bluuebunny/crossref_metadata_2025 huggingface dataset:
Extraordinarily potent proinflammatory properties of lactoferrin-containing immunocomplexes against human monocytes and macrophages
Authors: Hu Lulu , Hu Xiaomin , Long Kai , Gao Chenhui , Dong Hong-Liang , Zhong Qiao , Gao Xiao-Ming , Gong Fang-Yuan
Published: June 2017

Lactoferrin (LTF), an important first line defense molecule against infection, is a common target for humoral autoimmune reactions in humans. Since LTF is a multifunctional protein capable of activating innate immune cells via various surface receptors, we hypothesized that LTF-containing immune complexes (ICs) (LTF-ICs), likely formed in patients with high titer anti-LTF autoantibodies, could possess unique monocyte/macrophage-activating properties compared with other ICs. ELISA analysis on serum samples from rheumatoid arthritis (RA) patients (n = 80) and healthy controls (n = 35) for anti-LTF autoantibodies confirmed a positive correlation between circulating LTF-specific IgG and RA. ICs between human LTF and LTF-specific IgG purified from patient sera or immunized rabbits and mice, but not control ICs, LTF or Abs alone, elicited strong production of TNF-α and IL-1β by freshly fractionated human peripheral blood monocytes and monocytes-derived macrophages. Furthermore, LTF-ICs utilized both membrane-anchored CD14 and CD32a (FcγRIIa) to trigger monocyte activation in an internalization-, Toll-like receptor (TLR)4- and TLR9-dependent manner, and also that LTF-IC-induced cytokine production was blocked by specific inhibitors of caspase-1, NF-κB and MAPK. These results uncover a possible pathway for LTF-ICs perpetuating local inflammation and contributing to the pathogenesis of autoimmune diseases by triggering activation of infiltrating monocytes or tissue macrophagesin vivo.
Gga-miR-219b targeting BCL11B suppresses proliferation, migration and invasion of Marek’s disease tumor cell MSB1
Authors: Zhao Chunfang , Li Xin , Han Bo , You Zhen , Qu Lujiang , Liu Changjun , Song Jiuzhou , Lian Ling , Yang Ning
Published: June 2017

Marek’s disease (MD), caused by Marek’s disease virus (MDV), is a lymphotropic neoplastic disease. Previous miRNAome analysis showed gga-miR-219b was significantly downregulated in MDV-induced lymphoma, and one of its potential target genes, B-cell chronic lymphocytic /lymphoma 11B (BCL11B) was predicted. In this study, we further investigated the function of gga-miR-219b, and the gain/loss of function assay showed gga-miR-219b inhibited cell migration and reduced cell proliferation by promoting apoptosis not by cell cycle arrest. Gga-miR-219b also suppressed expression of two cell invasion-related genes MMP2 and MMP9. The results indicated suppressive effect of gga-miR-219b on MD tumorigenesis. The gene BCL11B was verified as a direct target gene of gga-miR-219b. RNA interference was performed to block BCL11B. As expected, the effects triggered by BCL11B downregulation were in accordance with that triggered by gga-miR-219b overexpression, suggesting that BCL11B was a stimulative regulator of MD transformation. Moreover, both gga-miR-219b and BCL11B influenced the expression of Meq gene, the most important oncogene in MDV. Additionally, gene expression level of anti-apoptotic genes BCL2 and BCL2L1 was downregulated and pro-apoptotic gene TNFSF10 was upregulated in MSB1 cells with gga-miR-219b overexpression or BCL11B knockdown, which suggested gga-miR-219b promoted cell apoptosis via regulating gene expression in the apoptosis pathways.
Karst tiankengs as refugia for indigenous tree flora amidst a degraded landscape in southwestern China
Authors: Su Yuqiao , Tang Qiming , Mo Fuyan , Xue Yuegui
Published: June 2017

We conducted floristic and community analyses to compare the floristic composition, forest structure, taxonomic richness, and species diversity between two tiankeng (large doline, or sinkhole) habitats and two outside-tiankeng habitats of forest fragments in a degraded karst area in southwestern China. We found remarkably higher taxonomic richness in the tiankeng habitats than in the outside-tiankeng habitats at the species, generic, and familial levels. The inside-tiankeng habitats had higher floristic diversity but lower dominance. The remarkably higher uniqueness at all taxonomic levels and the much larger tree size in the two tiankeng habitats than in the outside-tiankeng habitats demonstrated the old-growth and isolated nature of the tiankeng flora. Plot-scale species richness, Shannon-Wiener index, Pielou’s evenness, and Berger-Parker dominance significantly differed across habitats. Heterogeneity in floristic composition at the species, generic, and familial levels was extremely significant across habitats. In pairwise comparisons, except for the Chuandong Tiankeng-Shenmu Tiankeng pair, all the pairs showed significant between-habitat heterogeneity in floristic composition. Our results suggest that as oases amidst the degraded karst landscape, tiankengs serve as modern refugia that preserve old-growth forest communities with their rich floristic diversity, and can provide a model for habitat conservation and forest restoration in that area.
Self-assembling soft structures for intracellular NO release and promotion of neurite outgrowth
Authors: Pal Hilal Ahmad , Mohapatra Saswat , Gupta Varsha , Ghosh Surajit , Verma Sandeep
Published: June 2017

