bluuebunny/crossref_metadata_2025 huggingface dataset:
Optical guiding-based cell focusing for Raman flow cell cytometer
Authors: Verma Ravi Shanker , Ahlawat Sunita , Uppal Abha
Published: April 2018

We report the use of an optical guiding arrangement generated in a microfluidic channel to produce a stream of single cells in a line for single-cell Raman spectroscopic analysis.
Tuning chemoselectivity in O-/N-arylation of 3-aryl-1,2,4-oxadiazolones with ortho-(trimethylsilyl)phenyl triflates via aryne insertion
Authors: Zhou Lijing , Li Hongji , Zhang Wenge , Wang Lei
Published: April 2018

A finely tunable chemoselectivity in arylation of 3-aryl-1,2,4-oxadiazolones with ortho-(trimethylsilyl)phenyl triflates is reported, including silver-catalysed O-arylation and metal-free N-arylation.
Direct observation of the oxidation of DNA bases by phosphate radicals formed under radiation: a model of the backbone-to-base hole transfer
Authors: Ma Jun , Marignier Jean-Louis , Pernot Pascal , Houée-Levin Chantal , Kumar Anil , Sevilla Michael D. , Adhikary Amitava , Mostafavi Mehran
Published: April 2018

In irradiated DNA, by the base-to-base and backbone-to-base hole transfer processes, the hole (i.e., the unpaired spin) localizes on the most electropositive base, guanine.
Effects of oxygen chemical potential on the anisotropy of the adsorption properties of Zr surfaces
Authors: Zhang Hai-Hui , Xie Yao-Ping , Yao Mei-Yi , Xu Jing-Xiang , Zhang Jin-Long , Hu Li-Juan
Published: April 2018

The anisotropy of metal oxidation is a fundamental issue, and the oxidation of Zr surfaces also attracts much attention due to the application of Zr alloys as cladding materials for nuclear fuels in nuclear power plants.
Half-metallicity in a honeycomb–kagome-lattice Mg3C2 monolayer with carrier doping
Authors: Pan Hongzhe , Han Yin , Li Jianfu , Zhang Hongyu , Du Youwei , Tang Nujiang
Published: April 2018

A transition from an anti-ferromagnetic semiconductor to a ferromagnetic half metal can be induced by carrier doping in the honeycomb–kagome-lattice Mg3C2 monolayer.
Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics
Authors: Sun Yajing , Shuai Zhigang , Wang Dong
Published: April 2018

Our first-principles molecular dynamics simulation demonstrates that puckered AsP monolayer has reduced thermal conductivity and increased anisotropy as compared to black phosphorene.
Cocoa procyanidins modulate transcriptional pathways linked to inflammation and metabolism in human dendritic cells
Authors: Midttun Helene L. E. , Ramsay Aina , Mueller-Harvey Irene , Williams Andrew R.
Published: April 2018

A mechanistic insight into the immunomodulatory effects of a purified procyanidin fraction from cocoa beans.
Selective synthesis of 2,5-bis(aminomethyl)furan via enhancing the catalytic dehydration–hydrogenation of 2,5-diformylfuran dioxime
Authors: Xu Yongming , Jia Xiuquan , Ma Jiping , Gao Jin , Xia Fei , Li Xiaofang , Xu Jie
Published: April 2018

The selective synthesis of biomass-derived 2,5-bis(aminomethyl)furan in 94.1% yield was achieved via enhancing the catalytic dehydration–hydrogenation of 2,5-diformylfuran dioxime.
X-ray spectroscopic analysis of stochastic, periodic precipitation in Co–Fe-Based Prussian blue analogues
Authors: Hayashi Hisashi , Sato Yui , Abe Hitoshi
Published: April 2018

Stochastic, ripening-induced, periodic precipitation of Co–Fe-based Prussian blue analogues in water-glass gels was analyzed by XRF and XANES spectroscopies.
Design, synthesis and evaluation of cinnamic acid ester derivatives as mushroom tyrosinase inhibitors
Authors: Sheng Zhaojun , Ge Siyuan , Xu Ximing , Zhang Yan , Wu Panpan , Zhang Kun , Xu Xuetao , Li Chen , Zhao Denggao , Tang Xiaowen
Published: April 2018

Tyrosinase is a key enzyme in melanin biosynthesis, and is also involved in the enzymatic browning of plant-derived foods.
A visible-light driven electrochemical biofuel cell with the function of CO2conversion to formic acid: coupled thylakoid from microalgae and biocatalyst immobilized electrodes
Authors: Amao Y. , Fujimura M. , Miyazaki M. , Tadokoro A. , Nakamura M. , Shuto N.
Published: April 2018

A new visible-light driven electrochemical biofuel cell consisting of the thylakoid membrane of microalgae immobilized on a TiO2layer electrode as a photoanode, a formate dehydrogenase/viologen co-immobilized electrode as a cathode, and a CO2-saturated buffer solution as the redox electrolyte, was developed.
Graphene-based metal and nitrogen-doped carbon composites as adsorbents for highly sensitive solid phase microextraction of polycyclic aromatic hydrocarbons
Authors: Wang Fuxin , Zheng Yu , Qiu Junlang , Liu Shuqin , Tong Yexiang , Zhu Fang , Ouyang Gangfeng
Published: April 2018

