in Zhejiang province, eastern China, show a northward younging trend over the period 9.4–3.0 Ma. With northward migration, the magmas evolved only slightly ((Na2O + K2O)/MgO = 0.40–0.66; TiO2/MgO = 0.23–0.35) during about 6 Myr (9.4–3.3 Ma). When the flood basalts reached the northern end of the province, the magmas evolved rapidly (3.3–3.0 Ma) through a broad range of compositions ((Na2O + K2O)/MgO = 0.60–1.28; TiO2/MgO = 0.30–0.57). The distribution and two-stage compositional evolution of the migrating flood basalts record continuous magma replenishment that buffered against magmatic evolution and induced magma chamber growth. Our results demonstrate that the magma replenishment–magma chamber growth model explains the spatio-temporal distribution of small-scale flood basalts.
Direct and Convenient Mass Spectrometry Sampling with Ambient Flame Ionization
Authors: Liu Xiao-Pan , Wang Hao-Yang , Zhang Jun-Ting , Wu Meng-Xi , Qi Wan-Shu , Zhu Hui , Guo Yin-Long
Published: November 2015

Recent innovations in ambient ionization technology for the direct analysis of various samples in their native environment facilitate the development and applications of mass spectrometry in natural science. Presented here is a novel, convenient and flame-based ambient ionization method for mass spectrometric analysis of organic compounds, termed as the ambient flame ionization (AFI) ion source. The key features of AFI ion source were no requirement of (high) voltages, laser beams and spray gases, but just using small size of n-butane flame (height approximately 1 cm, about 500 oC) to accomplish the rapid desorption and ionization for direct analysis of gaseous-, liquid- and solid-phase organic compounds, as well as real-world samples. This method has high sensitivity with a limit of detection of 1 picogram for propyphenazone, which allows consuming trace amount of samples. Compared to previous ionization methods, this ion source device is extremely simple, maintain-free, low-cost, user–friendly so that even an ordinary lighter (with n-butane as fuel) can achieve efficient ionization. A new orientation to mass spectrometry ion source exploitation might emerge from such a convenient, easy and inexpensive AFI ion source.
Exotic stable cesium polynitrides at high pressure
Authors: Peng Feng , Han Yunxia , Liu Hanyu , Yao Yansun
Published: November 2015

New polynitrides containing metastable forms of nitrogen are actively investigated as potential high-energy-density materials. Using a structure search method based on the CALYPSO methodology, we investigated the stable stoichiometries and structures of cesium polynitrides at high pressures. Along with the CsN3, we identified five new stoichiometric compounds (Cs3N, Cs2N, CsN, CsN2 and CsN5) with interesting structures that may be experimentally synthesizable at modest pressures (i.e., less than 50 GPa). Nitrogen species in the predicted structures have various structural forms ranging from single atom (N) to highly endothermic molecules (N2, N3, N4, N5, N6) and chains (N∞). Polymeric chains of nitrogen were found in the high-pressure C2/c phase of CsN2. This structure contains a substantially high content of single N-N bonds that exceeds the previously known nitrogen chains in pure forms and also exhibit metastability at ambient conditions. We also identified a very interesting CsN crystal that contains novel N44− anion. To our best knowledge, this is the first time a charged N4 species being reported. Results of the present study suggest that it is possible to obtain energetic polynitrogens in main-group nitrides under high pressure.
The preferential accumulation of heavy metals in different tissues following frequent respiratory exposure to PM2.5 in rats
Authors: Li Qingzhao , Liu Huibin , Alattar Mohamed , Jiang Shoufang , Han Jing , Ma Yujiao , Jiang Chunyang
Published: November 2015

