bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of small scale transport processes on phytoplankton distribution in coastal seas
Authors: Hernández-Carrasco Ismael , Orfila Alejandro , Rossi Vincent , Garçon Veronique
Published: May 2018

Coastal ocean ecosystems are major contributors to the global biogeochemical cycles and biological productivity. Physical factors induced by the turbulent flow play a crucial role in regulating marine ecosystems. However, while large-scale open-ocean dynamics is well described by geostrophy, the role of multiscale transport processes in coastal regions is still poorly understood due to the lack of continuous high-resolution observations. Here, the influence of small-scale dynamics (O(3.5–25) km, i.e. spanning upper submesoscale and mesoscale processes) on surface phytoplankton derived from satellite chlorophyll-a (Chl-a) is studied using Lagrangian metrics computed from High-Frequency Radar currents. The combination of complementary Lagrangian diagnostics, including the Lagrangian divergence along fluid trajectories, provides an improved description of the 3D flow geometry which facilitates the interpretation of two non-exclusive physical mechanisms affecting phytoplankton dynamics and patchiness. Attracting small-scale fronts, unveiled by backwards Lagrangian Coherent Structures, are associated to negative divergence where particles and Chl-a standing stocks cluster. Filaments of positive divergence, representing large accumulated upward vertical velocities and suggesting accrued injection of subsurface nutrients, match areas with large Chl-a concentrations. Our findings demonstrate that an accurate characterization of small-scale transport processes is necessary to comprehend bio-physical interactions in coastal seas.
Author Correction: Investigation of Dietary Factors and Esophageal Cancer Knowledge: Comparison of Rural Residents in High- and Low-incidence Areas
Authors: Tian Dong , Mo Shuai-Jia , Han Lian-Kui , Cheng Liang , Huang Heng , Hao Shuai , Guan Ye-Lan , Jiang Kai-Yuan , Deng Jing-Ya , Feng Hu-Hao , Wen Hong-Ying , Fu Mao-Yong
Published: May 2018

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.
Role of Wnt11 during Osteogenic Differentiation of Human Mesenchymal Stem Cells on Microstructured Titanium Surfaces
Authors: Boyan Barbara D. , Olivares-Navarrete Rene , Berger Michael B. , Hyzy Sharon L. , Schwartz Zvi
Published: May 2018

Successful osseointegration of an endosseous implant involves migration and differentiation of mesenchymal stem cells (MSCs) on the implant surface. Micro-structured, hydrophilic titanium surfaces direct MSCs to undergo osteoblastic differentiation in vitro, in the absence of media additives commonly used in cultures grown on tissue culture polystyrene (TCPS). This process involves non-canonical Wnt5a, in contrast to canonical Wnt3a typically credited with osteoblastic differentiation on TCPS. Wnt proteins have been implicated in morphological development and tissue patterning, suggesting that additional Wnts may participate. Here, we demonstrate that Wnt11 is a mediator of osteoblast commitment of MSCs, and increases in a surface-roughness dependent manner. Experiments using cells silenced for Wnt11 indicate that cross-talk between Wnt5a and Wnt11 occurs. Wnt11 potentially acts upstream to Wnt5a, increasing Wnt5a expression and factors associated with osteogenesis. Thus, Wnt11 contributes to peri-implant bone formation distal to the implant surface through a heavily regulated signaling cascade of autocrine/paracrine proteins.
Interplay of the photon drag and the surface photogalvanic effects in the metal-semiconductor nanocomposite
Authors: Mikheev G. M. , Saushin A. S. , Styapshin V. M. , Svirko Yu. P.
Published: May 2018

Photon drag effect (PDE) and surface photogalvanic effect (SPGE) can be observed in centrosymmetric media and manifest themselves in photocurrents, the magnitude and polarity of which depend on wavevector and polarization of the excitation laser beam. PDE photocurrent originates from the transfer of the photon momentum to a free charge carrier, while SPGE photocurrent is due to diffuse scattering of the photoexcited carriers in the subsurface layer. However, despite the different underlying physical mechanisms, these photocurrents have almost indistinguishable dependencies on the polarization and the angle of incidence of the excitation laser beam. In this paper, we observe for the first time a competition between PDE and SPGE in the film containing metal (Ag-Pd) and semiconductor (PdO) nanocrystallites. We show that, depending on the angle of incidence, polarization azimuth and wavelength of the excitation laser beam, the interplay of the PDE and SPGE leads to the generation of either monopolar or bipolar nanosecond current pulses. The experiments performed allow us to visualize the contributions both these effects and obtain light-to-current conversion efficiency in a wide spectral range. Our experimental findings can be employed to control the magnitude and polarity of the light-induced current by polarization of the excitation laser beam.
Isotopic study of intraseasonal variations of plant transpiration: an alternative means to characterise the dry phases of monsoon
Authors: Chakraborty S. , Belekar A. R. , Datye A. , Sinha N.
Published: May 2018

The isotopic characteristics of plant transpired water are strongly controlled by soil evaporation process, primarily by relative humidity. The monsoon system is characterised by large variability of several atmospheric parameters; the primary one being the rainfall, which in turn, modulates the relative humidity. Due to the strong dependency of transpiration on relative humidity, it is expected that this process would vary in accordance with the active and break periods of the monsoon season, which are known to produce cycles of humid and relatively dry phases during a monsoon season. To study the transpiration process, an experiment was conducted wherein rainwater and transpired water were collected from a few plants and analyzed for their isotopic ratios during the summer monsoon seasons of 2016 and 2017. The difference between the isotopic characteristics of the transpired water and rain water is expected to be nominally positive, however, a large variability was observed. This difference is found to be high (low) during the reduced (enhanced) humidity conditions and varies in tandem with the break and active phases of the monsoon season. This characteristic feature may thus be used to delineate the dry and wet phases of monsoon on local to regional scale.
Oligomerization of 2-chloroallyl alcohol by 2-pyridinecarboxylate complex of chromium(III) - new highly active and selective catalyst
Authors: Drzeżdżon Joanna , Sikorski Artur , Chmurzyński Lech , Jacewicz Dagmara
Published: May 2018