A graphene-based metal and nitrogen-doped carbon is successfully developed and applied as an excellent fiber coating for SPME.
Processable poly(benzoxazole imide)s derived from asymmetric benzoxazole diamines containing 4-phenoxy aniline: synthesis, properties and the isomeric effect
Authors: Sidra Lala Rukh , Chen Guofei , Mushtaq Nafeesa , Ma Kai , Bashir Beenish , Fang Xingzhong
Published: April 2018

A novel series of poly(benzoxazole imide)s are synthesized using asymmetric benzoxazole monomers in an attempt to enhance solution and melt processability.
Thin-walled hollow Au–Cu nanostructures with high efficiency in electrochemical reduction of CO2 to CO
Authors: Zhou Jun-Hao , Lan Da-Wei , Yang Sheng-Song , Guo Yu , Yuan Kun , Dai Lin-Xiu , Zhang Ya-Wen
Published: April 2018

Thin-walled hollow Au–Cu nanostructures were synthesized via galvanic replacement and the Kirkendall effect between copper and gold, and they showed high efficiency for electro-reduction of CO2 to CO.
Mechanical properties of γ-graphyne nanotubes
Authors: Li Maoyuan , Zhang Yingming , Jiang Yunliang , Zhang Yun , Wang Yunming , Zhou Huamin
Published: April 2018

The effects of the dimensions, temperature, strain rate and the presence of a vacancy on the mechanical properties of γ-GNTs were systematically investigated using MD simulations.
Yield of reversible colloidal gels during flow start-up: release from kinetic arrest
Authors: Johnson Lilian C. , Landrum Benjamin J. , Zia Roseanna N.
Published: April 2018

Yield of colloidal gels during start-up of shear flow is characterized by an overshoot in shear stress that accompanies changes in network structure.
Strong-coupling theory of counterions between symmetrically charged walls: from crystal to fluid phases
Authors: Šamaj Ladislav , Trulsson Martin , Trizac Emmanuel
Published: April 2018

We study thermal equilibrium of classical pointlike counterions confined between symmetrically charged walls at distance d.
Insights into the thermal phase transition behavior of a gemini dicationic polyelectrolyte in aqueous solution
Authors: Zhang Yingna , Tang Hui , Wu Peiyi
Published: April 2018

Schematic illustration of the phase transition mechanism of P[SS-P2] aqueous solutions.
oxLDL-mediated cellular senescence is associated with increased NADPH oxidase p47phox recruitment to caveolae
Authors: Wang Jing , Bai Yuzhi , Zhao Xia , Ru Jing , Kang Ning , Tian Tian , Tang Liying , An Yun , Li Pei
Published: April 2018

Atherosclerosis develops as a consequence of inflammation and cell senescence. In critical factors involved in the atherosclerotic changes, reactive oxygen species (ROS) generation is considered a leading cause. While NADPH oxidases, particularly NOX2, are the main sources of ROS, how they are regulated in the disease is incompletely understood. In addition, how caveolae, the membrane structure implicated in oxLDL deposition under vascular endothelia, is involved in the oxLDL-mediated ROS production remains mostly elusive. We report here that macrophages exposed to oxLDL up-regulate its caveolin-1 expression, and the latter in turn up-regulates NOX2 p47phox level. This combination effect results in increased cellular senescence. Interestingly, oxLDL treatment causes the p47phox residing in the cytosol to translocate to the caveolae. Immunoprecipitation assays confirms that cavelin-1 is in high degree association with p47phox. These results suggest caveolin-1 may serve as the membrane target for p47phox and as a switch for ROS production following oxLDL exposure. Our results reveal a previously unknown molecular event in oxLDL-mediated cellular ageing, and may provide a target for clinical intervention for atherosclerosis.
Mindin deficiency in macrophages protects against foam cell formation and atherosclerosis by targeting LXR-β
Authors: Zhang Cheng , Qin Juan-Juan , Gong Fu-Han , Tong Jing-Jing , Cheng Wen-Lin , Wang Haiping , Zhang Yan , Zhu Xueyong , She Zhi-Gang , Xia Hao , Zhu Li-Hua
Published: April 2018

Mindin, which is a highly conserved extracellular matrix protein, has been documented to play pivotal roles in regulating angiogenesis, inflammatory processes, and immune responses. The aim of the present study was to assess whether mindin contributes to the development of atherosclerosis. A significant up-regulation of Mindin expression was observed in the serum, arteries and atheromatous plaques of ApoE−/− mice after high-fat diet treatment. Mindin−/−ApoE−/− mice and macrophage-specific mindin overexpression in ApoE−/− mice (Lyz2-mindin-TG) were generated to evaluate the effect of mindin on the development of atherosclerosis. The Mindin−/−ApoE−/− mice exhibited significantly ameliorated atherosclerotic burdens in the entire aorta and aortic root and increased atherosclerotic plaque stability. Moreover, bone marrow transplantation further demonstrated that mindin deficiency in macrophages was largely responsible for the alleviated atherogenesis. The Lyz2-mindin-TG mice exhibited the opposite phenotype. Mindin deficiency enhanced foam cell formation by increasing the expression of cholesterol effectors, including ABCA1 and ABCG1. The mechanistic study indicated that mindin ablation promoted LXR-β expression via a direct interaction. Importantly, LXR-β inhibition largely reversed the ameliorating effect of mindin deficiency on foam cell formation and ABCA1 and ABCG1 expression. The present study demonstrated that mindin deficiency serves as a novel mediator that protects against foam cell formation and atherosclerosis by directly interacting with LXR-β.
Noise‐enhanced field emission current from a carbon nanotube cantilever
Authors: Tadokoro Y. , Funayama K. , Tanaka H.
Published: April 2018