This study aimed to explore the pattern of accumulation of some of main heavy metals in blood and various organs of rats after exposed to the atmospheric fine particulate matter (PM2.5). Rats were randomly divided into control and three treatment groups (tracheal perfusion with 10 mg/kg, 20 mg/kg and 40 mg/kg of PM2.5 suspension liquid, respectively). Whole blood and the lung, liver, kidney and cerebral cortex were harvested after rats were treated and sacrificed. The used heavy metals were detected using inductively coupled plasma-mass spectrometry (ICP-MS) instrument. As results, Lead was increased in the liver, lung and cerebral cortex and the level of manganese was significantly elevated in the liver and cerebral cortex in PM2.5 treated rats. Besides, arsenic was prominently enriched both in cerebral cortex and in blood and so did the aluminum in the cerebral cortex and the copper in the liver. However, cadmium, chromium and nickel have shown no difference between the control group and the three PM2.5 treated groups. Following the exposure of PM2.5, different heavy metals are preferentially accumulated in different body tissues.
Cep55 regulates spindle organization and cell cycle progression in meiotic oocyte
Authors: Xu Zhao-Yang , Ma Xue-Shan , Qi Shu-Tao , Wang Zhen-Bo , Guo Lei , Schatten Heide , Sun Qing-Yuan , Sun Ying-Pu
Published: November 2015

Cep55 is a relatively novel member of the centrosomal protein family. Here, we show that Cep55 is expressed in mouse oocytes from the germinal vesicle (GV) to metaphase II (MII) stages. Immuostaining and confocal microscopy as well as time lapse live imaging after injection of mRNA encoding fusion protein of Cep55 and GFP identified that Cep55 was localized to the meiotic spindle, especially to the spindle poles at metaphase, while it was concentrated at the midbody in telophase in meiotic oocytes. Knockdown of Cep55 by specific siRNA injection caused the dissociation of γ-tubulin from the spindle poles, resulting in severely defective spindles and misaligned chromosomes, leading to metaphase I arrest and failure of first polar body (PB1) extrusion. Correspondingly, cyclin B accumulation and spindle assembly checkpoint (SAC) activation were observed in Cep55 knockdown oocytes. Our results suggest that Cep55 may act as an MTOC-associated protein regulating spindle organization and thus cell cycle progression during mouse oocyte meiotic maturation.
A rapid genomic DNA extraction method and its combination with helicase dependent amplification for the detection of genetically modified maize
Authors: Garcia Eric Gonzalez , Farnleitner Andreas H. , Mach Robert L. , Krska Rudolf , Brunner Kurt
Published: November 2015

A simple, solvent-free extraction method for DNA facilitates the analysis for genetically modified organisms.
A new simple UV-Vis spectrophotometric method for determination of sulfite species in vegetables and dried fruits using a preconcentration process
Authors: Altunay Nail , Gürkan Ramazan
Published: November 2015

Ultrasonic assisted CPE was used for the preconcentration of sulfite. The effect of foreign ions which may be present in actual samples was investigated. The method was applied to the quantification of sulfite in vegetables and dried fruits. The analytical variables affecting UA-CPE efficiency were optimized. The enrichment factor 95 was obtained.
Photoassisted oxidation of ruthenium(ii)-photocatalysts Ru(bpy)32+ and Ru(bpz)32+ to RuO4: orthogonal tandem photoredox and oxidation catalysis
Authors: Alpers Dirk , Gallhof Malte , Stark Christian B. W. , Brasholz Malte
Published: November 2015

Photoredox catalysts Ru(bpy)32+ and Ru(bpz)32+ are rapidly converted into RuO4 through continuous visible light irradiation in the presence of NaIO4. Tandem photoredox/oxidation catalysis protocols were developed.
A homochiral vanadium–salen based cadmium bpdc MOF with permanent porosity as an asymmetric catalyst in solvent-free cyanosilylation
Authors: Bhunia Asamanjoy , Dey Subarna , Moreno José María , Diaz Urbano , Concepcion Patricia , Van Hecke Kristof , Janiak Christoph , Van Der Voort Pascal
Published: November 2015

