bluuebunny/crossref_metadata_2025 huggingface dataset:
The influence of marital status on survival of gallbladder cancer patients: a population-based study
Authors: Li Xinxing , Liu Ye , Wang Yi , Ruan Canping , Wang Haolu , Liang Xiaowen , Sun Yanping , Hu Zhiqian
Published: July 2017

Marital status has been found to be a prognostic factor for survival in various cancers, but its role in gallbladder cancer (GBC) has not been fully studied. In this study, we used the Surveillance, Epidemiology, and End Results Program (SEER)-registered database to analyze the survival of GBC patients with different marital status. A total of 6,627 GBC patients were selected from SEER database from 2004 to 2013. The age, race, grade, histologic type, AJCC stage, SEER stage and marital status were identified as independent prognostic factors. Married GBC patients had a higher 5-year cancer-specific survival (CSS) than that of unmarried ones (20.1% v.s. 17.8%, P < 0.05). Subgroup analyses showed that widowed patients had 14.0% less of 5-year CSS compared to married ones of stage I (55.9% v.s. 41.9%, P < 0.05), 14.7% of stage II (15.6% v.s. 10.9%, P < 0.05), and 1.5% of stage III + IV (2.9% v.s. 1.4%, P < 0.05). In addition, single is an independent prognostic factor at stage III + IV (HR = 1.225, 95%CI 1.054–1.423, P = 0.008). These results indicated that widowed patients were at a high risk of cancer-specific mortality and marriage can be a protective prognostic factor in CSS.
Self-Organized Micro-Spiral of Single-Walled Carbon Nanotubes
Authors: Mae Keisuke , Toyama Hidetoshi , Nawa-Okita Erika , Yamamoto Daigo , Chen Yong-Jun , Yoshikawa Kenichi , Toshimitsu Fumiyuki , Nakashima Naotoshi , Matsuda Kazunari , Shioi Akihisa
Published: July 2017

Single-walled carbon nanotubes (SWCNTs) are reported to spontaneously align in a rotational pattern by drying a liquid droplet of toluene containing polyfluorene as a dispersant. By situating a droplet of an SWCNT solution around a glass bead, spiral patterns are generated. The parallel alignment of SWCNTs along one stripe of such a pattern is confirmed using scanning electron microscopy and polarized optical microscopy. The orientation order increases toward the outer edge of a stripe. The stripe width in the pattern is proportional to the solute concentration, and the width and position of the stripes follow geometric sequences. The growth of the rotational pattern is also observed in real time. The process of spiral pattern formation is visualized, indicating the role of the annihilation of counter-traveling accompanied by continuous depinning. The geometric sequences for the stripe width and position are explained by the near-constant traveling speed and solute enrichment at the droplet periphery.
Investigation of brain tissue infiltration by medulloblastoma cells in an ex vivo model
Authors: Neve Anuja , Santhana Kumar Karthiga , Tripolitsioti Dimitra , Grotzer Michael A. , Baumgartner Martin
Published: July 2017

Medulloblastoma (MB) is a paediatric cancer of the cerebellum that can develop cerebellar and leptomeningeal metastases. Local brain tissue infiltration, the underlying cause of metastasis and relapse, remains unexplored. We developed a novel approach to investigate tissue infiltration of MB using organotypic cerebellum slice culture (OCSC). We show that cellular and structural components of cerebellar tissue in OCSCs are maintained for up to 30 days ex vivo, and that OCSCs foster tumour growth and cell proliferation. Using cell-based models of sonic hedgehog (SHH) and group 3 (G3) MB, we quantified tumour growth and infiltration and determined the morphological characteristics of the infiltrating cells. We observed basal levels of dissemination occurring in both subgroups with cells migrating either individually or collectively as clusters. Collective cerebellar tissue infiltration of SHH MB cells was further enhanced by EGF but not HGF, demonstrating differential tumour cell responses to microenvironmental cues. We found G3 cells to be hyper proliferative and observed aggressive tumour expansion even in the absence of exogenous growth factors. Our study thus provides unprecedented insights into brain tissue infiltration of SHH and G3 MB cells and reveals the cellular basis of the tumour progressing functions of EGF in SHH MB.
Analysing the natural population growth of a large marine mammal after a depletive harvest
Authors: Romero M. A. , Grandi M. F. , Koen-Alonso M. , Svendsen G. , Ocampo Reinaldo M. , García N. A. , Dans S. L. , González R. , Crespo E. A.
Published: July 2017

An understanding of the underlying processes and comprehensive history of population growth after a harvest-driven depletion is necessary when assessing the long-term effectiveness of management and conservation strategies. The South American sea lion (SASL), Otaria flavescens, is the most conspicuous marine mammal along the South American coasts, where it has been heavily exploited. As a consequence of this exploitation, many of its populations were decimated during the early 20th century but currently show a clear recovery. The aim of this study was to assess SASL population recovery by applying a Bayesian state-space modelling framework. We were particularly interested in understanding how the population responds at low densities, how human-induced mortality interplays with natural mechanisms, and how density-dependence may regulate population growth. The observed population trajectory of SASL shows a non-linear relationship with density, recovering with a maximum increase rate of 0.055. However, 50 years after hunting cessation, the population still represents only 40% of its pre-exploitation abundance. Considering that the SASL population in this region represents approximately 72% of the species abundance within the Atlantic Ocean, the present analysis provides insights into the potential mechanisms regulating the dynamics of SASL populations across the global distributional range of the species.
Synaptic GAP and GEF Complexes Cluster Proteins Essential for GTP Signaling
Authors: Wilkinson Brent , Li Jing , Coba Marcelo P.
Published: July 2017