Field emission current is widely used to measure various characteristics of nanoscale. In this Letter, a cantilever of a carbon nanotube is focused and the amplification of the current is discussed. Increasing the voltage which induces the current gives the amplification; however, this method results in the large power consumption. This Letter provides the alternative solution with the use of the surrounding noise. Exploiting the non‐linear behaviour of the current and introducing a signal processing of time‐averaging, the amplification is observed. The theoretical discussion provides the concrete theory of the amplification: essentially such an effect is obtained by the modulation of the probability density of the noisy voltage. The numerical results demonstrate the effectiveness of the method.
Simplified sparse code multiple access receiver by using truncated messages
Authors: Lai Ke , Wen Lei , Lei Jing , Zhong Jie , Chen GaoJie , Zhou XiaoTian
Published: April 2018

Sparse code multiple access (SCMA) is a promising candidate air interface of the next generation mobile networks. However, the decoding complexity of current message passing algorithm for SCMA is very high. In this study, the authors map SCMA constellation to q‐order Galois field () and introduce a trellis representation to SCMA. Based on the trellis representation, they propose low‐complexity decoding algorithms for SCMA by using truncated messages, which is referred as extended max‐log (EML) algorithm. As the truncated length of EML is unitary for each user, they further propose a channel‐adaptive EMLalgorithm to truncate the messages with a rule that can be adaptive to the channel state. Simulation results show that the proposed schemes obtain a low computational complexity with only a slight performance degradation when the truncated length is selected appropriately.
Emulation of 3GPP SCME power‐delay profiles for characterisation of multiple‐input–multiple‐output antenna in reverberation chamber
Authors: Nguyen Tien Manh , Kim Seung‐Ho , Jeong Jin‐Young , Kwon Jong‐Hwa , Chung Jae‐Young
Published: April 2018

A simple yet effective technique for emulating third generation partnership project spatial channel model extended (3GPP SCME) power‐delay profiles in a reverberation chamber is investigated. Through use of a conventional vector signal generator and oscilloscope, urban macro‐ and micro‐environments containing several strong reflections are replicated with <4% error. The generation of the input power delay profiles, the measurement set‐ups in the reverberation chamber and the emulation optimisation process are described rigorously. In experiment, it is demonstrated that the averaging procedure is essential for acquisition of optimum results in the reverberation chamber. The radiation efficiency and correlation coefficient of a multiple‐input–multiple‐output (MIMO) antenna are also defined for different emulated multipath channels. The calculated results verify the efficacy of the proposed emulation method for MIMO antenna characterisation.
Circularly polarised periodic leaky‐wave antenna with filtering capability
Authors: Rahmani Mohammad Hassan , Deslandes Dominic
Published: April 2018

A planar periodic leaky‐wave antenna with filtering capability, circular polarisation, and wideband performance is presented. Seamless beam scanning from backward to forward is provided by self‐matching the unit cell of the antenna over a large frequency band from 22 to 28 GHz. A wide scanning range of 84° is achieved by using a relatively low‐permittivity dielectric material. Filtering capability is embedded in the antenna structure which contributes to the minimisation of the overall circuit size which is aimed in recent millimetre‐wave antenna in package systems. The proposed antenna has a circular polarisation with an axial ratio of <2 dB at broadside which makes it a good candidate for peer‐to‐peer and peer‐to‐multipeer communication systems.
Physical parameters and ±0.2% parallax of the detached eclipsing binary V923 Scorpii
Authors: Pribulla T. , Mérand A. , Kervella P. , Cameron C. , Deen C. , Garcia P. J. V. , Horrobin M. , Matthews J. M. , Moffat A. F. J. , Pfuhl O. , Rucinski S. M. , Straub O. , Weiss W. W.
Published: April 2018

Context. V923 Sco is a bright (V = 5.91), nearby (π = 15.46 ± 0.40 mas) southern eclipsing binary. Because both components are slow rotators, the minimum masses of the components are known with 0.2% precision from spectroscopy. The system seems ideal for very precise mass, radius, and luminosity determinations and, owing to its proximity and long orbital period (~34.8 days), promises to be resolved with long-baseline interferometry.

Aims. The principal aim is very accurate determinations of absolute stellar parameters for both components of the eclipsing binary and a model-independent determination of the distance.

Methods. New high-precision photometry of both eclipses of V923 Sco with the MOST satellite was obtained. The system was spatially resolved with the VLTI AMBER, PIONIER, and GRAVITY instruments at nine epochs. Combining the projected size of the spectroscopic orbit (in km) and visual orbit (in mas) the distance to the system is derived. Simultaneous analysis of photometric, spectroscopic, and interferometric data was performed to obtain a robust determination of the absolute parameters.

Results. Very precise absolute parameters of the components were derived in spite of the parameter correlations. The primary component is found to be overluminous for its mass. Combining spectroscopic and interferometric observations enabled us to determine the distance to V923 Sco with better than 0.2% precision, which provides a stringent test of Gaia parallaxes.

Conclusions. It is shown that combining spectroscopic and interferometric observations of nearby eclipsing binaries can lead to extremely accurate parallaxes and stellar parameters.
Search for Galactic runaway stars using Gaia Data Release 1 and HIPPARCOS proper motions
Authors: Maíz Apellániz J. , Pantaleoni González M. , Barbá R. H. , Simón-Díaz S. , Negueruela I. , Lennon D. J. , Sota A. , Trigueros Páez E.
Published: April 2018

Context. The first Gaia Data Release (DR1) significantly improved the previously available proper motions for the majority of the Tycho-2 stars.