A tryptophan-based peptide conjugate with a NO-release arm was designed, which self-assembles in solution to afford soft spherical structures. This conjugate releases NO in a controlled fashion in Neuro2a cell line, resulting in neurite outgrowth.
A gold nanoparticle-modified indium tin oxide microelectrode for in-channel amperometric detection in dual-channel microchip electrophoresis
Authors: Zhu Gangzhi , Song Qianhui , Liu Wenfang , Yan Xingxing , Xiao Jian , Chen Chuanpin
Published: June 2017

A modified indium tin oxide (ITO) microelectrode detector integrated with a dual-channel polydimethylsiloxane (PDMS) microchip is proposed for in-channel amperometric detection in microchip electrophoresis (ME).
On the effect of confined fluid molecular structure on nonequilibrium phase behaviour and friction
Authors: Ewen J. P. , Gattinoni C. , Zhang J. , Heyes D. M. , Spikes H. A. , Dini D.
Published: June 2017

Atomistic simulations and tribology experiments uncover the effect of molecular structure on the flow and friction behaviour of confined films under extreme conditions.
A systematic study of the influence of mesoscale structuring on the kinetics of a chemical reaction
Authors: Krickl Sebastian , Buchecker Thomas , Meyer Andreas Uwe , Grillo Isabelle , Touraud Didier , Bauduin Pierre , König Burkhard , Pfitzner Arno , Kunz Werner
Published: June 2017

In this contribution, we link the mesoscopic structuring of the binary structured solvent mixture H2O/tert-butanol (TBA) to the kinetics and efficacy of the oxidation of benzyl alcohol (BA) to the corresponding aldehyde catalyzed by H5PMo10V2O40.
Tuning interfacial complexation in aqueous two phase systems with polyelectrolytes and nanoparticles for compound all water emulsion bodies (AWE-somes)
Authors: Hann Sarah D. , Lee Daeyeon , Stebe Kathleen J.
Published: June 2017

Compound AWE-somes with tunable shells generated by aqueous interfacial complexation of a polycation with a polyanion and anionic nanoparticle mixture.
Synthesis and evaluation of oxindoles as promising inhibitors of the immunosuppressive enzyme indoleamine 2,3-dioxygenase 1
Authors: Paul Saurav , Roy Ashalata , Deka Suman Jyoti , Panda Subhankar , Srivastava Gopal Narayan , Trivedi Vishal , Manna Debasis
Published: June 2017

Structurally simple C3-substituted oxindoles showed inhibitory activity against the immunosuppressive indoleamine-2,3-dioxygenase-1 (IDO1) enzyme.
In vitro study of a glucose attached poly(aryl ether) dendron based gel as a drug carrier for a local anaesthetic
Authors: Kannan Ramya , Muthuvijayan Vignesh , Prasad Edamana
Published: June 2017

A poly(aryl ether) dendron based gelator as an efficient transdermal drug carrier for the controlled release of prilocaine hydrochloride.
Ferrocenyl benzimidazole with carboxylic and nitro anchors as potential sensitizers in dye-sensitized solar cells
Authors: Yadav Reena , Singh Amita , Kociok-Köhn Gabriele , Chauhan Ratna , Kumar Abhinav , Gosavi Suresh
Published: June 2017

Two ferrocenyl benzimidazoles with carboxylic and nitro anchors were prepared and their light harvesting properties explored in dye-sensitized solar cells (DSSCs).
Nanocrystalline cellulose mediated seed-growth for ultra-robust colorimetric detection of hydrogen sulfide
Authors: Jia Yuexiao , Guo Yongming , Wang Shiwen , Chen Wenwen , Zhang Jiangjiang , Zheng Wenshu , Jiang Xingyu
Published: June 2017

We describe an ultra-stable, ultra-robust, straightforward and low-cost approach for the colorimetric detection of H2S with nanocrystalline cellulose (NCC) based on the reaction of H2S with lead acetate.
Self-assembly of MoO3needles in gas current for cubic formation pathway
Authors: Ishizuka Shinnosuke , Kimura Yuki , Yokoi Satoki , Yamazaki Tomoya , Sato Rikako , Hama Tetsuya
Published: June 2017

The non-classical attachment growth of nanoparticles in vapor is a key for morphological evolution in the mesoscale.
Dissolution dynamics of a suspension droplet in a binary solution for controlled nanoparticle assembly
Authors: Lu Ziyang , Rezk Amgad , Jativa Fernando , Yeo Leslie , Zhang Xuehua
Published: June 2017

A sessile droplet comprising of a nanoparticle aqueous suspension in a binary solution exhibits interesting dissolution dynamics, which may be explored for the formation of toroidal or spherical nanocolloidal assemblies with highly ordered particle arrangement.
Fabrication of multi-stimuli responsive supramolecular hydrogels based on host–guest inclusion complexation of a tadpole-shaped cyclodextrin derivative with the azobenzene dimer
Authors: Wang Xing , Wang Juan , Yang Yanyu , Yang Fei , Wu Decheng
Published: June 2017