GTPase-activating proteins (GAPs) and guanine exchange factors (GEFs) play essential roles in regulating the activity of small GTPases. Several GAPs and GEFs have been shown to be present at the postsynaptic density (PSD) within excitatory glutamatergic neurons and regulate the activity of glutamate receptors. However, it is not known how synaptic GAP and GEF proteins are organized within the PSD signaling machinery, if they have overlapping interaction networks, or if they associate with proteins implicated in contributing to psychiatric disease. Here, we determine the interactomes of three interacting GAP/GEF proteins at the PSD, including the RasGAP Syngap1, the ArfGAP Agap2, and the RhoGEF Kalirin, which includes a total of 280 interactions. We describe the functional properties of each interactome and show that these GAP/GEF proteins are highly associated with and cluster other proteins directly involved in GTPase signaling mechanisms. We also utilize Agap2 as an example of GAP/GEFs localized within multiple neuronal compartments and determine an additional 110 interactions involving Agap2 outside of the PSD. Functional analysis of PSD and non-PSD interactomes illustrates both common and unique functions of Agap2 determined by its subcellular location. Furthermore, we also show that these GAPs/GEFs associate with several proteins involved in psychiatric disease.
Elimination of undifferentiated human embryonic stem cells by cardiac glycosides
Authors: Lin Yu-Tsen , Wang Cheng-Kai , Yang Shang-Chih , Hsu Shu-Ching , Lin Hsuan , Chang Fang-Pei , Kuo Tzu-Chien , Shen Chia-Ning , Chiang Po-Ming , Hsiao Michael , Lu Frank Leigh , Lu Jean
Published: July 2017

An important safety concern in the use of human pluripotent stem cells (hPSCs) is tumorigenic risk, because these cells can form teratomas after an in vivo injection at ectopic sites. Several thousands of undifferentiated hPSCs are sufficient to induce teratomas in a mouse model. Thus, it is critical to remove all residue-undifferentiated hPSCs that have teratoma potential before the clinical application of hPSC-derived cells. In this study, our data demonstrated the cytotoxic effects of cardiac glycosides, such as digoxin, lanatoside C, bufalin, and proscillaridin A, in human embryonic stem cells (hESCs). This phenomenon was not observed in human bone marrow mesenchymal stem cells (hBMMSCs). Most importantly, digoxin and lanatoside C did not affect the stem cells’ differentiation ability. Consistently, the viability of the hESC-derived MSCs, neurons, and endothelium cells was not affected by the digoxin and lanatoside C treatment. Furthermore, the in vivo experiments demonstrated that digoxin and lanatoside C prevented teratoma formation. To the best of our knowledge, this study is the first to describe the cytotoxicity and tumor prevention effects of cardiac glycosides in hESCs. Digoxin and lanatoside C are also the first FDA-approved drugs that demonstrated cytotoxicity in undifferentiated hESCs.
Dramatically Enhanced Spin Dynamo with Plasmonic Diabolo Cavity
Authors: Gou Peng , Qian Jie , Xi Fuchun , Zou Yuexin , Cao Jun , Yu Haochi , Zhao Ziyi , Yang Le , Xu Jie , Wang Hengliang , Zhang Lijian , An Zhenghua
Published: July 2017

The applications of spin dynamos, which could potentially power complex nanoscopic devices, have so far been limited owing to their extremely low energy conversion efficiencies. Here, we present a unique plasmonic diabolo cavity (PDC) that dramatically improves the spin rectification signal (enhancement of more than three orders of magnitude) under microwave excitation; further, it enables an energy conversion efficiency of up to ~0.69 mV/mW, compared with ~0.27 μV/mW without a PDC. This remarkable improvement arises from the simultaneous enhancement of the microwave electric field (~13-fold) and the magnetic field (~195-fold), which cooperate in the spin precession process generates photovoltage (PV) efficiently under ferromagnetic resonance (FMR) conditions. The interplay of the microwave electromagnetic resonance and the ferromagnetic resonance originates from a hybridized mode based on the plasmonic resonance of the diabolo structure and Fabry-Perot-like modes in the PDC. Our work sheds light on how more efficient spin dynamo devices for practical applications could be realized and paves the way for future studies utilizing both artificial and natural magnetism for applications in many disciplines, such as for the design of future efficient wireless energy conversion devices, high frequent resonant spintronic devices, and magnonic metamaterials.
Metal-organic-frameworks derived cobalt embedded in various carbon structures as bifunctional electrocatalysts for oxygen reduction and evolution reactions
Authors: Chen Binling , Ma Guiping , Zhu Yanqiu , Xia Yongde
Published: July 2017

A series of nanocomposites of cobalt embedded in N-doped nanoporous carbons, carbon nanotubes or hollow carbon onions have been synthesized by a one-step carbonization of metal-organic-framework ZIF-67. The effect of the carbonization temperature on the structural evolution of the resulting nanocomposites has been investigated in detail. Among the as-synthesized materials, the cobalt/nanoporous N-doped carbon composites have demonstrated excellent electrocatalytic activities and durability towards oxygen reduction reaction in alkaline medium. Compared to the benchmark Pt/C catalyst, the optimized Co@C-800 (carbonized at 800 °C) exhibited high oxygen reduction reaction activity with an onset potential of 0.92 V, and a half-wave potential of 0.82 V. Moreover, the optimized Co@C-800 also showed enhanced electrocatalytic activity towards oxygen evolution reaction from water splitting, with a low onset potential of 1.43 V and a potential of 1.61 V at 10 mA cm−2 current density. This work offered a simple solution to develop metal-organic-framework-derived materials for highly efficient electrochemical applications.
Intrinsic Enhancement of Dielectric Permittivity in (Nb + In) co-doped TiO2 single crystals
Authors: Kawarasaki Masaru , Tanabe Kenji , Terasaki Ichiro , Fujii Yasuhiro , Taniguchi Hiroki
Published: July 2017