The new 2-pyridinecarboxylate (2-pic) complex of chromium(III) has been designed and synthesized as a new highly active and selective oligomerization catalyst. The crystal structure of the new compound has been determined by X-ray diffraction. The composition and purity of [Cr(2-pic)2(OH2)2]NO3 have been confirmed by several spectroscopic methods and the elemental analysis. Furthermore, the new complex has been investigated towards its catalytic activity for the oligomerization of 2-chloro-2-propen-1-ol under the atmospheric pressure and at room temperature. It has turned out that the novel catalyst exhibits a very high catalytic activity. Consequently, [Cr(2-pic)2(OH2)2]NO3 belongs to a new generation of non-metallocene catalysts.
Terrein is an inhibitor of quorum sensing and c-di-GMP in Pseudomonas aeruginosa: a connection between quorum sensing and c-di-GMP
Authors: Kim Bomin , Park Ji-Su , Choi Ha-Young , Yoon Sang Sun , Kim Won-Gon
Published: May 2018

To address the drug-resistance of bacterial pathogens without imposing a selective survival pressure, virulence and biofilms are highly attractive targets. Here, we show that terrein, which was isolated from Aspergillus terreus, reduced virulence factors (elastase, pyocyanin, and rhamnolipid) and biofilm formation via antagonizing quorum sensing (QS) receptors without affecting Pseudomonas aeruginosa cell growth. Additionally, the effects of terrein on the production of QS signaling molecules and expression of QS-related genes were verified. Interestingly, terrein also reduced intracellular 3,5-cyclic diguanylic acid (c-di-GMP) levels by decreasing the activity of a diguanylate cyclase (DGC). Importantly, the inhibition of c-di-GMP levels by terrein was reversed by exogenous QS ligands, suggesting a regulation of c-di-GMP levels by QS; this regulation was confirmed using P. aeruginosa QS mutants. This is the first report to demonstrate a connection between QS signaling and c-di-GMP metabolism in P. aeruginosa, and terrein was identified as the first dual inhibitor of QS and c-di-GMP signaling.
Glycolate oxidase gene family in Nicotiana benthamiana: genome-wide identification and functional analyses in disease resistance
Authors: Xu You-Ping , Yang Juan , Cai Xin-Zhong
Published: May 2018

Glycolate oxidase (GOX)-dependent production of H2O2 in response to pathogens and its function in disease resistance are still poorly understood. In this study, we performed genome-wide identification of GOX gene family in Nicotiana benthamiana and analyzed their function in various types of disease resistance. Sixteen GOX genes were identified in N. benthamiana genome. They consisted of GOX and HAOX groups. All but two NbGOX proteins contained an alpha_hydroxyacid_oxid_FMN domain with extra 43–52 amino acids compared to that of FMN-dependent alpha-hydroxyacid oxidizing enzymes (NCBI-CDD cd02809). Silencing of three NbGOX family genes NbHAOX8, NbGOX1 and NbGOX4 differently affected resistance to various pathogens including Tobacco rattle virus, Xanthomonas oryzae pv. oryzae (Xoo) and Sclerotinia sclerotiorum. Effect of these genes on resistance to Xoo is well correlated with that on Xoo–responsive H2O2 accumulation. Additionally, silencing of these genes enhanced PAMP-triggered immunity as shown by increased flg22-elicited H2O2 accumulation in NbGOX-silenced plants. These NbGOX family genes were distinguishable in altering expression of defense genes. Analysis of mutual effect on gene expression indicated that NbGOX4 might function through repressing NbHAOX8 and NbGOX1. Collectively, our results reveal the important roles and functional complexity of GOX genes in disease resistance in N. benthamiana.
Spatiotemporal control of cargo delivery performed by programmable self-propelled Janus droplets
Authors: Li Menglin , Brinkmann Martin , Pagonabarraga Ignacio , Seemann Ralf , Fleury Jean-Baptiste
Published: May 2018

Self-propelled droplets capable of transporting cargo to specific target locations are desired tools for many future applications. Here we propose a class of active droplets with programmable delivery time that are attracted or repelled by certain obstacle geometries. These droplets consist of a water/ethanol mixture and are dispersed in an oil/surfactant solution. Owing to a mass exchange between fluid phases during self-propulsion, the initially homogeneous droplets spontaneously de-mix and evolve into characteristic Janus droplets. Cargo molecules, like DNA, can be separated into the trailing ethanol-rich droplet and are carried to their target location “like in a backpack”. The delayed onset of phase separation provides a handle to control the time frame of delivery, while long-ranged hydrodynamic interactions and short-ranged wetting forces are exploited to achieve the desired spatial specificity with respect to obstacle geometry and surface chemistry.
Construction of molecular regular tessellations on a Cu(111) surface
Authors: Tao Zhijie , Wang Tao , Wu Daoxiong , Feng Lin , Huang Jianmin , Wu Xiaojun , Zhu Junfa
Published: May 2018