This chiral framework shows the highest H2 adsorption and CO2 capacity for currently known salen-based MOFs and shows an excellent performance as an asymmetric catalyst in solvent-free cyanosilylation.
Delayed luminescence induced by complex domains in water and in TEOS aqueous solutions
Authors: Colleoni C. , Esposito S. , Grasso R. , Gulino M. , Musumeci F. , Romeli D. , Rosace G. , Salesi G. , Scordino A.
Published: November 2015

Many recent studies on water have conjectured a complex structure composed of hydrogen bonded low- and high-density domains.
Inter-tube adhesion mediates a new pearling mechanism
Authors: Yue Tongtao , Tian Falin , Sun Mingbin , Zhang Xianren , Huang Fang
Published: November 2015

A common mechanism for intracellular transport is the controlled shape transformation, also known as pearling, of membrane tubes.
Role of RuO2(100) in surface oxidation and CO oxidation catalysis on Ru(0001)
Authors: Flege Jan Ingo , Lachnitt Jan , Mazur Daniel , Sutter Peter , Falta Jens
Published: November 2015

Oxidation of Ru(0001) induces the simultaneous formation of RuO2(100) and RuO2(110) and a structure-sensitive oxygen spillover during CO oxidation.
The effect of the metal fragment on the aromaticity and synchronicity of the gold(i)-catalysed divinylcyclopropane–cycloheptadiene rearrangement
Authors: Sosa Carrizo E. Daiann , Fernández Israel
Published: November 2015

The gold(i)-catalysed divinylcyclopropane–cycloheptadiene rearrangement has been studied computationally within the Density Functional Theory framework.
Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2′-pyridyl)pyrazole mixed ligands
Authors: Chen Jing-Lin , Guo Zong-Hao , Yu Hua-Guang , He Li-Hua , Liu Sui-Jun , Wen He-Rui , Wang Jin-Yun
Published: November 2015

The luminescence properties of 3-(2′-pyridyl)pyrazole-based dinuclear Cu(i) complexes can be well modulated by altering the substituent on the pyrazolyl ring.
Replacing Pd(OAc)2 with supported palladium nanoparticles in ortho-directed CDC reactions of alkylbenzenes
Authors: Bao Yong-Sheng , Zhang Dongling , Jia Meilin , Zhaorigetu Bao
Published: November 2015

Supported palladium nanoparticles are used as efficient catalysts for the synthesis of aromatic ketones via cross dehydrogenative coupling reactions of 2-arylpyridines with alkylbenzenes.
Bioorthogonal metabolic labelling with acyl-CoA reporters: targeting protein acylation
Authors: Ourailidou Maria. E. , Zwinderman Martijn R. H. , Dekker Frank J.
Published: November 2015

Bioorthogonal labels in protein acylation: advantages and disadvantages of metaBO(W)lic tagging with acyl-CoA(RROWS).
Systematic assessment of analog relationships between bioactive compounds and promiscuity of analog sets
Authors: Dimova Dilyana , Stumpfe Dagmar , Bajorath Jürgen
Published: November 2015

Compound–analog relationships. Shown is an active compound with four substitution sites, two of which are explored with four and seven different R-groups, respectively.
Probing for improved selectivity with dipeptide-derived inhibitors of dipeptidyl peptidases 8 and 9: the impact of P1-variation
Authors: Heirbaut Leen , van Goethem Sebastiaan , Jansen Koen , de Winter Hans , Lamoen Nicole , Joossens Jurgen , Cheng Jonathan , Chen Xin , Lambeir Anne-Marie , de Meester Ingrid , Augustyns Koen , van der Veken Pieter
Published: November 2015

The influence of P1-variation on DPP8/9 inhibitor selectivity is investigated.
TCM, brain function and drug space
Authors: Tang Chunping , Ye Yang , Feng Yunjiang , Quinn Ronald J.
Published: November 2015