The development of dielectric materials with colossal permittivity is important for the miniaturization of electronic devices and fabrication of high-density energy-storage devices. The electron-pinned defect-dipoles has been recently proposed to boost the permittivity of (Nb + In) co-doped TiO2 to 105. However, the follow-up studies suggest an extrinsic contribution to the colossal permittivity from thermally excited carriers. Herein, we demonstrate a marked enhancement in the permittivity of (Nb + In) co-doped TiO2 single crystals at sufficiently low temperatures such that the thermally excited carriers are frozen out and exert no influence on the dielectric response. The results indicate that the permittivity attains quadruple of that for pure TiO2. This finding suggests that the electron-pinned defect-dipoles add an extra dielectric response to that of the TiO2 host matrix. The results offer a novel approach for the development of functional dielectric materials with large permittivity by engineering complex defects into bulk materials.
Modeling Atrial Fibrillation using Human Embryonic Stem Cell-Derived Atrial Tissue
Authors: Laksman Zachary , Wauchop Marianne , Lin Eric , Protze Stephanie , Lee Jeehoon , Yang Wallace , Izaddoustdar Farzad , Shafaattalab Sanam , Gepstein Lior , Tibbits Glen F. , Keller Gordon , Backx Peter H.
Published: July 2017

Since current experimental models of Atrial Fibrillation (AF) have significant limitations, we used human embryonic stem cells (hESCs) to generate an atrial-specific tissue model of AF for pharmacologic testing. We generated atrial-like cardiomyocytes (CMs) from hESCs which preferentially expressed atrial-specific genes, and had shorter action potential (AP) durations compared to ventricular-like CMs. We then generated confluent atrial-like CM sheets and interrogated them using optical mapping techniques. Atrial-like CM sheets (~1 cm in diameter) showed uniform AP propagation, and rapid re-entrant rotor patterns, as seen in AF could be induced. Anti-arrhythmic drugs were tested on single atrial-like CMs and cell sheets. Flecainide profoundly slowed upstroke velocity without affecting AP duration, leading to reduced conduction velocities (CVs), curvatures and cycle lengths of rotors, consistent with increased rotor organization and expansion. By contrast, consistent with block of rapid delayed rectifier K+ currents (Ikr) and AP prolongation in isolated atrial-like CMs, dofetilide prolonged APs and reduced cycle lengths of rotors in cell sheets without affecting CV. In conclusion, using our hESC-derived atrial CM preparations, we demonstrate that flecainide and dofetilide modulate reentrant arrhythmogenic rotor activation patterns in a manner that helps explain their efficacy in treating and preventing AF.
High temperature-induced production of unreduced pollen and its cytological effects in Populus
Authors: Wang Jun , Li Daili , Shang Fengnan , Kang Xiangyang
Published: July 2017

Temperature change is of potential to trigger the formation of unreduced gametes. In this study, we showed that short periods of high temperature treatment can induce the production of 2n pollen in Populus pseudo-simonii Kitag. The meiotic stage, duration of treatment, and temperature have significant effects on the induction of 2n pollen. Heat stress resulted in meiotic abnormalities, including failure of chromosome separation, chromosome stickiness, laggards and micronuclei. Spindle disorientations in the second meiotic division, such as parallel, fused, and tripolar spindles, either increased in frequency or were induced de novo by high temperature treatment. We found that the high temperature treatment induced depolymerisation of meiotic microtubular cytoskeleton, resulting in the failure of chromosome segregation. New microtubular cytoskeletons were able to repolymerise in some heat-treated cells after transferring them to normal conditions. However, aberrant cytokinesis occurred owing to defects of new radial microtubule systems, leading to production of monads, dyads, triads, and polyads. This suggested that depolymerisation and incomplete restoration of microtubules may be important for high temperature-induction of unreduced gametes. These findings might help us understand how polyploidisation is induced by temperature-related stress and support the potential effects of global climate change on reproductive development of plants.
PLAG1 deficiency impairs spermatogenesis and sperm motility in mice
Authors: Juma Almas R. , Grommen Sylvia V. H. , O’Bryan Moira K. , O’Connor Anne E. , Merriner D. Jo , Hall Nathan E. , Doyle Stephen R. , Damdimopoulou Pauliina E. , Barriga Daniel , Hart Adam H. , Van de Ven Wim J. M. , De Groef Bert
Published: July 2017

Deficiency in pleomorphic adenoma gene 1 (PLAG1) leads to reduced fertility in male mice, but the mechanism by which PLAG1 contributes to reproduction is unknown. To investigate the involvement of PLAG1 in testicular function, we determined (i) the spatial distribution of PLAG1 in the testis using X-gal staining; (ii) transcriptomic consequences of PLAG1 deficiency in knock-out and heterozygous mice compared to wild-type mice using RNA-seq; and (iii) morphological and functional consequences of PLAG1 deficiency by determining testicular histology, daily sperm production and sperm motility in knock-out and wild-type mice. PLAG1 was sparsely expressed in germ cells and in Sertoli cells. Genes known to be involved in spermatogenesis were downregulated in the testes of knock-out mice, as well as Hsd17b3, which encodes a key enzyme in androgen biosynthesis. In the absence of Plag1, a number of genes involved in immune processes and epididymis-specific genes were upregulated in the testes. Finally, loss of PLAG1 resulted in significantly lowered daily sperm production, in reduced sperm motility, and in several animals, in sloughing of the germinal epithelium. Our results demonstrate that the subfertility seen in male PLAG1-deficient mice is, at least in part, the result of significantly reduced sperm output and sperm motility.
Global transcriptome analysis identifies differentially expressed genes related to lipid metabolism in Wagyu and Holstein cattle
Authors: Huang Wanlong , Guo Yuntao , Du Weihua , Zhang Xiuxiu , Li Ai , Miao Xiangyang
Published: July 2017