Through thermal treatment, three regular molecular tessellations are constructed on Cu(111) with a linear DOD precursor.
Lipid-exchange in nanodiscs discloses membrane boundaries of cytochrome-P450 reductase
Authors: Barnaba Carlo , Ravula Thirupathi , Medina-Meza Ilce G. , Im Sang-Choul , Anantharamaiah G. M. , Waskell Lucy , Ramamoorthy Ayyalusamy
Published: May 2018

Lipids are critical for the function of mammalian cytochrome-P450s.
Bead-based screening in chemical biology and drug discovery
Authors: Komnatnyy Vitaly V. , Nielsen Thomas E. , Qvortrup Katrine
Published: May 2018

High-throughput screening is an important component of the drug discovery process.
Gas adsorption in an isostructural series of pillared coordination cages
Authors: Gosselin Aeri J. , Lorzing Gregory R. , Trump Benjamin A. , Brown Craig M. , Bloch Eric D.
Published: May 2018

The synthesis and characterization of two novel pillared coordination cages is reported.
Assessment of encapsulated dyes’ distribution in silica nanoparticles and their ability to release useful singlet oxygen
Authors: Kabanov Vladimir , Press David J. , Huynh Racheal P. S. , Shimizu George K. H. , Heyne Belinda
Published: May 2018

Working with silica nanoparticle encapsulated BODIPY and xanthene photosensitizers, we have determined that singlet oxygen spends up to 78% of its lifetime inside the nanocarriers.
Upconversion nanocrystal ‘armoured’ silica fibres with superior photoluminescence for miRNA detection
Authors: Wang Gang , Fu Yike , Ren Zhaohui , Huang Jie , Best Serena , Li Xiang , Han Gaorong
Published: May 2018

A FRET biosensor, based on silica nanofibres armoured with NaYF4:Yb,Er upcoversion nanoparticles (SiO2@UCNP), offers a simple and quantitative methodology for cancer biomarker (miRNA-21) detection.
Single-molecule magnet properties of a monometallic dysprosium pentalene complex
Authors: Kilpatrick Alexander F. R. , Guo Fu-Sheng , Day Benjamin M. , Mansikkamäki Akseli , Layfield Richard A. , Cloke F. Geoffrey N.
Published: May 2018

The pentalene-ligated dysprosium complex [(η8-Pn†)Dy(Cp*)] (1Dy) (Pn† = [1,4-(iPr3Si)2C8H4]2−) and its magnetically dilute analogue are single-molecule magnets, with energy barriers of 245 cm−1.
Epitaxial growth of composite scintillators based on Tb3Al5O12 : Ce single crystalline films and Gd3Al2.5Ga2.5O12 : Ce crystal substrates
Authors: Witkiewicz-Lukaszek S. , Gorbenko V. , Zorenko T. , Paprocki K. , Sidletskiy O. , Fedorov A. , Kucerkova R. , Mares J. A. , Nikl M. , Zorenko Yu.
Published: May 2018

The composite scintillators based on the single crystalline films of TbAG : Ce garnet and GAGG : Ce crystal substrates was developed using the LPE growth method for simultaneous registration of α-particles and γ-quanta in mixed ionizing fluxes.
Hierarchical MoO3/SnS2 core–shell nanowires with enhanced electrochemical performance for lithium-ion batteries
Authors: Hu Chenli , Shu Haibo , Shen Zihong , Zhao Tianfeng , Liang Pei , Chen Xiaoshuang
Published: May 2018

The formation of hierarchical MoO3/SnS2 core–shell nanowires can effectively suppress the rapid dissociation of SnS2 nanosheets via interfacial interactions, which is responsible for the improved electrochemical performance.
Size dependent surface charge properties of silica nano-channels: double layer overlap and inlet/outlet effects
Authors: Sen Tumcan , Barisik Murat
Published: May 2018

A new empirical model extends the existing analytical solution to calculate a nano-channel's charge as a function of channel height and length.
Rupture of amorphous grapheneviavoid formation
Authors: Jain Sandeep K. , Barkema Gerard T.
Published: May 2018

We report a numerical and analytical study of a void in amorphous (small domain polycrystalline) graphene, and we show that the energetics of the void is a balance between the line tension costversusthe increased area gain.
Oxygen vacancy induces self-doping effect and metalloid LSPR in non-stoichiometric tungsten suboxide synergistically contributing to the enhanced photoelectrocatalytic performance of WO3−x/TiO2−xheterojunction
Authors: Huang Weicheng , Wang Jinxin , Bian Lang , Zhao Chaoyue , Liu Danqing , Guo Chongshen , Yang Bin , Cao Wenwu
Published: May 2018

An oxygen-defective heterojunction was made to support the synergistic effect of band-gap narrowing and LSPR-enhanced photoelectrocatalysis.
The role of l-cysteine and introduced surface defects in reactive oxygen species generation by ZnO nanoparticles
Authors: Wawrzyńczyk Dominika , Cichy Bartłomiej , Stęk Wiesław , Nyk Marcin
Published: May 2018

The synthesis and surface functionalization of ZnO nanoparticles were performed, with attention being paid to the possible bio-related applications in light-triggered reactive oxygen species generation.
Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers
Authors: Li Zhi-Min , Qiao Yu , Liu Chun-Bo , Zhou Yan-Feng , Wang Xiu-Yan , Charpentier Paul A. , Che Guang-Bo , Xu William Z. , Liu Li-Hui , Zhu En-Wei
Published: May 2018

Five lead(ii) complexes have been hydrothermally synthesized and characterized.
A protocol for quantifying hydrogen evolution by dye-sensitized molecular photocathodes and its implementation for evaluating a new covalent architecture based on an optimized dye-catalyst dyad
Authors: Windle Christopher D. , Massin Julien , Chavarot-Kerlidou Murielle , Artero Vincent
Published: May 2018