Multi-responsive supramolecular hydrogels, based on host–guest complexation of tadpole-shaped cyclodextrin with the azobenzene dimer, possess reversible sol–gel transition behaviors and better biocompatibility.
Chiroptical response inversion upon sample flipping in thin films of a chiral benzo[1,2-b:4,5-b′]dithiophene-based oligothiophene
Authors: Albano Gianluigi , Lissia Margherita , Pescitelli Gennaro , Aronica Laura Antonella , Di Bari Lorenzo
Published: June 2017

Our drop-casted films display linear dichroism-linear birefringence interference (LDLB effect) with strong CD signals, which are inverted upon sample flipping.
How do general chemistry students’ impressions, attitudes, perceived learning, and course performance vary with the arrangement of homework questions and E-text?
Authors: Williamson Vickie M. , Zumalt Caitlin J.
Published: June 2017

Two large sections of first-semester general chemistry were assigned to use different homework systems. One section used MindTap, a Cengage Learning product, which presents short sections of the textbook with embedded homework questions; such that students could read the textbook section then answer one or more questions in the same screen. The other section used Online Web Learning (OWL-version 2) also from Cengage Learning, which presents homework questions that contains links to open the textbook in a separate window. Findings showed no difference between the groups in any course grades, with both groups strongly indicating that they learned from their system. During a second-semester chemistry course taught by the same instructor, all students used OWLv2. At the end of the second semester, students who had used MindTap during the first semester were given a delayed survey, containing Likert-scaled and open-response questions dealing with students’ perceived learning/perceived level of understanding with each system, how easy each system was to use, and the advantages/disadvantages of each system. In addition, students were asked to compare the two systems giving their homework preference. Students were heavily positive towards the MindTap system. Further data was collected to compare students who used MindTap for the first semester and OWL for the second-semester with those who used the systems in reverse order, using the same survey. Results showed that students indicated significantly higher perceived learning with MindTap and better attitudes and opinions of MindTap, with its single window arrangement, often citing that they read more with MindTap.
Optimization of a compact layer of TiO2via atomic-layer deposition for high-performance perovskite solar cells
Authors: Shalan Ahmed Esmail , Narra Sudhakar , Oshikiri Tomoya , Ueno Kosei , Shi Xu , Wu Hui-Ping , Elshanawany Mahmoud M. , Wei-Guang Diau Eric , Misawa Hiroaki
Published: June 2017

Configuration of the perovskite solar cell and diagram of the mechanism of preparation of TiO2 using atomic-layer deposition.
A novel porous sulfonated poly(ether ether ketone)-based multi-layer composite membrane for proton exchange membrane fuel cell application
Authors: Jiang Yongyi , Hao Jinkai , Hou Ming , Hong Shaojing , Song Wei , Yi Baolian , Shao Zhigang
Published: June 2017

An advanced sulfonated poly(ether ether ketone) (sPEEK)-based multi-layer composite membrane with high performance and durability is fabricated, which consists of a porous sPEEK base membrane, two transition layers (TLs) and two PFSA outer layers (PLs).
A Neutral Metal-Free System for Head-to-Tail Dimerization of Electron-Rich Alkenes
Authors: Luo A-Yun , Bao Yan , Cheng Xiu-Fen , Wang Xi-Sheng
Published: June 2017

A neutral metal-free system for the head-to-tail dimerization of electron-rich alkenes with stoichiometric amount of BrCCl2H and NaI is reported. This reaction proceeds under mild conditions with high efficiency and broad scope.
Impact of Electronic Effects on the Nucleofugality of Leaving Groups
Authors: Denegri Bernard , Matić Mirela , Kronja Olga
Published: June 2017

A short review of the development of nucleofugality and electrofugality scales based on solvolysis rates of benzhydryl derivatives is presented. Accordingly, the rate of the heterolytic step in the SN1 displacement reaction and the leaving group ability (nucleofugality) in a given solvent are related with the special linear free-energy relationship (LFER) equation: log k = s
f (N
f + E
f). The impact of electronic effects in the leaving group (nucleofuge) on the overall SN1 reactivity of the substrate is given. The importance of inductivity, resonance, polarity and field effects in the leaving group moiety in the transition state is analyzed. Also, the effect of the negative hyperconjugation and the influence of other electronic effects in the leaving group on the height of the reaction intrinsic barrier are considered.

1 Introduction

2 Development of the Nucleofugality Scale

3 Inductive and Resonance Effects

4 Negative Hyperconjugation

5 Intrinsic Barrier

6 Conclusions
„Die Trockenheit der Gelenke ausgleichen“
Authors: Fahimi Farnaz
Published: June 2017

Die Arthrose wird aus ayurvedischer Perspektive den Vata-Erkrankungen zugeordnet. Das überschüssige Dosha zerstört demnach durch seine austrocknende, reibende und bewegliche Eigenschaft Gelenke und gelenkassoziierte Strukturen.