This article reviews 84 major bioactive compounds from 15 selected traditional Chinese medicines targeting neurodegenerative diseases. The physicochemical property comparison of these TCM compounds and current drugs and candidates for the treatment of Parkinson's and Alzheimer's disease are analysed.
Dual-responsive vesicles formed by an amphiphile containing two tetrathiafulvalene units in aqueous solution
Authors: Wang Xiao-Jun , Xing Ling-Bao , Chen Bin , Quan Ying , Tung Chen-Ho , Wu Li-Zhu
Published: November 2015

The first example of tetrathiafulvalene (TTF)-based vesicle fabricated in water solution with 1 vol.% tetrahydrofuran that could be prevented by chemical oxidant Fe(ClO4)3 or electron-deficient cyclobis(paraquat-p-phenylene) tetracation cyclophane (CBPQT4+) is described.
Mechanistic insight into phase transfer agent assisted ultrasonic desulfurization
Authors: Bhasarkar Jaykumar B. , Singh Mohit , Moholkar Vijayanand S.
Published: November 2015

This paper attempts to gain physical insight into the phase transfer agent (PTA) assisted ultrasonic oxidative desulfurization process.
Investigating oxalate biosynthesis in the wood-decaying fungus Gloeophyllum trabeum using 13C metabolic flux analysis
Authors: Zhuang Liangpeng , Guo Weihua , Yoshida Makoto , Feng Xueyang , Goodell Barry
Published: November 2015

Oxalate synthesis was rigorously investigated in a wood-decaying fungus, Gloeophyllum trabeum, using 13C metabolic flux analysis, a method not previously explored in this type of system.
Right-handed 2/1 helical arrangement of benzene molecules in cholic acid crystal established by experimental and theoretical circular dichroism spectroscopy
Authors: Wang Heng , Pietropaolo Adriana , Wang Wenbin , Chou Chen-Yi , Hisaki Ichiro , Tohnai Norimitsu , Miyata Mikiji , Nakano Tamaki
Published: November 2015

Right handed 2/1 helical arrangement of benzene included in cholic acid (CA) crystals was directly established by experimental and theoretical circular dichroism spectral studies.
Shape-memory effect in an organosuperelastic crystal
Authors: Takamizawa Satoshi , Takasaki Yuichi
Published: November 2015

An organoionic crystal of tetrabutyl-n-phosphonium tetraphenylborate thermally recovers its shape through superelasticity, similar to shape-memory alloys.
Oriented cell division: new roles in guiding skin wound repair and regeneration
Authors: Yang Shaowei , Ma Kui , Geng Zhijun , Sun Xiaoyan , Fu Xiaobing
Published: November 2015

Tissue morphogenesis depends on precise regulation and timely co-ordination of cell division and also on the control of the direction of cell division. Establishment of polarity division axis, correct alignment of the mitotic spindle, segregation of fate determinants equally or unequally between daughter cells, are essential for the realization of oriented cell division. Furthermore, oriented cell division is regulated by intrinsic cues, extrinsic cues and other cues, such as cell geometry and polarity. However, dysregulation of cell division orientation could lead to abnormal tissue development and function. In the present study, we review recent studies on the molecular mechanism of cell division orientation and explain their new roles in skin repair and regeneration.
Excitons in coupled type-II double quantum wells under electric and magnetic fields: InAs/AlSb/GaSb
Authors: Lyo S. K. , Pan W.
Published: November 2015

We calculate the wave functions and the energy levels of an exciton in double quantum wells under electric (F) and magnetic (B) fields along the growth axis. The result is employed to study the energy levels, the binding energy, and the boundary on the F–B plane of the phase between the indirect exciton ground state and the semiconductor ground state for several typical structures of the type-II quasi-two-dimensional quantum wells such as InAs/AlSb/GaSb. The inter-well inter-band radiative transition rates are calculated for exciton creation and recombination. We find that the rates are modulated over several orders of magnitude by the electric and magnetic fields.
Spectroscopic ellipsometry study of the free-carrier and band-edge absorption in ZnO thin films: Effect of non-stoichiometry
Authors: Singh Chaman , Nozaki Shinji , Rath Shyama
Published: November 2015