Reproducible hydrogen measurements from molecular photocathodes were made by combining gas chromatography for headspace and a Clark-type electrode for solution.
Ternary nonfullerene polymer solar cells with efficiency >13.7% by integrating the advantages of the materials and two binary cells
Authors: Ma Xiaoling , Gao Wei , Yu Jiangsheng , An Qiaoshi , Zhang Miao , Hu Zhenghao , Wang Jianxiao , Tang Weihua , Yang Chuluo , Zhang Fujun
Published: May 2018

By integrating the advantages of the materials and two binary PSCs into one cell, a PCE of 13.73% is achieved in ternary PSCs.
Boosting biomass valorisation. Synergistic design of continuous flow reactors and water-tolerant polystyrene acid catalysts for a non-stop production of esters
Authors: Trombettoni Valeria , Sciosci Daniele , Bracciale Maria Paola , Campana Filippo , Santarelli Maria Laura , Marrocchi Assunta , Vaccaro Luigi
Published: May 2018

A pump-free, waste-minimized flow protocol exploiting the features of a specifically designed heterogeneous catalyst has been defined for a non-stop production of biomass-derived esters.
A high-throughput flow cytometry-on-a-CMOS platform for single-cell dielectric spectroscopy at microwave frequencies
Authors: Chien Jun-Chau , Ameri Ali , Yeh Erh-Chia , Killilea Alison N. , Anwar Mekhail , Niknejad Ali M.
Published: May 2018

This work presents a microfluidics-integrated label-free flow cytometry-on-a-CMOS platform for the characterization of the cytoplasm dielectric properties at microwave frequencies.
Microwave assisted poly(3,4-ethylenedioxythiophene)–reduced graphene oxide nanocomposite supported Pt as durable electrocatalyst for polymer electrolyte fuel cells
Authors: Vinod Selvaganesh S. , Dhanasekaran P. , Chetty Raghuram , Bhat Santoshkumar D.
Published: May 2018

Schematic representing the formation of PEDOT–GO and further simultaneous deposition of Pt and exfoliation of GO to rGO and possible ORR mechanism.
The promoting effect of noble metal (Rh, Ru, Pt, Pd) doping on the performances of MnOx–CeO2/graphene catalysts for the selective catalytic reduction of NO with NH3at low temperatures
Authors: Yang Liu , You Xiaochen , Sheng Zhongyi , Ma Dingren , Yu Danqing , Xiao Xiang , Wang Sheng
Published: May 2018

Rh, Ru, Pt or Pd doping on MnOx–CeO2/graphene catalysts increased the amount of chemisorbed oxygen and surface acid sites.
The design, synthesis and evaluation of selenium-containing 4-anilinoquinazoline hybrids as anticancer agents and a study of their mechanism
Authors: An Baijiao , Zhang Shun , Hu Jinhui , Pan Tingting , Huang Ling , Tang Johnny Cheuk-on , Li Xingshu , Chan Albert S. C.
Published: May 2018

We report the design, synthesis and evaluation of 2-chloro-N-methyl-N-(4-selenocyanatophenyl)quinazolin-4-amine and its analogues as anticancer agents and the mechanism study.
Correction: Effect of particle size distribution on the electrochemical performance of micro-sized silicon-based negative materials
Authors: Wu Shuaijin , Yu Bing , Wu Zhaohui , Fang Sheng , Shi Bimeng , Yang Juanyu
Published: May 2018

Correction for ‘Effect of particle size distribution on the electrochemical performance of micro-sized silicon-based negative materials’ by Shuaijin Wu et al., RSC Adv., 2018, 8, 8544–8551.
Diffusion across a gel–gel interface – molecular-scale mobility of self-assembled ‘solid-like’ gel nanofibres in multi-component supramolecular organogels
Authors: Ruíz-Olles Jorge , Smith David K.
Published: May 2018

The diffusion of vital components of gel nanofibres across a gel–gel interface is quantified – highly dynamic, self-assembled, two-component gels can adapt and reorganise over time.
Correction: Effect of cation substitution on the pseudocapacitive performance of spinel cobaltite MCo2O4 (M = Mn, Ni, Cu, and Co)
Authors: Liu Shude , Ni Dixing , Li Hai-Feng , Hui Kwun Nam , Ouyang Chu-Ying , Jun Seong Chan
Published: May 2018

Correction for ‘Effect of cation substitution on the pseudocapacitive performance of spinel cobaltite MCo2O4 (M = Mn, Ni, Cu, and Co)’ by Shude Liu et al., J. Mater. Chem. A, 2018, DOI: 10.1039/c8ta00540k.
Optimized Schwarz methods for the coupling of cylindrical geometries along the axial direction
Authors: Gigante Giacomo , Vergara Christian
Published: May 2018

In this work, we focus on the Optimized Schwarz Method for circular flat interfaces and geometric heterogeneous coupling arising when cylindrical geometries are coupled along the axial direction. In the first case, we provide a convergence analysis for the diffusion-reaction problem and jumping coefficients and we apply the general optimization procedure developed in Gigante and Vergara (Numer. Math. 131 (2015) 369–404). In the numerical simulations, we discuss how to choose the range of frequencies in the optimization and the influence of the Finite Element and projection errors on the convergence. In the second case, we consider the coupling between a three-dimensional and a one-dimensional diffusion-reaction problem and we develop a new optimization procedure. The numerical results highlight the suitability of the theoretical findings.
Synthesis of Various Heterocycles Having a Dienamide Moiety by Ring-Closing Metathesis of Ene-ynamides
Authors: Wakamatsu Hideaki , Yoshimura Yuichi , Sasaki Yoshimi , Kawahata Masatoshi , Yamaguchi Kentaro
Published: May 2018