Die Ayurveda-Medizin bietet gerade bei chronischen Gelenkerkrankungen wie der Gonarthrose hervorragende Behandlungsmöglichkeiten. Die auf den Patienten individuell abgestimmte Therapie beinhaltet eine Komposition verschiedener Behandlungselemente, die auch den Patienten aktiv einbeziehen. Die Therapie besteht im Wesentlichen aus Ernährung, Ausleitung, Ölmassagen, Wärmeanwendungen, Phytotherapie und Verhaltensmodifikationen. Ein Fall aus der Praxis veranschaulicht das Vorgehen und die möglichen Therapieerfolge.
Two-color spatial and temporal temperature measurements using a streaked soft x-ray imager
Authors: Moore A. S. , Benstead J. , Ahmed M. F. , Morton J. , Guymer T. M. , Soufli R. , Pardini T. , Hibbard R. L. , Bailey C. G. , Bell P. M. , Hau-Riege S. , Bedzyk M. , Shoup M. J. , Regan S. P. , Agliata T. , Jungquist R. , Schmidt D. W. , Kot L. B. , Garbett W. J. , Rubery M. S. , Skidmore J. W. , Gullikson E. , Salmassi F.
Published: June 2017

A dual-channel streaked soft x-ray imager has been designed and used on high energy-density physics experiments at the National Ignition Facility. This streaked imager creates two images of the same x-ray source using two slit apertures and a single shallow angle reflection from a nickel mirror. Thin filters are used to create narrow band pass images at 510 eV and 360 eV. When measuring a Planckian spectrum, the brightness ratio of the two images can be translated into a color-temperature, provided that the spectral sensitivity of the two images is well known. To reduce uncertainty and remove spectral features in the streak camera photocathode from this photon energy range, a thin 100 nm CsI on 50 nm Al streak camera photocathode was implemented. Provided that the spectral shape is well-known, then uncertainties on the spectral sensitivity limits the accuracy of the temperature measurement to approximately 4.5% at 100 eV.
Recent developments of in-vessel calibration of mid-IR cameras at JET
Authors: Balboa I. , Silburn S. , Drewelow P. , Huber V. , Huber A. , Kinna D. , Price M. , Matthews G. F. , Collins S. , Fessey J. , Rack M. , Trimble P. , Zastrow K.-D.
Published: June 2017

Recent improvements in software tools and methodology have allowed us to perform a more comprehensive in-vessel calibration for all mid-infrared camera systems at JET. A comparison of experimental methods to calculate the non-uniformity correction is described as well as the linearity for the different camera systems. Measurements of the temperature are assessed for the different diagnostics.
Improving the off-axis spatial resolution and dynamic range of the NIF X-ray streak cameras (invited)
Authors: MacPhee A. G. , Dymoke-Bradshaw A. K. L. , Hares J. D. , Hassett J. , Hatch B. W. , Meadowcroft A. L. , Bell P. M. , Bradley D. K. , Datte P. S. , Landen O. L. , Palmer N. E. , Piston K. W. , Rekow V. V. , Hilsabeck T. J. , Kilkenny J. D.
Published: June 2017

We report simulations and experiments that demonstrate an increase in spatial resolution of the NIF core diagnostic x-ray streak cameras by at least a factor of two, especially off axis. A design was achieved by using a corrector electron optic to flatten the field curvature at the detector plane and corroborated by measurement. In addition, particle in cell simulations were performed to identify the regions in the streak camera that contribute the most to space charge blurring. These simulations provide a tool for convolving synthetic pre-shot spectra with the instrument function so signal levels can be set to maximize dynamic range for the relevant part of the streak record.
Geometric factors affecting capillary discharge jet length in atmospheric pressure air
Authors: Li Lee , Xiong Jiaming , Cheng Yong , Peng Mingyang , Pan Yuan
Published: June 2017

The capillary discharge triggered by a pulse source can produce a certain length of plasma jet. In this paper, the physical process of the capillary discharge jet is analyzed, and it is pointed out that the capillary plasma-jet length is significantly affected by the expansion pressure caused by the arc discharge in the capillary chamber. The greater the pressure in the capillary chamber is, the longer the jet length. The experimental setup of the capillary discharge is established in atmospheric pressure air. The influence of the surface distance along the capillary wall, the diameter of the capillary cathode, and the length of the cathode tip on the plasma-jet length is studied under a specific trigger pulse. The experimental results show that the greater the deposited energy density in the capillary chamber is, the longer the plasma jet length. As the surface distance increases, the energy deposited in the arc channel increases first and then tends to be saturated. There is an optimum surface distance to maximize the energy density in the capillary chamber, while the plasma jet length is the longest.
Low-order dynamical system model of a fully developed turbulent channel flow
Authors: Hamilton Nicholas , Tutkun Murat , Cal Raúl Bayoán
Published: June 2017