Aims. We wish to detect runaway stars using Gaia DR1 proper motions and compare our results with previous searches.

Methods. Runaway O stars and BA supergiants were detected using a 2D proper motion method. The sample was selected using Simbad, spectra from our GOSSS project, literature spectral types, and photometry processed using the code CHORIZOS.

Results. We detect 76 runaway stars, 17 (possibly 19) of them with no prior identification as such, with an estimated detection rate of approximately one half of the real runaway fraction. An age effect appears to be present, with objects of spectral subtype B1 and later having traveled for longer distances than runaways of earlier subtypes. We also tentatively propose that the fraction of runaways is lower among BA supergiants that among O stars, but further studies using future Gaia data releases are needed to confirm this. The frequency of fast rotators is high among runaway O stars, which indicates that a significant fraction of them (and possibly the majority) is produced in supernova explosions.
Comparison of the Pharmacokinetic Profiles of a Standardized Extract of Centella asiatica and A Mixture of Madecassoside and Asiaticoside in Rats
Authors: Khemawoot Phisit , Hengjumrut Patcharaporn , Anukunwithaya Tosapol , Chang Leng , Wongwiwatthananukit Supakit , Tantisira Mayuree
Published: April 2018

Centella asiatica is a tropical plant commonly used as an herbal remedy in traditional medicines in many countries. In an attempt to establish an herbal extract with well-defined characteristics, a standardized extract of C. Asiatica, ECa 233, was developed. This extract contains at least 80% triterpenoid glycosides with the major constituents madecassoside and asiaticoside at a ratio of 1.5±0.5:1. In the present study, comparative pharmacokinetics of ECa 233 with its mixture of madecassoside and asiaticoside were conducted in rats. Following intravenous or oral administration of the test compounds, blood, tissues, urine, and feces were collected for the determination of madecassoside, asiaticoside, and their metabolite levels using liquid chromatography tandem mass spectrometry. Plasma levels of madecassoside and asiaticoside in the ECa 233-treated group were found to be higher than their respective counterparts in the mixture. Madecassoside and asiaticoside in both test formulae appeared to be widely distributed in several organs, and more than 50% of the administered doses were recovered as madecassic acid and asiatic acid in the feces within 24 to 48 h. The results clearly demonstrated the pharmacokinetic advantage of a standardized extract of C. Asiatica, ECa 233, compared with a mixture of madecassoside and asiaticoside at an equivalent amount. Other minor constituents that naturally exist in ECa 233 appeared to positively modulate the pharmacokinetics of its major constituents, resulting in relatively better pharmacokinetic profiles than those from a mixture of pure compounds.
Efficient Synthesis of Chromenes from Vinyl o-Quinone Methides via a Brønsted Acid Catalyzed Electrocyclization Process
Authors: Tu Man-Su , Mei Guang-Jian , Shi Feng , Liu Si-Jia , Jiang Xiao-Li , Wu Shu-Fang
Published: April 2018

An efficient approach for the synthesis of chromene derivatives from vinyl o-quinone methides was established via a Brønsted acid catalyzed electrocyclization. By using this methodology, a series of structurally diversified chromenes was synthesized in a highly atom-economic and environmentally benign manner with generally good to excellent yields (up to 98% yield). This reaction will not only provide an efficient method for the construction of chromene scaffolds, but also enrich the research area of o-quinone methides.
Chronic Nerve Compression Accelerates the Progression of Diabetic Peripheral Neuropathy in a Rat Model: A Study of Gene Expression Profiling
Authors: Tu Yiji , Chen Zenggan , Hu Junda , Ding Zuoyou , Lineaweaver William , Dellon A. , Zhang Feng
Published: April 2018

Objective This article investigates the role of chronic nerve compression in the progression of diabetic peripheral neuropathy (DPN) by gene expression profiling.

Methods Chronic nerve compression was created in streptozotocin (STZ)-induced diabetic rats by wrapping a silicone tube around the sciatic nerve (SCN). Neurological deficits were evaluated using pain threshold test, motor nerve conduction velocity (MNCV), and histopathologic examination. Differentially expressed genes (DGEs) and metabolic processes associated with chronic nerve compression were analyzed.

Results Significant changes in withdrawal threshold and MNCV were observed in diabetic rats 6 weeks after diabetes induction, and in DPN rats 4 weeks after diabetes induction. Histopathologic examination of the SCN in DPN rats presented typical changes of myelin degeneration in DPN. Function analyses of DEGs demonstrated that biological processes related to inflammatory response, extracellular matrix component, and synaptic transmission were upregulated after diabetes induction, and chronic nerve compression further enhanced those changes. While processes related to lipid and glucose metabolism, response to insulin, and apoptosis regulation were inhibited after diabetes induction, chronic nerve compression further enhanced these inhibitions.