Ring-closing metathesis (RCM) of ynamides, having alkene substituents of various lengths on the side chain, was demonstrated using the second-generation Grubbs catalyst. When the reaction of ene-ynamides was carried out in the presence of 5 mol% of the catalyst, RCM proceeded smoothly to give quinoline or isoquinoline derivatives having a dienamide unit in good yields. Furthermore, RCM of ene-ynamides, having one more carbon on the side chain, proceeded smoothly to provide seven-membered heterocycles having a dienamide component. Similarly, eight-membered heterocycles, diazocine and benzodiazocine, were also synthesized by RCM of ene-ynamides in good yields.
Synthesis of HIV NNRTI Doravirine Analogues via Visible-Light Photoredox Decarboxylative Cross-Coupling
Authors: ElMarrouni Abdellatif , Suen Linda , Wang Cheng , Hunter David , Mitchell Helen , Converso Antonella
Published: May 2018

A C(sp2)–C(sp3) decarboxylative cross-coupling reaction utilizing dual nickel and photoredox catalysis for rapid parallel synthesis of diverse C-ring analogues of the HIV NNRTI clinical candidate doravirine is developed and described herein. This protocol features an alkylation with readily available and inexpensive methyl bromoacetate followed by hydrolysis to prepare an advanced doravirine intermediate, which undergoes decarboxylative cross-coupling with a variety of aryl and heteroaryl bromides. The mildness, broad applicability, and sustainability of the current methodology are improvements over previously reported procedures and allow for rapid parallel synthesis of analogues. The optimization and scope of this method are reported.
Synthesis of a Zeolitic Imidazolate–Zinc Metal–Organic Framework and the Combination of its Catalytic Properties with 2,2,2-Trifluoroethanol for N-Formylation
Authors: Rostamnia Sadegh , Hassankhani Asadollah , Alamgholiloo Hassan , Banaei Reza
Published: May 2018

A novel protocol is reported for the N-formylation of amines with formic acid by using the nanoporous zeolitic imidazolate framework ZIF-8 as a heterogeneous catalyst in 2,2,2-trifluoroethanol.
The spin-forbidden a 4Σ−–X 2Π1/2 transition of GeH detected in absorption using intracavity laser spectroscopy
Authors: Harms Jack C. , O’Brien Leah C. , O’Brien James J.
Published: May 2018

The a 4Σ−–X 2Π1/2 transition of GeH has been recorded in absorption for the first time using Intracavity Laser Spectroscopy (ILS). The GeH molecules were produced in a 0.40–0.60 A DC plasma discharge inside an aluminum hollow cathode, using 500 mTorr of Ar, 100 mTorr of H2, and 200 mTorr of GeH4. This cathode is located within the resonator cavity of a Coherent Verdi™ V-10 pumped dye laser. Effective path lengths for this series of measurements using the ILS method ranged from 2 to 7 km. Spectra were calibrated using the absorption spectrum of I2 collected from an extracavity cell, the I2 transmission spectrum from Salami and Ross, J. Mol. Spectrosc. 223(1), 157 (2005) and PGOPHER’s [C. M. Western, J. Quant. Spectrosc. Radiat. Transfer 186, 221–242 (2016)] calibration feature. Differences in peak positions between calibrated experimental spectra and the reference data were on average less than ±0.002 cm−1. All eight branches expected to have appreciable intensity for the transition have been identified, and isotopologue splitting was observed in features of 5 of the 8 identified rotational branches. Molecular constants have been obtained for the a 4Σ− states of 70GeH (20.84% abundant), 72GeH (27.54% abundant), and 74GeH (36.28% abundant). The transitions were fit using PGOPHER, holding the ground state constants fixed to the values reported by Towle and Brown [Mol. Phys. 78(2), 249 (1993)]. The constants for the a 4Σ− state of 74GeH determined by the fit are T0 = 16 751.5524(13) cm−1, B0 = 6.764 912(33) cm−1, D0 = 0.459 60(17) × 10−3 cm−1, λSS = 9.7453(12) cm−1, λD = 0.468(14) × 10−3 cm−1, γ = 0.077 878(84), and γS = −0.361(77) × 10−3 cm−1.
A bi-level multi-agent system model for decentralized multi-project scheduling of wind power plants
Authors: Zhang Zhe , Chen Minghui
Published: May 2018

In high energy consumption countries of the world, wind power plant construction plays a significant role in the sustainable development, especially in China. This paper develops a bi-level model based multi-agent system for the decentralized multi-mode resource constrained multi-project scheduling problem (DMRCMPSP) of energy companies, which normally manage several wind power plant construction projects at the same time. In the bi-level DMRCMPSP model, there is an auction agent (AA) in charge of the allocation of global resources in the upper level, while in the lower level, several project agents (PAs) are correspondingly in charge of several projects. The bid and auction mechanism is employed to build up the internal competition, and maximizing self-interest is taken as the objective for both AA and PAs. Finally, a practical application in a Chinese energy company demonstrates the applicability and effectiveness of the proposed methodology.
Probing quantum coherence in ultrafast molecular processes: An ab initio approach to open quantum systems
Authors: Coccia Emanuele , Troiani Filippo , Corni Stefano
Published: May 2018