A reduced order model of a turbulent channel flow is composed from a direct numerical simulation database hosted at the Johns Hopkins University. Snapshot proper orthogonal decomposition (POD) is used to identify the Hilbert space from which the reduced order model is obtained, as the POD basis is defined to capture the optimal energy content by mode. The reduced order model is defined by coupling the evolution of the dynamic POD mode coefficients through their respective time derivative with a least-squares polynomial fit of terms up to third order. Parameters coupling the dynamics of the POD basis are defined in analog to those produced in the classical Galerkin projection. The resulting low-order dynamical system is tested for a range of basis modes demonstrating that the non-linear mode interactions do not lead to a monotonic decrease in error propagation. A basis of five POD modes accounts for 50% of the integrated turbulence kinetic energy but captures only the largest features of the turbulence in the channel flow and is not able to reflect the anticipated flow dynamics. Using five modes, the low-order model is unable to accurately reproduce Reynolds stresses, and the root-mean-square error of the predicted stresses is as great as 30%. Increasing the basis to 28 modes accounts for 90% of the kinetic energy and adds intermediate scales to the dynamical system. The difference between the time derivatives of the random coefficients associated with individual modes and their least-squares fit is amplified in the numerical integration leading to unstable long-time solutions. Periodic recalibration of the dynamical system is undertaken by limiting the integration time to the range of the sampled data and offering the dynamical system new initial conditions. Renewed initial conditions are found by pushing the mode coefficients in the end of the integration time toward a known point along the original trajectories identified through a least-squares projection. Under the recalibration scheme, the integration time of the dynamical system can be extended to arbitrarily large values provided that modified initial conditions are offered to the system. The low-order dynamical system composed with 28 modes employing periodic recalibration reconstructs the spatially averaged Reynolds stresses with similar accuracy as the POD-based turbulence description. Data-driven reduced order models like the one undertaken here are widely implemented for control applications, derive all necessary parameters directly from the input, and compute predictions of system dynamics efficiently. The speed, flexibility, and portability of the reduced order model come at the cost of strict data requirements; the model identification requires simultaneous realizations of mode coefficients and their time derivatives, which may be difficult to achieve in some investigations.
Structure and mobility of water confined in AlPO4-54 nanotubes
Authors: Gavazzoni Cristina , Giovambattista Nicolas , Netz Paulo A. , Barbosa Marcia C.
Published: June 2017

We performed molecular dynamics simulations of water confined within AlPO4-54 nanotubes. AlPO4-54 is an artificial material made of AlO4 and of PO4 in tetrahedra arranged in a periodic structure forming pores of approximately 1.3 nm in diameter. This makes AlPO4-54 an excellent candidate for practical applications, such as for water filtration and desalination. In this work, the structural and dynamical properties of the confined water are analyzed for various temperatures and water loadings. We find that the water structure is controlled by the heterogeneity of the nanopore surface with the water molecules located preferentially next to the surface of oxygens of AlPO4-54; consequently, at very low densities, water forms helicoidal structures in string-like arrangements.
A vacuum-sealed, gigawatt-class, repetitively pulsed high-power microwave source
Authors: Xun Tao , Fan Yu-wei , Yang Han-wu , Zhang Zi-cheng , Chen Dong-qun , Zhang Jian-de
Published: June 2017

A compact L-band sealed-tube magnetically insulated transmission line oscillator (MILO) has been developed that does not require bulky external vacuum pump for repetitive operations. This device with a ceramic insulated vacuum interface, a carbon fiber array cathode, and non-evaporable getters has a base vacuum pressure in the low 10−6 Pa range. A dynamic 3-D Monte-Carlo model for the molecular flow movement and collision was setup for the MILO chamber. The pulse desorption, gas evolution, and pressure distribution were exactly simulated. In the 5 Hz repetition rate experiments, using a 600 kV diode voltage and 48 kA beam current, the average radiated microwave power for 25 shots is about 3.4 GW in 45 ns pulse duration. The maximum equilibrium pressure is below 4.0 × 10−2 Pa, and no pulse shortening limitations are observed during the repetitive test in the sealed-tube condition.
Validating and implementing modified Filinov phase filtration in semiclassical dynamics
Authors: Church Matthew S. , Antipov Sergey V. , Ananth Nandini
Published: June 2017

The Mixed Quantum-Classical Initial Value Representation (MQC-IVR) is a recently introduced approximate semiclassical (SC) method for the calculation of real-time quantum correlation functions. MQC-IVR employs a modified Filinov filtration (MFF) scheme to control the overall phase of the SC integrand, extending the applicability of SC methods to complex systems while retaining their ability to accurately describe quantum coherence effects. Here, we address questions regarding the effectiveness of the MFF scheme in combination with SC dynamics. Previous work showed that this filtering scheme is of limited utility in the context of semiclassical wavepacket propagation, but we find that the MFF is extraordinarily powerful in the context of correlation functions. By examining trajectory phase and amplitude contributions to the real-time SC correlation function in a model system, we clearly demonstrate that the MFF serves to reduce noise by damping amplitude only in regions of highly oscillatory phase leading to a reduction in computational effort while retaining accuracy. Further, we introduce a novel and efficient MQC-IVR formulation that allows for linear scaling in computational cost with the total simulation length, a significant improvement over the more-than quadratic scaling exhibited by the original method.
Optical nanofiber-based cavity induced by periodic air-nanohole arrays
Authors: Li Wenfang , Du Jinjin , Truong Viet Giang , Nic Chormaic Síle
Published: June 2017