Conclusion Our study suggests that additional silicone tube wrapping on the SCN of rat with diabetes closely mimics the course and pathologic findings of human DPN. Further studies are needed to verify the effectiveness of this rat model of DPN and elucidate the roles of the individual genes in the progression of DPN.
Pre-Clinical Model to Study Recurrent Venous Thrombosis in the Inferior Vena Cava
Authors: Andraska Elizabeth , Luke Catherine , Elfline Megan , Henke Samuel , Madapoosi Siddharth , Metz Allan , Hoinville Megan , Wakefield Thomas , Henke Peter , Diaz Jose
Published: April 2018

Background Patients undergoing deep vein thrombosis (VT) have over 30% recurrence, directly increasing their risk of post-thrombotic syndrome. Current murine models of inferior vena cava (IVC) VT model host one thrombosis event.

Objective We aimed to develop a murine model to study IVC recurrent VT in mice.

Materials and Methods An initial VT was induced using the electrolytic IVC model (EIM) with constant blood flow. This approach takes advantage of the restored vein lumen 21 days after a single VT event in the EIM demonstrated by ultrasound. We then induced a second VT 21 days later, using either EIM or an IVC ligation model for comparison. The control groups were a sham surgery and, 21 days later, either EIM or IVC ligation. IVC wall and thrombus were harvested 2 days after the second insult and analysed for IVC and thrombus size, gene expression of fibrotic markers, histology for collagen and Western blot for citrullinated histone 3 (Cit-H3) and fibrin.

Results Ultrasound confirmed the first VT and its progressive resolution with an anatomical channel allowing room for the second thrombus by day 21. As compared with a primary VT, recurrent VT has heavier walls with significant up-regulation of transforming growth factor-β (TGF-β), elastin, interleukin (IL)-6, matrix metallopeptidase 9 (MMP9), MMP2 and a thrombus with high citrullinated histone-3 and fibrin content.

Conclusion Experimental recurrent thrombi are structurally and compositionally different from the primary VT, with a greater pro-fibrotic remodelling vein wall profile. This work provides a VT recurrence IVC model that will help to improve the current understanding of the biological mechanisms and directed treatment of recurrent VT.
Dauerhafte Remissionen nach CAR-T-Zell-Therapie
Authors: Krome Susanne
Published: April 2018

Patienten mit follikulären Lymphomen haben eine exzellente Prognose. Bei diffus großzelligen B-Zell-Lymphomen profitieren zwei Drittel der Betroffenen von der Standard-Immunchemotherapie. Für beide Entitäten ist die Prognose jedoch ungünstig, wenn eine primäre Response ausbleibt oder frühe Rezidive auftreten. Schuster et al. behandelten diese Patienten nun mit einer adoptiven Immuntherapie. Die Infusion von CD19-gerichteten CAR-T-Zellen war effektiv und erzielte anhaltende Remissionen.
Machen neue Medikamente die HDT/ASZT überflüssig?
Authors: Krome Susanne
Published: April 2018

Für neu diagnostizierte Patienten mit einem multiplen Myelom war eine Hochdosis-behandlung mit anschließender autologer Stammzelltransplantation (HDT/ASZT) bislang die Standardtherapie. Die Einführung der Immunmodulatoren und Proteasomen-inhibitoren hat in den letzten Jahren die medikamentösen Behandlungsoptionen erweitert und die Prognose insgesamt verbessert. Eine Meta- und Netzwerkanalyse untersuchte in einem aktuellen Vergleich, ob durch die neuen medikamentösen Myelom-Therapeutika in Standarddosis (SDT) der Stellenwert von HDT/ASZT und Tandemtransplantation (HDT2/ASZT) verändert wird.
Optimierungsbedarf beim Magenkarzinom, Fortschritte beim HCC
Authors: Arnheim Katharina
Published: April 2018

„Local Practice, Global Outcomes” war das Motto des Gastrointestinal Cancer Symposium (GICS) 2018, das im Januar mehrere Tausend Teilnehmer nach San Francisco zog (►Abb. 1). Dementsprechend bot das Symposium neben neuen Strategien in der Therapie und Empfehlungen für eine verbesserte Versorgung von Patienten mit gastro-intestinalen Tumoren einen umfassenden Überblick, wie das Management dieser Tumoren in den verschiedenen Weltregionen aussieht.
Proinflammatorische Kost erhöht das Krankheitsrisiko
Authors: Krome Susanne
Published: April 2018

Der Einfluss der Ernährung auf das Darmkrebsrisiko ist unbestritten. Bisher ist nicht klar, wie sich die komplexen und interagierenden Mechanismen auf die Karzinogenese auswirken und welche Empfehlungen daraus abzuleiten sind. Tabung et al. untersuch- ten die Rolle von Lebensmitteln, die entzündliche Prozesse stimulieren. Die Studie belegte für verschiedene Subgruppen eine unterschiedliche Risikosteigerung durch proinflammatorische Kosttypen.
Gezielte Therapieplanung bei traumatischen Nervenläsionen mittels MR-Neurographie
Authors: Bergmeister Konstantin D , Schönle Philipp , Böcker Arne Hendrik , Kronlage Moritz , Godel Tim , Daeschler Simeon , Bendszus Martin , Kneser Ulrich , Harhaus Leila , Schwarz Daniel
Published: April 2018

Einleitung Die korrekte Diagnose und Lokalisation von peripheren Nervenläsionen ist essentiell für die Wahl der richtigen Therapie in der peripheren
Nervenchirurgie. Vor allem Substanzdefekte müssen erkannt werden um eine frühe Wiederherstellung zu ermöglichen und Langzeitschäden zu verhindern. Neueste
Entwicklungen in der MR-Neurographie können detaillierte Informationen über Morphologie und zukünftig möglicherweise sogar die Funktionalität eines Nervs in
Relation zu umgebenden Strukturen liefern. In dieser Fallserie stellen wir Kasuistiken vor, die signifikant von einer erweiterten Diagnostik per MR-Neurographie
profitierten.