Revealing possible long-living coherence in ultrafast processes allows detecting genuine quantum mechanical effects in molecules. To investigate such effects from a quantum chemistry perspective, we have developed a method for simulating the time evolution of molecular systems based on ab initio calculations, which includes relaxation and environment-induced dephasing of the molecular wave function whose rates are external parameters. The proposed approach combines a quantum chemistry description of the molecular target with a real-time propagation scheme within the time-dependent stochastic Schrödinger equation. Moreover, it allows a quantitative characterization of the state and dynamics coherence through the l1-norm of coherence and the linear entropy, respectively. To test the approach, we have simulated femtosecond pulse-shaping ultrafast spectroscopy of terrylenediimide, a well-studied fluorophore in single-molecule spectroscopy. Our approach is able to reproduce the experimental findings [R. Hildner et al., Nat. Phys. 7, 172 (2011)], confirming the usefulness of the approach and the correctness of the implementation.
Temperature dependence of excitonic transitions in Al0.60Ga0.40N/Al0.70Ga0.30N multiple quantum wells from 4 to 750 K
Authors: Murotani Hideaki , Hayakawa Yuya , Ikeda Kazuki , Miyake Hideto , Hiramtsu Kazumasa , Yamada Yoichi
Published: May 2018

The excitonic optical properties of an Al0.60Ga0.40N/Al0.70Ga0.30N multiple quantum well structure were studied by photoluminescence (PL) spectroscopy at various temperatures. An analysis of the temperature dependence of PL peak energy revealed the stronger localization of excitons than biexcitons, consistent with the trend predicted from the difference between the spatial extents of excitons and biexcitons. The PL linewidth of the excitons increased linearly with increasing temperature up to 300 K and then more rapidly above 300 K. This result indicated that the exciton-longitudinal optical phonon interaction became prominent as the broadening mechanism of the exciton linewidth above 300 K. The luminescence of both excitons and biexcitons exhibited low thermal quenching, with their intensities at 300 K remaining at 37% and 47%, respectively, of their intensities at 4 K. These observations reflected the high thermal stability of the excitons and biexcitons in this multiple quantum well structure. In addition, the ratio of the PL intensity of the exciton-biexciton scattering to the product of the exciton and biexciton luminescence intensities was independent of temperature up to 200 K and increased rapidly with increasing temperature above 250 K. The temperature-independent behavior of this ratio up to 200 K originated from the localization of excitons and biexcitons, and the rapid increase in this ratio with temperature above 250 K reflected an increase in the frequency of interactions between the excitons and biexcitons due to the gradual delocalization of the excitons and biexcitons with increasing temperature.
NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
Authors: Zimmermann Nils. E. R. , Vorselaars Bart , Espinosa Jorge R. , Quigley David , Smith William R. , Sanz Eduardo , Vega Carlos , Peters Baron
Published: May 2018

This work reexamines seeded simulation results for NaCl nucleation from a supersaturated aqueous solution at 298.15 K and 1 bar pressure. We present a linear regression approach for analyzing seeded simulation data that provides both nucleation rates and uncertainty estimates. Our results show that rates obtained from seeded simulations rely critically on a precise driving force for the model system. The driving force vs. solute concentration curve need not exactly reproduce that of the real system, but it should accurately describe the thermodynamic properties of the model system. We also show that rate estimates depend strongly on the nucleus size metric. We show that the rate estimates systematically increase as more stringent local order parameters are used to count members of a cluster and provide tentative suggestions for appropriate clustering criteria.
Integral elastic, vibrational-excitation, electronic-state excitation, ionization, and total cross sections for electron scattering from para-benzoquinone
Authors: Jones D. B. , da Costa R. F. , Kossoski F. , Varella M. T. do N. , Bettega M. H. F. , García G. , Blanco F. , White R. D. , Lima M. A. P. , Brunger M. J.
Published: May 2018

We report absolute experimental integral cross sections (ICSs) for the electron impact excitation of 6 bands (Bands 0-V) of unresolved electronic-states in para-benzoquinone, for incident electron energies between 20 and 40 eV. Absolute vibrational-excitation ICSs, for 3 composite vibrational bands (Bands I-III), are also reported in that same energy range. In addition, ICSs calculated within our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section (TCS) for electron–para-benzoquinone scattering. Where possible, those calculated IAM-SCAR+I ICSs are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, we also present results from our Schwinger multichannel method with pseudopotential (SMCPP) calculations. Here elastic ICSs and ICSs corresponding to the Bands 0–III of unresolved electronic-states are presented, with agreement between the SMCPP electronic-state ICSs and those from our measurements being in good qualitative accord. The energy range of our SMCPP computations is 16–50 eV. Using the binary-encounter-Bethe (BEB) approach, total ionization cross sections for this collision system were computed. Those total ionization cross sections were then added to our SMCPP ICS results, to derive SMCPP/BEB TCSs that are typically in very good accord with those from our IAM-SCAR+I approach.
Communication: Transition-path velocity as an experimental measure of barrier crossing dynamics
Authors: Berezhkovskii Alexander M. , Makarov Dmitrii E.
Published: May 2018

Experimental observation of transition paths—short events when the system of interest crosses the free energy barrier separating reactants from products—provides an opportunity to probe the dynamics of barrier crossing. Yet limitations in the experimental time resolution usually result in observing trajectories that are smoothed out, recross the transition state fewer times, and exhibit apparent velocities that are much lower than the instantaneous ones. Here we show that it is possible to define (and measure) an effective transition-path velocity which preserves exact information about barrier crossing dynamics in the following sense: the exact transition rate can be written in a form resembling that given by transition-state theory, with the mean thermal velocity replaced by the transition-path velocity. In addition, the transition-path velocity (i) ensures the exact local value of the unidirectional reactive flux at equilibrium and (ii) leads to the exact mean transition-path time required for the system to cross the barrier region separating reactants from products. We discuss the coordinate dependence of the transition path velocity and derive analytical expressions for it in the case of diffusive dynamics. These results can be used to discriminate among models of barrier crossing dynamics in single-molecule force spectroscopy studies.
Active magnetic force microscopy of Sr-ferrite magnet by stimulating magnetization under an AC magnetic field: Direct observation of reversible and irreversible magnetization processes
Authors: Cao Yongze , Kumar Pawan , Zhao Yue , Yoshimura Satoru , Saito Hitoshi
Published: May 2018