We experimentally realized an optical nanofiber-based cavity by combining a 1-D photonic crystal and Bragg grating structures. The cavity morphology comprises a periodic, triplex air-cube introduced at the waist of the nanofiber. The cavity has been theoretically characterized using finite-difference time-domain simulations to obtain the reflection and transmission spectra. We have also experimentally measured the transmission spectra, and a Q-factor of ∼784 ± 87 for a very short periodic structure has been observed. The structure provides strong confinement of the cavity field, and its potential for optical network integration makes it an ideal candidate for use in nanophotonic and quantum information systems.
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C
Authors: Witte Jonathon , Neaton Jeffrey B. , Head-Gordon Martin
Published: June 2017

With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which—when stripped of BSSE—is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals—such as B97M-V—to recover large-basis results at a fraction of the cost.
Modifications of the magnetization ordering in Co/Mo/Co layers by Ga+ ion irradiation
Authors: Wawro A. , Kurant Z. , Tekielak M. , Jakubowski M. , Pietruczik A. , Böttger R. , Maziewski A.
Published: June 2017

Molecular beam epitaxy-grown layered structures Co/Mo/Co exhibit an antiparallel coupling of Co films magnetization in the Mo spacer thickness range between 0.5 nm and 1.0 nm and parallel beyond this range. Magnetic properties are substantially modified by beam irradiation of 35 keV Ga+ ions. With the increase in ion fluence, antiparallel coupling switches to the parallel one. Further increase in fluence results in gradual suppression of ferromagnetic behavior of the system. Experimental results are correlated with numerical simulations of layered structure evolution driven by irradiation.
Transformation of Cadmium Tetracyanoquinodimethane (TCNQ) into a Cadmium Terephthalate Metal–Organic Framework
Authors: Sohail Manzar , Kiani Farooq Ahmad , Pandarinathan Vedapriya , Khan Safyan Akram , Carter Damien J. , De Marco Roland , Bond Alan M.
Published: June 2017

The transformation of cadmium 7,7,8,8-tetracyanoquinodimethane (TCNQ) into a cadmium terephthalate co-ordination polymer is reported, with the chemistry of this material elucidated using elemental analysis, X-ray photoelectron spectroscopy and synchrotron radiation single-crystal X-ray diffraction. A heptacoordinated CdII linear coordination polymer catena-poly[triaqua-(μ2-benzene-1,4-dicarboxylato-κO,O′)cadmium(ii)]hydrate (1) was isolated while attempting to recrystallize Cd(TCNQ)2. Density functional theory calculations for the oxidation of benzylic carbon attached to the cyano group provided evidence that the reaction pathway proposed herein is highly exergonic and thermodynamically plausible. This structure showed a distorted pentagonal bipyramidal geometry together with a symmetrical mononuclear unit in which each CdII ion is doubly bridged by a dicarboxylato anion. Owing to the softness and minute size of these crystals, this structure had to be elucidated using synchrotron radiation X-ray crystallography.
Examining Changes in Negative Mood Regulation Expectancies, Posttraumatic Stress Disorder, Depression, and Substance use following Integrated Cognitive-Behavioral Therapy
Authors: Siegel Emma Y. , Haller Moira , Cui Ruifeng , Trim Ryan S. , Tate Susan R. , Norman Sonya B.
Published: June 2017

Background

The comorbidity of depression, posttraumatic stress disorder (PTSD), and substance use disorder (SUD) is common among veterans. Some research indicates that poor expectancies for negative mood regulation (NMR) may be associated with depression, trauma symptoms, and substance abuse. However, little is known about whether NMR expectancies can be changed through psychotherapy and if so, whether changes in NMR expectancies are related to changes in depression, PTSD, and SUD.

Methods

Therefore, this study examined (1) whether NMR expectancies correlate with depression, PTSD, and SUD symptoms; (2) whether NMR expectancies improve after group integrated cognitive-behavioral therapy (ICBT); and (3) whether these changes were associated with improvements in depression, PTSD, and SUD symptoms in a sample of 123 veterans (89% male, 64% non-Hispanic Caucasian) recruited from a Department of Veteran Affairs (VA) Healthcare System.

Results

Findings indicated that (1) NMR expectancies were significantly associated with depression and PTSD symptoms but not substance use at baseline; (2) NMR expectancies significantly improved following group ICBT treatment; (3) following treatment, improvements in NMR expectancies were associated with decreases in depression and PTSD symptoms but were unrelated to changes in substance use outcomes; and (4) baseline NMR expectancies did not predict treatment outcomes. Similarly, pre-post NMR expectancies change scores were significantly associated with changes in depression and PTSD symptoms, but not percentage days using or percentage days heavy drinking.