Fat deposition of beef cattle varies between breeds. However, the regulation mechanism is still not elucidated completely at molecular level. In the present study, we comparatively analyzed transcriptome of subcutaneous adipose tissue between Wagyu and Holstein cattle with a significant difference in fat deposition to identify key genes associated with fat metabolism and adipogenesis by high-throughput RNA-seq technology. A total of 59,149,852 and 69,947,982 high quality reads were generated, respectively. With further analysis, 662 differentially expressed genes were identified. Gene Ontology and KEGG pathway analysis revealed that many differentially expressed genes were enriched in several biological processes and pathways relevant to adipogenesis and lipid metabolism, in which PPAR and fatty acid metabolism signaling pathways with related genes such as PPARγ, PLIN2 and ELOVL6 et al. play a critical role. Protein-protein interaction network analysis showed EGR1, FOS, SERPINE1, AGT, MMP2 may have great impact on adipocyte differentiation and adipogenesis. Moreover, potential alternative splicing events and single nucleotide polymorphisms (SNPs) were also identified. In summary, we comprehensively analyzed and discussed the transcriptome of subcutaneous adipose tissue of Wagyu and Holstein cattle, which might provide a theoretical basis for better understanding molecular mechanism of fat metabolism and deposition in beef cattle.
Insulin resistance and obesity among infertile women with different polycystic ovary syndrome phenotypes
Authors: Al-Jefout Moamar , Alnawaiseh Nedal , Al-Qtaitat Aiman
Published: July 2017

Polycystic ovary syndrome (PCOS) is a common problem among Arab women and is the main cause of infertility due to anovulation. This study investigates insulin resistance (IR) and obesity in different PCOS phenotypes among infertile women (n = 213), of whom 159 had PCOS and 54 women without PCOS, recruited as a control group. Biometric, hormonal and clinical parameters were studied. IR was observed in 133 (83.6%) women with PCOS and in 25 (46.3%) women without PCOS (p < 0.001). IR was significantly associated with PCOS only among women with central obesity (χ2 = 35.0, p < 0.001) and not for the normal category (χ2 = 4.04, p < 0.058). The LH/FSH ratio was not significantly different among the PCOS group (n = 37, 23.3%) compared to the control group (n = 9, 16.7%) (p = 0.308). Among women with PCOS, the most common phenotype was type I (50.3%), with type III (29.6%), type II (14.5%) and type IV (5.7%). Type I had the highest values of fasting insulin (median = 12.98 mU/mL) and HOMA IR values (significant difference among the four phenotypes, p = 0.009 and 0.006, respectively) and is associated with severity of the disease. There was no difference in glucose levels.
Effect of Nb2O5 doping on improving the thermo-mechanical stability of sealing interfaces for solid oxide fuel cells
Authors: Zhang Qi , Du Xinhang , Tan Shengwei , Tang Dian , Chen Kongfa , Zhang Teng
Published: July 2017

Nb2O5 is added to a borosilicate sealing system to improve the thermo-mechanical stability of the sealing interface between the glass and Fe-Cr metallic interconnect (Crofer 22APU) in solid oxide fuel cells (SOFCs). The thermo-mechanical stability of the glass/metal interface is evaluated experimentally as well as by using a finite element analysis (FEA) method. The sealing glass doped with 4 mol.% Nb2O5 shows the best thermo-mechanical stability, and the sealing couple of Crofer 22APU/glass/GDC (Gd0.2Ce0.8O1.9) remains intact after 50 thermal cycles. In addition, all sealing couples show good joining after being held at 750 °C for 1000 h. Moreover, the possible mechanism on the thermo-mechanical stability of sealing interface is investigated in terms of stress-based and energy-based perspectives.
Deep Learning for Fully-Automated Localization and Segmentation of Rectal Cancer on Multiparametric MR
Authors: Trebeschi Stefano , van Griethuysen Joost J. M. , Lambregts Doenja M. J. , Lahaye Max J. , Parmar Chintan , Bakers Frans C. H. , Peters Nicky H. G. M. , Beets-Tan Regina G. H. , Aerts Hugo J. W. L.
Published: July 2017

Multiparametric Magnetic Resonance Imaging (MRI) can provide detailed information of the physical characteristics of rectum tumours. Several investigations suggest that volumetric analyses on anatomical and functional MRI contain clinically valuable information. However, manual delineation of tumours is a time consuming procedure, as it requires a high level of expertise. Here, we evaluate deep learning methods for automatic localization and segmentation of rectal cancers on multiparametric MR imaging. MRI scans (1.5T, T2-weighted, and DWI) of 140 patients with locally advanced rectal cancer were included in our analysis, equally divided between discovery and validation datasets. Two expert radiologists segmented each tumor. A convolutional neural network (CNN) was trained on the multiparametric MRIs of the discovery set to classify each voxel into tumour or non-tumour. On the independent validation dataset, the CNN showed high segmentation accuracy for reader1 (Dice Similarity Coefficient (DSC = 0.68) and reader2 (DSC = 0.70). The area under the curve (AUC) of the resulting probability maps was very high for both readers, AUC = 0.99 (SD = 0.05). Our results demonstrate that deep learning can perform accurate localization and segmentation of rectal cancer in MR imaging in the majority of patients. Deep learning technologies have the potential to improve the speed and accuracy of MRI-based rectum segmentations.
Oscillatory Nernst effect in Pt|ferrite|cuprate-superconductor trilayer films
Authors: Shiomi Y. , Lustikova J. , Saitoh E.
Published: July 2017