Understanding the dynamic magnetization process of magnetic materials is crucial to improving their fundamental properties and technological applications. Here, we propose active magnetic force microscopy for observing reversible and irreversible magnetization processes by stimulating magnetization with an AC magnetic field based on alternating magnetic force microscopy with a sensitive superparamagnetic tip. This approach simultaneously measures sample's DC and AC magnetic fields. We used this microscopy approach to an anisotropic Sr-ferrite (SrF) sintered magnet. This is a single domain type magnet where magnetization mainly changes via magnetic rotation. The proposed method can directly observe the reversible and irreversible magnetization processes of SrF and clearly reveal magnetic domain evolution of SrF (without stimulating magnetization—stimulating reversible magnetization—stimulating irreversible magnetization switching) by slowly increasing the amplitude of the external AC magnetic field. This microscopy approach can evaluate magnetic inhomogeneity and explain the local magnetic process within the permanent magnet.
High thermal conductivity and superior thermal stability of amorphous PMDA/ODA nanofiber
Authors: Dong Lan , Xu Xiangfan , Li Baowen
Published: May 2018

The applications of polymers and their nanocomposites for thermal dissipation/management are limited by their low thermal conductivity and inferior thermal stability due to their disordered molecular chains. In this paper, we experimentally demonstrate the high thermal conductivity in individual suspended PMDA/ODA nanofibers which are fabricated by the typical electrospinning technology. More interestingly, the PMDA/ODA nanofibers possess high-temperature thermal stability up to T = 450 K, which is far beyond the hot spot temperature of integrated circuits. The observed high thermal conductivity and high-temperature thermal stability enable PMDA/ODA nanofibers to be a potential candidate for efficient thermal interface materials in the future applications.
Temperature Dependence of Mineral Solubility in Water. Part 3. Alkaline and Alkaline Earth Sulfates
Authors: Krumgalz B. S.
Published: May 2018

The databases of alkaline and alkaline earth sulfate solubilities in water at various temperatures were created using experimental data from the publications over about the last two centuries. Statistical critical evaluation of the created databases was produced since there were enough independent data sources to justify such evaluation. The reliable experimental data were adequately described by polynomial expressions over various temperature ranges. Using the Pitzer approach for ionic activity and osmotic coefficients, the thermodynamic solubility products for the discussed minerals have been calculated at various temperatures and represented by polynomial expressions.
Boar sperm hyperactivated motility is induced by temperature via an intracellular calcium-dependent pathway
Authors: Martin-Hidalgo David , Gil Maria C. , Hurtado de Llera Ana , Perez Carlos J. , Bragado Maria J. , Garcia-Marin Luis J.
Published: May 2018

Herein we describe a new protocol to induce boar sperm hypermotility: temperature-induced hypermotility (TIH). Briefly, spermatozoa stored at 17°C in a calcium-free Tyrode’s basal medium (containing EGTA) were exposed to increased temperature by incubation at 38.5°C. Hypermotility induced by the calcium ionophore A23187 was used as a control (calcium ionophore-induced hyperactivity (CIIH)). The increase in temperature led to an increase in the percentage of hypermotile spermatozoa. When the slope of the temperature increase is near zero, sperm hyperactivity becomes a more progressive movement. Motility parameters of sperm hyperactivation induced by TIH were different from those following CIIH. Cluster analysis revealed that these two populations of hyperactivated spermatozoa are different. TIH is independent of extracellular Ca2+ but dependent on intracellular Ca2+ release. Moreover, TIH is unaffected by protein kinase A (PKA) inhibition, whereas CIIH is reduced by half in the presence of a PKA inhibitor. In conclusion, we have demonstrated that: (1) a temperature increase in boar spermatozoa is a stimulus that can induce a hyperactive population, which is differs from the hyperactive sperm population induced by calcium ionophore; (2) the temperature increase in spermatozoa triggers the release of Ca2+ from intracellular stores; (3) extracellular calcium is not required for TIH; and (4) TIH in boar spermatozoa is independent of PKA activity.
Analysis of polyamine biosynthetic- and transport ability of human indigenous Bifidobacterium
Authors: Sugiyama Yuta , Nara Misaki , Sakanaka Mikiyasu , Kitakata Aya , Okuda Shujiro , Kurihara Shin
Published: May 2018

Bifidobacteria are members of the human intestinal microbiota, being numerically dominant in the colon of infants, and also being prevalent in the large intestine of adults. In this study, we measured the concentrations of major polyamines (putrescine, spermidine, and spermine) in cells and culture supernatant of 13 species of human indigenous Bifidobacterium at growing and stationary phase. Except for Bifidobacterium bifidum and Bifidobacterium gallicum, 11 species contained spermidine and/or spermine when grown in Gifu-anaerobic medium (GAM). However, Bifidobacterium scardovii and Bifidobacterium longum subsp. infantis, which contain spermidine when grown in GAM, did not contain spermidine when grown in polyamine-free 199 medium. Of the tested 13 Bifidobacterium species, 10 species showed polyamine transport ability. Combining polyamine concentration analysis in culture supernatant and in cells, with basic local alignment search tool analysis suggested that novel polyamine transporters are present in human indigenous Bifidobacterium.