Methodik Wir zeigen den klinischen Verlauf von 5 exemplarischen Fällen, die sich mit traumatischen Nervenläsion vorstellten und mittels ergänzender
MR-Neurographie einem konklusiven Therapiekonzept zugeführt wurden. Das Ausmaß der Schädigung sowie die Nervenintegrität wurden mittels speziell hochauflösender
MR-Sequenzen evaluiert und mit den klinischen, z. T. intraoperativen, neurophysiologischen sowie sonographischen Befunden korreliert.

Ergebnisse In zwei Fällen konnte trotz pathologischer Elektroneurographie und nicht eindeutigen Sonographiebefunden aufgrund der in der MR-Diagnostik
erwiesenen Nervenintegrität erfolgreich eine konservative Therapie durchgeführt werden. In drei Fällen ermöglichte die MR-Neurographie die präzise Bestimmung
von Art und Lokalisation der Nervenläsionen, sodass anschließend eine zielgerichtete Nervenrekonstruktion erfolgen konnte.

Diskussion Obwohl noch keine systematischen klinischen Analysen vorliegen, konnten unsere Ergebnisse zeigen, dass die MR-Neurographie traumatische
periphere Nervenläsionen korrekt diagnostizieren und lokalisieren kann. Hierdurch ermöglicht die MR-Neurographie eine verbesserte Diagnostik und somit
Therapieplanung in der Nervenchirurgie. Das Risikoprofil ist identisch zu konventionellen MR-Untersuchungen, jedoch ist die Implementierung von notwendiger
Hard- und Software sowie klinisch-radiologischer Expertise (noch) nicht flächendeckend verfügbar.

Schlussfolgerung Die MR-Neurographie liefert entscheidende Informationen über die Art der Nervenläsion und kann somit die Notwendigkeit einer Operation
sowie die passende OP-Strategie identifizieren.
Simultaneous determination of different ruthenium species by rate differential kinetic spectrophotometry
Authors: Qiao Yahua , Wang Bo , Wu Jizong
Published: April 2018

With increasing nuclear fuel burning up, the yield of fission products increases and the reaction of high-yield fission products comparatively stands out. The precious metal ruthenium is one of the main fission products and a very important indicator in reprocessing and recovery, but the removal of this metal in the first co-decontamination step of plutonium uranium recovery by extraction is difficult. To rapidly determine the ruthenium concentrations in a uranium purification cycle and radioactive waste treatment processes, a simple and sensitive differential kinetic spectrophotometry that allows the simultaneous determination of ruthenium and nitrosyl ruthenium in a complex system is proposed. Based on the determination of the initial apparent rate constant, the reaction order in terms of the Ru3+ and [Ru(NO)]3+ concentrations, the equilibrium constant for the reaction of bipyridyl with Ru3+ and [Ru(NO)]3+ in the presence of hydroxylamine hydrochloride, and the measurement of the initial formation rate and equilibrium concentration of products [Ru(bipy)3]2+, Ru3+, and [Ru(NO)]3+ in the complex system were analyzed using mathematical models, obtaining satisfactory results. The recovery rates ranged from 95.5% to 105%, and the relative standard deviations ranged from 2.9% to 4.3%.
Optical properties of body-centered tetragonal C4: Insights from many-body perturbation and time-dependent density functional theories
Authors: Tarighi Ahmadpour Mahdi , Rostamnejadi Ali , Hashemifar S. Javad
Published: April 2018

We study the electronic structure and optical properties of a body-centered tetragonal phase of carbon (bct-C4) within the framework of time-dependent density functional theory and Bethe-Salpeter equation. The results indicate that the optical properties of bct-C4 are strongly affected by the electron-hole interaction. It is demonstrated that the long-range corrected exchange-correlation kernels could fairly reproduce the Bethe-Salpeter equation results. The effective carrier number reveals that at energies above 30 eV, the excitonic effects are not dominant any more and that the optical transitions originate mainly from electronic excitations. The emerged peaks in the calculated electron energy loss spectra are discussed in terms of plasmon excitations and interband transitions. The results of the research indicate that bct-C4 is an indirect wide-band-gap semiconductor, which is transparent in the visible region and opaque in the ultraviolet spectral range.
The role of surface roughness on dislocation bending and stress evolution in low mobility AlGaN films during growth
Authors: Bardhan Abheek , Mohan Nagaboopathy , Chandrasekar Hareesh , Ghosh Priyadarshini , Sridhara Rao D. V. , Raghavan Srinivasan
Published: April 2018

The bending and interaction of threading dislocations are essential to reduce their density for applications involving III-nitrides. Bending of dislocation lines also relaxes the compressive growth stress that is essential to prevent cracking on cooling down due to tensile thermal expansion mismatch stress while growing on Si substrates. It is shown in this work that surface roughness plays a key role in dislocation bending. Dislocations only bend and relax compressive stresses when the lines intersect a smooth surface. These films then crack. In rough films, dislocation lines which terminate at the bottom of the valleys remain straight. Compressive stresses are not relaxed and the films are relatively crack-free. The reasons for this difference are discussed in this work along with the implications on simultaneously meeting the requirements of films being smooth, crack free and having low defect density for device applications.
Dynamical resonances of the deuterated CH2+ complex in the electronic ground state: A quantum wavepacket study
Authors: Sundaram P. , Padmanaban R.
Published: April 2018