Although magnetism and superconductivity hardly coexist in a single material, recent advances in nanotechnology and spintronics have brought to light their interplay in magnetotransport in thin-film heterostructures. Here, we found a periodic oscillation of Nernst voltage with respect to magnetic fields in Pt|LiFe5O8 (Pt|LFO) bilayers grown on a cuprate superconductor YBa2Cu3O7−x
(YBCO). At high temperatures above the superconducting transition temperature (T
C
) of YBCO, spin Seebeck voltages originating in Pt|LFO layers are observed. As temperature decreases well below T
C
, the spin Seebeck voltage is suppressed and unconventional periodic voltage oscillation as a function of magnetic fields appears; such an oscillation emerging along the Hall direction in the superconducting state has not been observed yet. Dynamics of superconducting vortices pinned by surface precipitates seems responsible for the oscillatory Nernst effect.
Predictability of state-level flood damage in the conterminous United States: the role of hazard, exposure and vulnerability
Authors: Zhou Qianqian , Leng Guoyong , Feng Leyang
Published: July 2017

Understanding historical changes in flood damage and the underlying mechanisms is critical for predicting future changes for better adaptations. In this study, a detailed assessment of flood damage for 1950–1999 is conducted at the state level in the conterminous United States (CONUS). Geospatial datasets on possible influencing factors are then developed by synthesizing natural hazards, population, wealth, cropland and urban area to explore the relations with flood damage. A considerable increase in flood damage in CONUS is recorded for the study period which is well correlated with hazards. Comparably, runoff indexed hazards simulated by the Variable Infiltration Capacity (VIC) model can explain a larger portion of flood damage variations than precipitation in 84% of the states. Cropland is identified as an important factor contributing to increased flood damage in central US while urbanland exhibits positive and negative relations with total flood damage and damage per unit wealth in 20 and 16 states, respectively. Overall, flood damage in 34 out of 48 investigated states can be predicted at the 90% confidence level. In extreme cases, ~76% of flood damage variations can be explained in some states, highlighting the potential of future flood damage prediction based on climate change and socioeconomic scenarios.
Transverse Coherence Limited Coherent Diffraction Imaging using a Molybdenum Soft X-ray Laser Pumped at Moderate Pump Energies
Authors: Zürch M. , Jung R. , Späth C. , Tümmler J. , Guggenmos A. , Attwood D. , Kleineberg U. , Stiel H. , Spielmann C.
Published: July 2017

Coherent diffraction imaging (CDI) in the extreme ultraviolet has become an important tool for nanoscale investigations. Laser-driven high harmonic generation (HHG) sources allow for lab scale applications such as cancer cell classification and phase-resolved surface studies. HHG sources exhibit excellent coherence but limited photon flux due poor conversion efficiency. In contrast, table-top soft X-ray lasers (SXRL) feature excellent temporal coherence and extraordinary high flux at limited transverse coherence. Here, the performance of a SXRL pumped at moderate pump energies is evaluated for CDI and compared to a HHG source. For CDI, a lower bound for the required mutual coherence factor of |μ12| ≥ 0.75 is found by comparing a reconstruction with fixed support to a conventional characterization using double slits. A comparison of the captured diffraction signals suggests that SXRLs have the potential for imaging micron scale objects with sub-20 nm resolution in orders of magnitude shorter integration time compared to a conventional HHG source. Here, the low transverse coherence diameter limits the resolution to approximately 180 nm. The extraordinary high photon flux per laser shot, scalability towards higher repetition rate and capability of seeding with a high harmonic source opens a route for higher performance nanoscale imaging systems based on SXRLs.
Effect of Shock-Induced Cavitation Bubble Collapse on the damage in the Simulated Perineuronal Net of the Brain
Authors: Wu Yuan-Ting , Adnan Ashfaq
Published: July 2017

The purpose of this study is to conduct modeling and simulation to understand the effect of shock-induced mechanical loading, in the form of cavitation bubble collapse, on damage to the brain’s perineuronal nets (PNNs). It is known that high-energy implosion due to cavitation collapse is responsible for corrosion or surface damage in many mechanical devices. In this case, cavitation refers to the bubble created by pressure drop. The presence of a similar damage mechanism in biophysical systems has long being suspected but not well-explored. In this paper, we use reactive molecular dynamics (MD) to simulate the scenario of a shock wave induced cavitation collapse within the perineuronal net (PNN), which is the near-neuron domain of a brain’s extracellular matrix (ECM). Our model is focused on the damage in hyaluronan (HA), which is the main structural component of PNN. We have investigated the roles of cavitation bubble location, shockwave intensity and the size of a cavitation bubble on the structural evolution of PNN. Simulation results show that the localized supersonic water hammer created by an asymmetrical bubble collapse may break the hyaluronan. As such, the current study advances current knowledge and understanding of the connection between PNN damage and neurodegenerative disorders.
Spatiotemporal presentation of exogenous SDF-1 with PLGA nanoparticles modulates SDF-1/CXCR4 signaling axis in the rodent cortex
Authors: Dutta D. , Hickey K. , Salifu M. , Fauer C. , Willingham C. , Stabenfeldt S. E.
Published: July 2017

Temporal control over SDF-1 releaseviaPLGA nanoparticles differentially affects the SDF-1/CXCR4 signaling axis across the adult cortex.
Adsorption of galloyl catechin aggregates significantly modulates membrane mechanics in the absence of biochemical cues
Authors: Matsuzaki Takahisa , Ito Hiroaki , Chevyreva Veronika , Makky Ali , Kaufmann Stefan , Okano Kazuki , Kobayashi Naritaka , Suganuma Masami , Nakabayashi Seiichiro , Yoshikawa Hiroshi Y. , Tanaka Motomu
Published: July 2017

Physical interactions of green tea catechin derivatives with cell membrane models were systemically investigated.
Polytypism in the ground state structure of the Lennard-Jonesium
Authors: Pártay Lívia B. , Ortner Christoph , Bartók Albert P. , Pickard Chris J. , Csányi Gábor
Published: July 2017