Abbreviations: Put: putrescine; Spd: spermidine; Spm: spermine; GAM: Gifu anaerobic medium; BHI: brain-heart infusion
In-process control of distortion in wire and arc additive manufacturing based on a flexible multi-point support fixture
Authors: Li Fang , Chen Shujun , Shi Junbiao , Zhao Yun
Published: May 2018

Distortion induced by non-uniform thermal gradients is one of the major constraints in wire and arc additive manufacturing. A novel flexible multi-point support fixture (FMSF) featured by reconfigured working surface and controllable restraining force is developed as an in-process distortion control technique. FMSF allows the distortion to be suppressed by adjusting the restraining force imposed onto the substrate dynamically as the number of layers increases. Both simulations and experiments are conducted to verify its effectiveness and compare it with other common restraint forms including clamping and pre-springing. The multi-layer deposition results show that a reduction of 96.3% in angular distortion and 86.5% in longitudinal bending distortion are obtained with FMSF, which exhibits great superiority over clamping and pre-springing.
GATOR1-dependent recruitment of FLCN–FNIP to lysosomes coordinates Rag GTPase heterodimer nucleotide status in response to amino acids
Authors: Meng Jin , Ferguson Shawn M.
Published: May 2018

Folliculin (FLCN) is a tumor suppressor that coordinates cellular responses to changes in amino acid availability via regulation of the Rag guanosine triphosphatases. FLCN is recruited to lysosomes during amino acid starvation, where it interacts with RagA/B as a heterodimeric complex with FLCN-interacting proteins (FNIPs). The FLCN–FNIP heterodimer also has GTPase-activating protein (GAP) activity toward RagC/D. These properties raised two important questions. First, how is amino acid availability sensed to regulate lysosomal abundance of FLCN? Second, what is the relationship between FLCN lysosome localization, RagA/B interactions, and RagC/D GAP activity? In this study, we show that RagA/B nucleotide status determines the FLCN–FNIP1 recruitment to lysosomes. Starvation-induced FLCN–FNIP lysosome localization requires GAP activity toward Rags 1 (GATOR1), the GAP that converts RagA/B to the guanosine diphosphate (GDP)-bound state. This places FLCN–FNIP recruitment to lysosomes under the control of amino acid sensors that act upstream of GATOR1. By binding to RagA/BGDP and acting on RagC/D, FLCN–FNIP can coordinate nucleotide status between Rag heterodimer subunits in response to changes in amino acid availability.
X-linked B-lymphocyte immune defect in CBA/HN mice. I. Studies of the function and composition of spleen cells.
Authors: Scher I , Ahmed A , Strong D M , Steinberg A D , Paul W E
Published: May 2018

A study of the composition and functional properties of spleen cells from the immune deficient CBA/HN mice and their F1 progeny is reported. While abnormalities were seen in both the numbers and function of thymus-independent (B) lymphocytes, all studies involving thymus-dependent (T) lymphocytes were normal. The X-linked nature of the immune defect in these mice was therefore attributed to abnormal or absent B lymphocytes. The possible nature of this defect and the similarity of the immune defect in these mice to certain human X-linked immunodeficiency diseases are discussed.
Functional heterogeneity of lymphocytic choriomeningitis virus-specfic T lymphocytes. I. Identification of effector amd memory subsets.
Authors: Johnson E D , Cole G A
Published: May 2018

At varying intervals after immunizing infections of adult BALB/c mice with lymphocytic choriomeningitis (LCM) virus, splenic lymphocytes were tested for their ability to either elicit acute LCM or protect against lethal intracerebral LCM virus challenge when transferred to syngeneic recipients that were, respectively, virus carriers induced by cyclophosphamide-induced immunosuppression and normal susceptible mice. These lymphocytes were also assayed for their capacity to lyse, in vitro, LCM virus-infected BALB 3T3 cells labeled with 51Cr. Only lymphocytes obtained from donor mice between 6 and 8 days postimmunization significantly protected normal recipients from the development of lethal central nervous system (CNS) disease when transferred 18-24 h before virus challenge. At 10 days they were not protective even though their cytolytic activity in vitro either exceeded or approximated that of protective lymphocytes. The capacity to protect more closely corresponded with a period of virus-induced DNA synthesis in donor spleens as measured by the incorporation of [5--125I]-2'-DEOXYURIDINe. However, none of these cytolytically active lymphocyte populations were effective in mediating acute CNS disease when transferred to virus-carrier mice. In contrast, lymphocytes obtained 18 days or later after primary immunization, although having no protective capacity and exhibiting minimal cytolytic activity in vitro, were able to regularly produce acute disease in virus-carrier mice. The ablation by anti-theta-serum treatment of these in vivo and in vitro virus-specific immune functions established that the relevant lymphoid cells were T lymphocytes. Similarly, reconstitution of C3H times C57BL F1 adult mice, depleted of lymphocytes by thymectomy and lethal irradiation, with syngeneic day 8 immune donor lymphocytes rendered them resistant to the development of the carrier state after intracerebral virus challenge; reconstitution of such animals with nonimmune lymphocytes restored their ability to develop typical LCM. Collectively, these data indicate that immunogenic stimulation with LCM virus leads to the development of at least two different virus-specific T-lymphocyte subsets: (a) an early appearing transient effector population of cells and, perhaps, their immediate precursors whose generation requires the presence of virus, and (b) a stable memory population that appears well after virus clearance and which has little or not no cytolytic activity. The possible mechanism by which these functionally different subsets can influence the outcome of acute or chronic LCM virus infections is discussed.