We here investigate the effects of isotopic substituents on the vibrational energy levels of the CH2+ complex, supported by the electronic ground (1 2A′) potential energy surface (PES) of the H + CH+ reaction. We calculate the transition state spectrum by Fourier transforming the time-autocorrelation function of the initial wavepacket (WP) chosen in the interaction region of the PES. Using the time-dependent WP approach, the dynamical resonances are identified as bound and quasibound in nature, and they are characterized in terms of the eigenfunctions and lifetimes. The present work on the isotopic variants [CHD+(CDH+) and CD2+] is compared with our earlier work [P. Sundaram et al., Phys. Chem. Chem. Phys. 19, 20172 (2017)] on the parent CH2+ species. The isotopic variants reveal a large number of peaks in the spectra and the eigenfunctions exhibit the systematic nodal progressions and periodic orbits, the same as in CH2+. While the CD2+ complex exactly mimics the resonance behaviors (local and hyperspherical modes) of the bound and quasibound CH2+ complex, the CHD+(CDH+) complex reveals only the local mode behaviors at low energies and significantly less number of resonance structures at high energies. Lifetime analysis of the isotopic variants implies that the CD2+ complex survives much longer than the CHD+(CDH+) complex and concludes the work by noting the following order in the decay profile of the deuterated CH2+ resonances as CH2+>CHD+(CDH+) >CD2+.
Verification of GENE and GYRO with L-mode and I-mode plasmas in Alcator C-Mod
Authors: Mikkelsen D. R. , Howard N. T. , White A. E. , Creely A. J.
Published: April 2018

Verification comparisons are carried out for L-mode and I-mode plasma conditions in Alcator C-Mod. We compare linear and nonlinear ion-scale calculations by the gyrokinetic codes GENE and GYRO to each other and to the experimental power balance analysis. The two gyrokinetic codes' linear growth rates and real frequencies are in good agreement throughout all the ion temperature gradient mode branches and most of the trapped electron mode branches of the kyρs spectra at r/a = 0.65, 0.7, and 0.8. The shapes of the toroidal mode spectra of heat fluxes in nonlinear simulations are very similar for kyρs ≤ 0.5, but in most cases GENE has a relatively higher heat flux than GYRO at higher mode numbers. The ratio of ion to electron heat flux is similar in the two codes' simulations, but the heat fluxes themselves do not agree in almost all cases. In the I-mode regime, GENE's heat fluxes are ∼3 times those from GYRO, and they are ∼60%–100% higher than GYRO in the L-mode conditions. The GYRO under-prediction of Qe is much reduced in GENE's L-mode simulations, and it is eliminated in the I-mode simulations. This largely improved agreement with the experimental electron heat flux is offset, however, by the large overshoot of GENE's ion heat fluxes, which are 2–3 times the experimental level, and its electron heat flux overshoot at r/a = 0.80 in the I-mode. Rotation effects can explain part of the difference between the two codes' predictions, but very significant differences remain in simulations without any rotation effects.
On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations
Authors: Ravipati Srikanth , Aymard Benjamin , Kalliadasis Serafim , Galindo Amparo
Published: April 2018

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954–1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young’s equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.
Joint energy storage planning and generation rescheduling under uncertainties of solar and wind energies
Authors: Hemmati Reza , Ghiasi Seyyed Mohammad Sadegh
Published: April 2018

This paper presents an advanced methodology to install energy storage systems under network uncertainties. The uncertainties are related to solar and wind powers. The proposed problem minimizes the operational cost of generating units by coordinated energy storage planning and generation rescheduling. The problem is expressed as a stochastic mixed integer linear programming and solved using GAMS software. The simulations are carried out on an IEEE 24-bus test case including one wind unit and one solar power plant. The introduced stochastic problem is compared with the deterministic one in order to demonstrate its significance and effectiveness.
A stable wavelength-tunable triggered source of single photons and cascaded photon pairs at the telecom C-band
Authors: Zeuner Katharina D. , Paul Matthias , Lettner Thomas , Reuterskiöld Hedlund Carl , Schweickert Lucas , Steinhauer Stephan , Yang Lily , Zichi Julien , Hammar Mattias , Jöns Klaus D. , Zwiller Val
Published: April 2018

The implementation of fiber-based long-range quantum communication requires tunable sources of single photons at the telecom C-band. Stable and easy-to-implement wavelength-tunability of individual sources is crucial to (i) bring remote sources into resonance, (ii) define a wavelength standard, and (iii) ensure scalability to operate a quantum repeater. So far, the most promising sources for true, telecom single photons are semiconductor quantum dots, due to their ability to deterministically and reliably emit single and entangled photons. However, the required wavelength-tunability is hard to attain. Here, we show a stable wavelength-tunable quantum light source by integrating strain-released InAs quantum dots on piezoelectric substrates. We present triggered single-photon emission at 1.55 μm with a multi-photon emission probability as low as 0.097, as well as photon pair emission from the radiative biexciton–exciton cascade. We achieve a tuning range of 0.25 nm which will allow us to spectrally overlap remote quantum dots or tuning distant quantum dots into resonance with quantum memories. This opens up realistic avenues for the implementation of photonic quantum information processing applications at telecom wavelengths.
Fast readout algorithm for cylindrical beam position monitors providing good accuracy for particle bunches with large offsets
Authors: Thieberger P. , Gassner D. , Hulsart R. , Michnoff R. , Miller T. , Minty M. , Sorrell Z. , Bartnik A.
Published: April 2018