Polytypic sequences as global minima of the Lennard-Jones model, depending on pressure and potential truncation.
A kinetic study of the CH2OO Criegee intermediate reaction with SO2, (H2O)2, CH2I2 and I atoms using OH laser induced fluorescence
Authors: Liu Yiqiang , Liu Fenghua , Liu Siyue , Dai Dongxu , Dong Wenrui , Yang Xueming
Published: July 2017

The OH laser induced fluorescence method was used to study the kinetics of CH2OO reacting with SO2, (H2O)2, CH2I2 and I atoms.
Fabrication, characterization, and stability of supported single-atom catalysts
Authors: Chen Yaxin , Huang Zhiwei , Ma Zhen , Chen Jianmin , Tang Xingfu
Published: July 2017

Strong metal–support interactions are key requirements for development of stable single-atom catalysts with pronounced catalytic activity.
Covalent hybrids based on Re(i) tricarbonyl complexes and polypyridine-functionalized polyoxometalate: synthesis, characterization and electronic properties
Authors: Auvray Thomas , Santoni Marie-Pierre , Hasenknopf Bernold , Hanan Garry S.
Published: July 2017

A series of [Re(CO)3Br(N^N)] (N^N = substituted 2,2′-bipyridine ligand) complexes based on polypyridine-functionalized Dawson polyoxometalate (1–3) has been synthesized.
A new tetrapodal 3-hydroxy-4-pyridinone ligand for complexation of 89zirconium for positron emission tomography (PET) imaging
Authors: Buchwalder Christian , Rodríguez-Rodríguez Cristina , Schaffer Paul , Karagiozov Stoyan K. , Saatchi Katayoun , Häfeli Urs O.
Published: July 2017

The first octadentate 3-hydroxy-4-pyridinone chelator was prepared and its monometallic 89Zr(iv)-complex was studied in vitro and in vivo.
A highly stable l-alanine-based mono(aquated) Mn(ii) complex as a T1-weighted MRI contrast agent
Authors: Khannam Mahmuda , Weyhermüller Thomas , Goswami Upashi , Mukherjee Chandan
Published: July 2017

Synthesis, characterization and MR image study on a seven-coordinate, mono(aquated) Mn(ii) complex that exhibits high stability, and high r1 relaxivity (3.02 mM−1 s−1) at 1.41 T, pH ∼7.4, 25 °C.
Atmospheric concentrations and gas–particle partitioning of polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs at Indo-Gangetic sites
Authors: Verma Puneet Kumar , Sah Dinesh , Kumari K. Maharaj , Lakhani Anita
Published: July 2017

Aerosol samples in the dual-phase (gaseous and particulate) were collected simultaneously for the first time in Agra at a rural and a traffic dominated site during post-monsoon and winter seasons to investigate the gas–particle partitioning of polycyclic aromatic hydrocarbons (PAHs).
MAO inhibitory activity of bromo-2-phenylbenzofurans: synthesis, in vitro study, and docking calculations
Authors: Delogu G. L. , Pintus F. , Mayán L. , Matos M. J. , Vilar S. , Munín J. , Fontenla J. A. , Hripcsak G. , Borges F. , Viña D.
Published: July 2017

Monoamine oxidase (MAO) is an enzyme responsible for metabolism of monoamine neurotransmitters which play an important role in brain development and function.
Orchestration of dynamic copper navigation – new and missing pieces
Authors: Öhrvik Helena , Aaseth Jan , Horn Nina
Published: July 2017

A general principle in all cells in the body is that an essential metal – here copper – is taken up at the plasma membrane, directed through cellular compartments for use in specific enzymes and pathways, stored in specific scavenging molecules if in surplus, and finally expelled from the cells.
Necessity of calcination in the preparation of phosphotungstic acid@TiO2 composites. A case study on the facile sol–gel synthesis of nanospheres and their superior performance in catalytic oxi-desulfurization
Authors: Zuhra Zareen , Lei Huan , Zhao Zipeng , Zhou Yunshan , Zhang Lijuan , Qin Libo
Published: July 2017

Calcinated and un-calcinated PW12@TiO2 catalysts showed parallel performance in ECODS indicating the unnecessity of calcination in the preparation of PW12@TiO2.
Correction: New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
Authors: Gong Jiang , Liu Jie , Jiang Zhiwei , Chen Xuecheng , Wen Xin , Mijowska Ewa , Tang Tao
Published: July 2017

Correction for ‘New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials’ by Jiang Gong et al., New J. Chem., 2015, 39, 962–971.
Highly oriented Langmuir–Blodgett film of silver cuboctahedra as an effective matrix-free sample plate for surface-assisted laser desorption/ionization mass spectrometry
Authors: Kuo Tsung-Rong , Chen Yin-Chien , Wang Chiung-I. , Shen Tzu-Hau , Wang Hong-Yi , Pan Xi-Yu , Wang Di-Yan , Liou Chien-Chung , Chang Yi-Hsuan , Chen Yi-Chia , Wu Yueh-Hsiu , Liu Yun-Ru , Lin Yun-Ho , Hu Cho-Chun , Chen Chia-Chun
Published: July 2017

Design of a sample plate to solve the sweet spot issue is the key to expand the applicability of SALDI MS.
A computational study on the mechanism of ynamide-mediated amide bond formation from carboxylic acids and amines
Authors: Zhang Song-Lin , Wan Hai-Xing , Deng Zhu-Qin
Published: July 2017