The effect of stoichiometry on the complex dielectric function (ε(E) = ε1(E) + iε2(E)), and thereby on the optical and electrical properties, of rf-sputtered polycrystalline ZnO films was investigated using spectroscopic ellipsometry in the UV-VIS-NIR range. The stoichiometry and the density of the films were quantified by Rutherford backscattering spectroscopy. The lineshape of the dielectric function was fitted using the Tauc-Lorentz multi-oscillator and Drude models. The stoichiometric as well as the sub-stoichiometric films showed a high optical transparency in the visible and a bandgap absorption in the UV region. In the NIR region, however, the sub-stoichiometric films showed a significant increase in absorption with decreasing energy while the absorption was negligible for the stoichiometric films. This difference in behavior is attributed to the presence of free-carriers in the sub-stoichiometric films, whose concentration was determined to be around 4 × 1020 cm−3 from spectroscopic ellipsometry. The high carrier concentration induced by non-stoichiometry is also manifested in a larger value of the optical bandgap. This study shows the power of spectroscopic ellipsometry for the simultaneous determination of the electrical and optical properties of ZnO films and is applicable for a wide range of film thickness.
A new approach to the method of source-sink potentials for molecular conduction
Authors: Pickup Barry T. , Fowler Patrick W. , Borg Martha , Sciriha Irene
Published: November 2015

We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction through conjugated molecular structures in a form that avoids singularities. This enables derivation of new results for families of molecular devices in terms of eigenvectors and eigenvalues of the adjacency matrix of the molecular graph. In particular, we define the transmission of electrons through individual molecular orbitals (MO) and through MO shells. We make explicit the behaviour of the total current and individual MO and shell currents at molecular eigenvalues. A rich variety of behaviour is found. A SSP device has specific insulation or conduction at an eigenvalue of the molecular graph (a root of the characteristic polynomial) according to the multiplicities of that value in the spectra of four defined device polynomials. Conduction near eigenvalues is dominated by the transmission curves of nearby shells. A shell may be inert or active. An inert shell does not conduct at any energy, not even at its own eigenvalue. Conduction may occur at the eigenvalue of an inert shell, but is then carried entirely by other shells. If a shell is active, it carries all conduction at its own eigenvalue. For bipartite molecular graphs (alternant molecules), orbital conduction properties are governed by a pairing theorem. Inertness of shells for families such as chains and rings is predicted by selection rules based on node counting and degeneracy.
Effect of the radial buoyancy on a circular Couette flow
Authors: Meyer Antoine , Yoshikawa Harunori N. , Mutabazi Innocent
Published: November 2015

The effect of a radial temperature gradient on the stability of a circular Couette flow is investigated when the gravitational acceleration is neglected. The induced radial stratification of the fluid density coupled with the centrifugal acceleration generates radial buoyancy which is centrifugal for inward heating and centripetal for outward heating. This radial buoyancy modifies the Rayleigh discriminant and induces the asymmetry between inward heating and outward heating in flow behavior. The critical modes are axisymmetric and stationary for inward heating while for outward heating, they can be oscillatory axisymmetric or nonaxisymmetric depending on fluid diffusion properties, i.e., on the Prandtl number Pr. The dependence of the critical modes on Pr is explored for different values of the radius ratio of the annulus. The power input of the radial buoyancy is compared with other power terms. The critical frequency of the oscillatory axisymmetric modes is linked to the Brunt-Väisälä frequency due to the density stratification in the radial gravity field induced by the rotation. These modes are associated with inertial waves. The dispersion relation of the oscillatory axisymmetric modes is derived in the vicinity of the critical conditions. A weakly nonlinear amplitude equation with a forcing term is proposed to explain the domination of these axisymmetric oscillatory modes over the stationary centrifugal mode.
Effect of growth temperature on the electronic transport and anomalous Hall effect response in co-sputtered Co2FeSi thin films
Authors: Yadav Anjali , Chaudhary Sujeet
Published: November 2015