A simple, analytically correct algorithm is developed for calculating “pencil” relativistic beam coordinates using the signals from an ideal cylindrical particle beam position monitor (BPM) with four pickup electrodes (PUEs) of infinitesimal widths. The algorithm is then applied to simulations of realistic BPMs with finite width PUEs. Surprisingly small deviations are found. Simple empirically determined correction terms reduce the deviations even further. The algorithm is then tested with simulations for non-relativistic beams. As an example of the data acquisition speed advantage, a Field Programmable Gate Array-based BPM readout implementation of the new algorithm has been developed and characterized. Finally, the algorithm is tested with BPM data from the Cornell Preinjector.
Dielectric boundary effects on the interaction between planar charged surfaces with counterions only
Authors: dos Santos Alexandre P. , Netz Roland R.
Published: April 2018

Using Monte Carlo simulations in conjunction with periodic Green’s function methods, we study the interaction between planar charged surfaces with point-like counterions only in the presence of dielectric boundaries. Based on the calculated pressure profiles, we derive phase diagrams featuring correlation-induced negative pressure and thus attraction between the plates for large coupling parameters, i.e., low temperature or high surface charge and high ion valency. The counterion density profiles for low-dielectric and high-dielectric (metallic) surfaces are very different from the idealized case of a homogeneous dielectric constant. By contrast, the phase diagrams including the critical point and the two-phase coexistence region are rather insensitive to the presence of dielectric boundary effects. The single-image approximation that has been used in simulations before is by comparison with the exact formalism shown to be very accurate for low-dielectric surfaces but not for metallic surfaces.
Quantum chemistry in arbitrary dielectric environments: Theory and implementation of nonequilibrium Poisson boundary conditions and application to compute vertical ionization energies at the air/water interface
Authors: Coons Marc P. , Herbert John M.
Published: April 2018

Widely used continuum solvation models for electronic structure calculations, including popular polarizable continuum models (PCMs), usually assume that the continuum environment is isotropic and characterized by a scalar dielectric constant, ε. This assumption is invalid at a liquid/vapor interface or any other anisotropic solvation environment. To address such scenarios, we introduce a more general formalism based on solution of Poisson’s equation for a spatially varying dielectric function, ε(r). Inspired by nonequilibrium versions of PCMs, we develop a similar formalism within the context of Poisson’s equation that includes the out-of-equilibrium dielectric response that accompanies a sudden change in the electron density of the solute, such as that which occurs in a vertical ionization process. A multigrid solver for Poisson’s equation is developed to accommodate the large spatial grids necessary to discretize the three-dimensional electron density. We apply this methodology to compute vertical ionization energies (VIEs) of various solutes at the air/water interface and compare them to VIEs computed in bulk water, finding only very small differences between the two environments. VIEs computed using approximately two solvation shells of explicit water molecules are in excellent agreement with experiment for F−(aq), Cl−(aq), neat liquid water, and the hydrated electron, although errors for Li+(aq) and Na+(aq) are somewhat larger. Nonequilibrium corrections modify VIEs by up to 1.2 eV, relative to models based only on the static dielectric constant, and are therefore essential to obtain agreement with experiment. Given that the experiments (liquid microjet photoelectron spectroscopy) may be more sensitive to solutes situated at the air/water interface as compared to those in bulk water, our calculations provide some confidence that these experiments can indeed be interpreted as measurements of VIEs in bulk water.
Integrated modeling of plasma ramp-up in DIII-D ITER-like and high bootstrap current scenario discharges
Authors: Wu M. Q. , Pan C. K. , Chan V. S. , Li G. Q. , Garofalo A. M. , Jian X. , Liu L. , Ren Q. L. , Chen J. L. , Gao X. , Gong X. Z. , Ding S. Y. , Qian J. P. ,   CFETR Physics Team
Published: April 2018

Time-dependent integrated modeling of DIII-D ITER-like and high bootstrap current plasma ramp-up discharges has been performed with the equilibrium code EFIT, and the transport codes TGYRO and ONETWO. Electron and ion temperature profiles are simulated by TGYRO with the TGLF (SAT0 or VX model) turbulent and NEO neoclassical transport models. The VX model is a new empirical extension of the TGLF turbulent model [Jian et al., Nucl. Fusion 58, 016011 (2018)], which captures the physics of multi-scale interaction between low-k and high-k turbulence from nonlinear gyro-kinetic simulation. This model is demonstrated to accurately model low Ip discharges from the EAST tokamak. Time evolution of the plasma current density profile is simulated by ONETWO with the experimental current ramp-up rate. The general trend of the predicted evolution of the current density profile is consistent with that obtained from the equilibrium reconstruction with Motional Stark effect constraints. The predicted evolution of βN, li, and βP also agrees well with the experiments. For the ITER-like cases, the predicted electron and ion temperature profiles using TGLF_Sat0 agree closely with the experimental measured profiles, and are demonstrably better than other proposed transport models. For the high bootstrap current case, the predicted electron and ion temperature profiles perform better in the VX model. It is found that the SAT0 model works well at high IP (>0.76 MA) while the VX model covers a wider range of plasma current (IP > 0.6 MA). The results reported in this paper suggest that the developed integrated modeling could be a candidate for ITER and CFETR ramp-up engineering design modeling.