A detailed computational study is presented on the reaction mechanism of ynamide-mediated condensation of carboxylic acids with amines to produce amides, which elucidates the reactivity pattern of the coupling reagent ynamide and discloses crucial bifunctional catalytic effects of the carboxylic acid substrate during aminolysis.
Pd-Catalyzed double N-arylation of primary amines to synthesize phenoxazines and phenothiazines
Authors: Zhang Lu , Huang Xin , Zhen Shan , Zhao Jing , Li Heng , Yuan Bingxin , Yang Guanyu
Published: July 2017

Pd-Catalyzed tandem N-arylation of primary amines with aryl halides to synthesize phenoxazine and phenothiazine derivatives.
Correction: Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors
Authors: Putapatri Siddamal Reddy , Kanwal Abhinav , Sridhar Balasubramanian , Banerjee Sanjay K. , Kantevari Srinivas
Published: July 2017

Correction for ‘Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors’ by Siddamal Reddy Putapatri et al., Org. Biomol. Chem., 2014, 12, 8415–8421.
Polymeric 19F MRI agents responsive to reactive oxygen species
Authors: Fu Changkui , Herbst Shauna , Zhang Cheng , Whittaker Andrew K.
Published: July 2017

Medical imaging agents that can report on the biological state are attracting increasing interest.
Kinetics of phosphine substitution in CpRu(PPh3)2X (X = Cl, Br, I, N3, and NCO)
Authors: Hill David , Delaney Connor , Clark Miles , Eaton Mathew , Hassan Bakar , Hendricks Olivia , Dang Duy Khoi , Kirss Rein U.
Published: July 2017

The kinetics of phosphine substitution in CpRu(PPh3)2X (X = Cl, Br, I, N3, and NCO) is consistent with a dissociative mechanism. The complexes react with chloroform to yield CpRu(PPh3)2Cl by a mechanism that involves phosphine loss.
Forward and reverse reactions of N-methylaniline-blocked polyisocyanates: a clear step into double Arrhenius plots and equilibrium temperature of thermally reversible reactions
Authors: Nasar A. Sultan , Libni G.
Published: July 2017

In this paper we report, the reaction parameters playing a vital role in the preparation and applications of industrially importantN-methylaniline blocked polyisocyanates.
Simultaneous neutron reflectometry and infrared reflection absorption spectroscopy (IRRAS) study of mixed monolayer reactions at the air–water interface
Authors: Skoda Maximilian W. A. , Thomas Benjamin , Hagreen Matthew , Sebastiani Federica , Pfrang Christian
Published: July 2017

Simultaneous neutron reflectometry and infrared spectroscopy can follow the oxidation of complex, realistic surfactant mixtures relevant for atmospheric chemistry.
Oxidative dehydrogenation of n-butane to butenes on Mo-doped VMgO catalysts
Authors: Liu Xue , Duan Linhai , Yang Weishen , Zhu Xuefeng
Published: July 2017

A small amount of Mo-doping in a VMgO catalyst significantly results in an increase in the total butene selectivity.
Raman optical activity (ROA) and surface-enhanced ROA (SE-ROA) of (+)-(R)-methyloxirane adsorbed on a Ag20cluster
Authors: Ren Xin , Lin Weihua , Fang Yurui , Ma Fengcai , Wang Jingang
Published: July 2017

Chirality is ubiquitous in nature and plays an important role in biochemistry because biological function is largely dependent on the handedness of chiral molecules.
New cyclometalated Ir(iii) complexes with NCN pincer and meso-phenylcyanamide BODIPY ligands as efficient photodynamic therapy agents
Authors: Tabrizi Leila , Chiniforoshan Hossein
Published: July 2017

A new class of cyclometalated iridium(iii) with NCN pincer andmeso-phenylcyanamide BODIPY ligands has been synthesized and studied for photodynamic therapy.
The effects of central metals on ammonia sensing of metallophthalocyanines covalently bonded to graphene oxide hybrids
Authors: Li Yong , Wang Bin , Yu Zheying , Zhou Xiaoqing , Kang Di , Wu Yiqun , Chen Zhimin , He Chunying , Zhou Xin
Published: July 2017

Stably dispersed aPcM–GO hybrids were prepared by a facile amidation reaction with excellent NH3 sensing properties at room temperature, which rely to the aPcM functionalization on GO.
Synthesis and biological evaluation of novel neoflavonoid derivatives as potential antidiabetic agents
Authors: Wang Bing , Li Na , Liu Teng , Sun Jie , Wang Xiaojing
Published: July 2017

Various substituted neoflavonoid derivatives were synthesized. These neoflavonoid derivatives were screened for antioxidant, a-glucosidase inhibitory, ALR2 inhibitory and advanced glycation end-product formation inhibitory activities.
Full color palette of fluorescentd-amino acids for in situ labeling of bacterial cell walls
Authors: Hsu Yen-Pang , Rittichier Jonathan , Kuru Erkin , Yablonowski Jacob , Pasciak Erick , Tekkam Srinivas , Hall Edward , Murphy Brennan , Lee Timothy K. , Garner Ethan C. , Huang Kerwyn Casey , Brun Yves V. , VanNieuwenhze Michael S.
Published: July 2017

Fluorescentd-amino acids (FDAAs) enable efficientin situlabeling of peptidoglycan in diverse bacterial species.
Mild preparation and high fluorescence emission efficiency of europium-doped gallium nitride nanocrystals and first-principles density functional theoretical analysis of optical properties
Authors: Hu Xiaolin , Zhou Ning , Hu Yizhen , Li Yinhua , Chen Nannan , Zhao Bin , Zhang Yongfan , Zhuang Naifeng
Published: July 2017

Eu:GaN nanocrystals have strong fluorescence emission and efficient energy transfer by means of DFT simulations. SiO2 coating improves the fluorescence quantum yield.
Associations Between Vocal Symptoms and Genetic Variants in the Oxytocin Receptor and Arginine Vasopressin 1A Receptor Gene
Authors: Holmqvist Jämsen Sofia , Johansson Ada , Westberg Lars , Santtila Pekka , von der Pahlen Bettina , Simberg Susanna
Published: July 2017

Purpose

Oxytocin and arginine vasopressin are associated with different aspects of the stress response. As stress is regarded as a risk factor for vocal symptoms, we wanted to explore the association between the oxytocin receptor gene (OXTR) and arginine vasopressin 1A receptor gene (AVPR1A) single-nucleotide polymorphisms (SNPs) and vocal symptoms. We also wanted to explore whether such effects might be mediated by cortisol because oxytocin and vasopressin are associated with cortisol levels.