Conclusions

In conclusion, this study suggests that group ICBT is associated with improvements in NMR expectancies among veterans with depression, PTSD, and SUD, which are associated with improvements in depression and PTSD symptoms.
High throughput nanoparticle tracking analysis for monitoring outer membrane vesicle production
Authors: Gerritzen Matthias J. H. , Martens Dirk E. , Wijffels René H. , Stork Michiel
Published: June 2017

Outer membrane vesicles (OMVs) are spherical membrane nanoparticles released by Gram‐negative bacteria. OMVs can be quantified in complex matrices by nanoparticle tracking analysis (NTA). NTA can be performed in static mode or with continuous sample flow that results in analysis of more particles in a smaller time‐frame. Flow measurements must be performed manually despite the availability of a sample changer on the NanoSight system. Here we present a method for automated measurements in flow mode. OMV quantification in flow mode results in lower variance in particle quantification (coefficient of variation (CV) of 6%, CV static measurements of 14%). Sizing of OMVs was expected to be less favorable in flow mode due to the increased movement of the particles. However, we observed a CV of 3% in flow mode and a CV of 8% in static measurements. Flow rates of up to 5 µL/min displayed correct size and particle measurements, however, particle concentration was slightly lower than in static measurements. The automated method was used to assess OMV release of batch cultures of Neisseria meningitidis. The bacteria released more OMVs in stationary growth phase, while the size of the vesicles remained constant throughout the culture. Taken together, this study shows that automated measurements in flow mode can be established with advanced scripting to reduce the workload for the user.
Final report on supplementary comparison APMP.M.P-S7.TRI in hydraulic gauge pressure from 40 MPa to 200 MPa
Authors: Kobata Tokihiko , Olson Douglas A , Eltawil Alaaeldin A
Published: June 2017

This report describes the results of a supplementary comparison of hydraulic high-pressure standards at three national metrology institutes (NMIs); National Metrology Institute of Japan, AIST (NMIJ/AIST), National Institute of Standards and Technology (NIST), USA and National Institute for Standards (NIS), Egypt, which was carried out at NIST during the period May 2001 to September 2001 within the framework of the Asia-Pacific Metrology Programme (APMP) in order to evaluate their degrees of equivalence at pressures in the range 40 MPa to 200 MPa for gauge mode. The pilot institute was NMIJ/AIST. Three working pressure standards from the institutes, in the form of piston-cylinder assemblies, were used for the comparison. The comparison and calculation methods used are discussed in this report. From the cross-float measurements, the differences between the working pressure standards of each institute were examined through an evaluation of the effective area of each piston-cylinder assembly with its uncertainty. From the comparison results, it was revealed that the values claimed by the participating institutes, NMIJ, NIST, and NIS, agree within the expanded (k = 2) uncertainties. The hydraulic pressure standards in the range 40 MPa to 200 MPa for gauge mode of the three participating NMIs were found to be equivalent within their claimed uncertainties.

Main text

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/.

The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Infinitely many moduli of stability at the dissipative boundary of chaos
Authors: Hazard P. , Martens M. , Tresser C.
Published: June 2017

In the family of area-contracting Hénon-like maps with zero topological entropy we show that there are maps with infinitely many moduli of stability. Thus one cannot find all the possible topological types for non-chaotic area-contracting Hénon-like maps in a family with finitely many parameters. A similar result, but for the chaotic maps in the family, became part of the folklore a short time after Hénon used such maps to produce what was soon conjectured to be the first non-hyperbolic strange attractor in

R

2

\mathbb {R}^2

. Our proof uses recent results about infinitely renormalisable area-contracting Hénon-like maps; it suggests that the number of parameters needed to represent all possible topological types for area-contracting Hénon-like maps whose sets of periods of their periodic orbits are finite (and in particular are equal to

{
1
,

2
,
…
,

2

n
−
1

}

\{1,\, 2,\dots ,\,2^{n-1}\}

or an initial segment of this

n
n

-tuple) increases with the number of periods. In comparison, among

C
k

C^k

-embeddings of the 2-disk with

k
≥
1

k\geq 1

, the maximal moduli number for non-chaotic but non-area-contracting maps in the interior of the set of zero-entropy is infinite.
An asymptotic equipartition property for measures on model spaces
Authors: Austin Tim
Published: June 2017

Let

G
G

be a sofic group, and let

Σ
=
(

σ
n

)

n
≥
1

\Sigma = (\sigma _n)_{n\geq 1}

be a sofic approximation to it. For a probability-preserving

G
G

-system, a variant of the sofic entropy relative to

Σ
\Sigma

has recently been defined in terms of sequences of measures on its model spaces that ‘converge’ to the system in a certain sense. Here we prove that, in order to study this notion, one may restrict attention to those sequences that have the asymptotic equipartition property. This may be seen as a relative of the Shannon–McMillan theorem in the sofic setting.