Co-sputtered Co2FeSi thin films are studied by varying the growth temperature (Ts) as a control parameter in terms of the appreciable change in the disorder. The effect of Ts on structural, magnetic, electrical, and magneto-transport properties was investigated. As Ts is increased from room temperature to 400 °C, an improvement in the crystallinity and atomic ordering are observed. These are found to be correlated with the associated reduction in residual resistivity (ρxx0) from 410 to 88 μΩ cm, an increment in residual resistivity ratio (r) from 0.8 to 1.23, and an increase in saturation magnetization from 1074 to 1196 emu/cc. The spin wave stiffness constant in these films is found to increase with Ts, with a reasonably high value of 358 meVÅ2 at the optimum value of Ts of 400 °C. Further, the obtained high carrier concentration and mobility values (at 10 K) of ∼30 e−s/f.u. and ∼0.11 cm2 V−1 s−1 for the films deposited at Ts = 400 °C shows the presence of compensated Fermi surface. The transport properties are investigated qualitatively from the scaling of anomalous Hall resistivity ρxys(T) with the longitudinal resistivity ρxx(T) data, employing the extrinsic (skew- and side-jump scatterings) and intrinsic scattering contributions. The variation in the intrinsic scattering contributions observed via the variation in linear dependence of ρxys on ρxx2 with the change in Ts is found to be associated with the improvement in the crystallinity of these films.
On symplectic eigenvalues of positive definite matrices
Authors: Bhatia Rajendra , Jain Tanvi
Published: November 2015

If A is a 2n × 2n real positive definite matrix, then there exists a symplectic matrix M such that MTAM=DOOD where D = diag(d1(A), …, dn(A)) is a diagonal matrix with positive diagonal entries, which are called the symplectic eigenvalues of A. In this paper, we derive several fundamental inequalities about these numbers. Among them are relations between the symplectic eigenvalues of A and those of At, between the symplectic eigenvalues of m matrices A1, …, Am and of their Riemannian mean, a perturbation theorem, some variational principles, and some inequalities between the symplectic and ordinary eigenvalues.
Tuning surface plasmon resonance by the plastic deformation of Au nanoparticles within a diamond anvil cell
Authors: Bao Yongjun , Zhao Bin , Tang Xinyu , Hou Dongjie , Cai Jian , Tang Shan , Liu Junsong , Wang Fei , Cui Tian
Published: November 2015

In this work, surface plasmon resonance (SPR) is tuned by controlling the deformation of Au nanoparticles within a diamond anvil cell (DAC). Colloidal Au nanoparticles were loaded into a DAC and pressurized into a mixture of ice and Au nanoparticles. The Au nanoparticles were reshaped by their anisotropic compression of surrounding ice, which leads to the spectral variations of absorption peaks, broadening or red-shifting. These spectral features are well tuned by controlling the deformation process of Au nanoparticle with choosing the initial intended thickness of DAC gasket. The mechanical properties of Au nanoparticles are also revealed by the shape-dependent SPR in nanometer scale. This result provides us a way to fabricate Au nanoparticles into new shapes and tune SPR of metallic nanoparticles with pressure.
Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions
Authors: Ikeda Takashi , Boero Mauro
Published: November 2015

By resorting to a novel implementation of the first-principles-based van der Waals correction (vdWC) based on maximally localized Wannier functions (MLWFs), we inspect its performance and assess its reliability for aqueous solutions of alkali metal ions. In our implementation of vdWCs, an efficient extrapolation scheme is introduced to allow for affordable first principles molecular dynamics avoiding the explicit recalculation of MLWFs at each step. We find that vdWCs, when added to the widely used revPBE gradient corrected functional, influence substantially both structural and dynamical properties of water molecules, with particular emphasis on the hydration shell of the alkali cations. These effects are more evident for strong structure-making and -breaking cationic species. Moreover, self-diffusion coefficients and reorientation correlation times of solvating water molecules change systematically, showing a trend in better agreement with experiments with respect to simulations neglecting the long-range dispersion contributions.