Method

A population-based sample (N= 657) of Finnish twins (born 1961–1989) completed a web questionnaire on the occurrence of vocal symptoms. A total of 170 participants submitted saliva samples for hormone analysis. A total of 20OXTRandAVPR1ASNPs were analyzed.

Results

ThreeOXTRpolymorphisms (rs2270465, rs2268493, rs7632287) and 2AVPR1Apolymorphisms (rs1587097, rs1042615) showed nominal effects (p< .05) on vocal symptoms, of which 1 (rs1587097) remained significant after correcting for multiple testing (p= .003). We found potential mediation of the effect of theOXTRrs2268493 polymorphism on vocal symptoms through levels of cortisol.

Conclusions

The associations between variants ofOXTRandAVPR1Aand vocal symptoms indicate that oxytocin and vasopressin might influence vocal symptoms. The effect of oxytocin seems to be partly mediated through cortisol actions.
Droplet squeezing through a narrow constriction: Minimum impulse and critical velocity
Authors: Zhang Zhifeng , Drapaca Corina , Chen Xiaolin , Xu Jie
Published: July 2017

Models of a droplet passing through narrow constrictions have wide applications in science and engineering. In this paper, we report our findings on the minimum impulse (momentum change) of pushing a droplet through a narrow circular constriction. The existence of this minimum impulse is mathematically derived and numerically verified. The minimum impulse happens at a critical velocity when the time-averaged Young-Laplace pressure balances the total minor pressure loss in the constriction. Finally, numerical simulations are conducted to verify these concepts. These results could be relevant to problems of energy optimization and studies of chemical and biomedical systems.
Nanoscale investigations on interchain organization in thin films of polymer-liquid crystal blend
Authors: Villeneuve-Faure C. , Le Borgne D. , Ventalon V. , Seguy I. , Moineau-Chane Ching K. I. , Bedel-Pereira E.
Published: July 2017

Optimized nanomorphology in organic thin active layers is crucial for good performance in organic solar cells. However, the relation between morphology and electronic properties at nanoscale remains not completely understood. Here, we study the effect of film thickness and temperature annealing on the ordering of poly(3-hexylthiophene) chains when the polymer is blended with a columnar liquid crystalline molecule. Electronic absorption, atomic force microscopy measurements, and Raman spectroscopy show that morphology and chain ordering of the blend depend on the film thickness. We highlight the benefit of using a liquid crystal in organic blends, opening the way to use simple processing methods for the fabrication of organic electronic devices.
Magnetic anisotropy energy of ferromagnetic shape memory alloys Ni2X(X=Fe, Co)Ga by first-principles calculations
Authors: He Wangqiang , Ma Xingqiao , Liu Zhuhong , Wang Yi , Chen Long-Qing
Published: July 2017

First-principles calculations were employed to explore magnetocrystalline anisotropy energy (MAE) of Ni2X(X=Fe, Co)Ga alloys. The MAE of Ni2FeGa is found to show a concave behavior as a function of tetragonal distortion and easy-axis of magnetization in martensitic phase is along long axis, which have been interpreted by the shift of Fe dxy+dyz peak in minority spin channel near Fermi level. The substitution of Ni by Co in Ni2FeGa alloys rotates magnetic easy axis from long axis to short axis in non-modulated phase while substitution of Fe by Co did not, which is in agreement with experiment. Magnetic anisotropy constant and magnetic stress have been estimated with calculated MAE of martensite phases. By comparing first-principles estimated values of magnetic and twinning stresses, we confirmed the condition, whether large magnetic field-induced strains in FSMAs could be obtained or not. This information can provide theoretical guidance in searching new types of FSMAs with large magnetic field induced strain.
Investigations on the two-dimensional aperiodic plasma photonic crystals with fractal Fibonacci sequence
Authors: Zhang Hai-Feng
Published: July 2017

In this paper, the properties of photonic band gaps (PBGs) and defect modes of two-dimensional (2D) fractal plasma photonic crystals (PPCs) under a transverse-magnetic (TM) wave are theoretically investigated by a modified plane wave expansion (PWE) method. The configuration of 2D PPCs is the square lattices with the iteration rule of the Fibonacci sequence whose constituents are homogeneous and isotropic. The proposed 2D PPCs is filled with the dielectric cylinders in the plasma background. The accuracy and convergence of the present modified PWE method also are validated by a numerical example. The calculated results illustrate that the enough accuracy and good convergence can be achieved compared to the conventional PWE method, if the number of meshed grids is large enough. The dispersion curves of the proposed PPCs and 2D PPCs with a conventional square lattice are theoretically computed to study the properties of PBGs and defect modes. The simulated results demonstrate that the advantaged properties can be obtained in the proposed PPCs compared to the 2D conventional PPCs with similar lattices. If the Fibonacci sequence is introduced into the 2D PPCs, the larger PBGs and higher cutoff frequency can be achieved. The lower edges of PBGs are flat, which are originated from the Mie resonances. The defect modes can be considered as the quasi-localized states since the Fibonacci sequence has the self-similarity and non-periodicity at the same time. The effects of configurational parameters on the characters of the present PPCs are investigated. The results show that the PBGs and defect modes can be easily manipulated by tuning those parameters.