We also give some first applications of this result, including a new formula for the sofic entropy of a

(
G
×
H
)

(G\times H)

-system obtained by co-induction from a

G
G

-system, where

H
H

is any other infinite sofic group.
Generalized nil-Coxeter algebras over discrete complex reflection groups
Authors: Khare Apoorva
Published: June 2017

We define and study generalized nil-Coxeter algebras associated to Coxeter groups. Motivated by a question of Coxeter (1957), we construct the first examples of such finite-dimensional algebras that are not the “usual” nil-Coxeter algebras: a novel

2
2

-parameter type

A
A

family that we call

N

C
A

(
n
,
d
)

NC_A(n,d)

. We explore several combinatorial properties of

N

C
A

(
n
,
d
)

NC_A(n,d)

, including its Coxeter word basis, length function, and Hilbert–Poincaré series, and show that the corresponding generalized Coxeter group is not a flat deformation of

N

C
A

(
n
,
d
)

NC_A(n,d)

. These algebras yield symmetric semigroup module categories that are necessarily not monoidal; we write down their Tannaka–Krein duality.

Further motivated by the Broué–Malle–Rouquier (BMR) freeness conjecture [J. Reine Angew. Math. 1998], we define generalized nil-Coxeter algebras

N

C
W

NC_W

over all discrete real or complex reflection groups

W
W

, finite or infinite. We provide a complete classification of all such algebras that are finite dimensional. Remarkably, these turn out to be either the usual nil-Coxeter algebras or the algebras

N

C
A

(
n
,
d
)

NC_A(n,d)

. This proves as a special case—and strengthens—the lack of equidimensional nil-Coxeter analogues for finite complex reflection groups. In particular, generic Hecke algebras are not flat deformations of

N

C
W

NC_W

for

W
W

complex.
Capital Allocation and Productivity in South Europe*
Authors: Gopinath Gita , Kalemli-Özcan Şebnem , Karabarbounis Loukas , Villegas-Sanchez Carolina
Published: June 2017

Starting in the early 1990s, countries in southern Europe experienced low productivity growth alongside declining real interest rates. We use data for manufacturing firms in Spain between 1999 and 2012 to document a significant increase in the dispersion of the return to capital across firms, a stable dispersion of the return to labor, and a significant increase in productivity losses from capital misallocation over time. We develop a model with size-dependent financial frictions that is consistent with important aspects of firms’ behavior in production and balance sheet data. We illustrate how the decline in the real interest rate, often attributed to the euro convergence process, leads to a significant decline in sectoral total factor productivity as capital inflows are misallocated toward firms that have higher net worth but are not necessarily more productive. We show that similar trends in dispersion and productivity losses are observed in Italy and Portugal but not in Germany, France, and Norway.
Persistent hypothyroid symptoms in a patient with a normal thyroid stimulating hormone level
Authors: Jonklaas Jacqueline
Published: June 2017

Purpose of review

A subset of patients being treated for hypothyroidism do not feel well while taking levothyroxine (LT4) replacement therapy, despite having a normal serum thyroid stimulating hormone level. Pursuing a relative triiodothyronine deficiency as a potential explanation for patient dissatisfaction, has led to trials of combination therapy with liothyronine (LT3), with largely negative outcomes. This review attempts to reconcile these diverse findings, consider potential explanations, and identify areas for future research.

Recent findings

Patients being treated with LT4 often have lower triiodothyronine levels than patients with endogenous thyroid function. Linking patient dissatisfaction with low triiodothyronine levels has fueled multiple combination therapy trials that have generally not shown improvement in patient quality of life, mood, or cognitive performance. Some trials, however, suggest patient preference for combination therapy. There continues, moreover, to be anecdotal evidence that patients have fewer unresolved symptoms while taking combination therapy.

The 14 trials completed to date have suffered from employing doses of LT3 that do not result in steady triiodothyronine levels, and having insufficient power to analyze results based on baseline dissatisfaction with therapy and patient genotype. Future trials that are able to incorporate such features may provide insight into what thyroid hormone preparations will most improve patient satisfaction with therapy.
The New Parent Checklist
Authors: Keys Elizabeth M. , McNeil Deborah A. , Wallace Donna A. , Bostick Jason , Churchill A. Jocelyn , Dodd Maureen M.
Published: June 2017

Purpose:

To design and establish content and face validity of an evidence-informed tool that promotes parental self-reflection during the transition to parenthood.

Study Design and Methods:

The New Parent Checklist was developed using a three-phase sequential approach: Phase 1 a scoping review and expert consultation to develop and refine a prototype tool; Phase 2 content analysis of parent focus groups; and Phase 3 assessment of utility in a cross-sectional sample of parents completing the New Parent Checklist and a questionnaire.

Results:

The initial version of the checklist was considered by experts to contain key information. Focus group participants found it useful, appropriate, and nonjudgmental, and offered suggestions to enhance readability, utility, as well as face and content validity. In the cross-sectional survey, 83% of the participants rated the New Parent Checklist as “helpful” or “very helpful” and 90% found the New Parent Checklist “very easy” to use. Open-ended survey responses included predominantly positive feedback. Notable differences existed for some items based on respondents' first language, age, and sex. Results and feedback from all three phases informed the current version, available for download online.

Clinical Implications:

The New Parent Checklist is a comprehensive evidence-informed self-reflective tool with promising content and face validity. Depending on parental characteristics and infant age, certain items of the New Parent Checklist have particular utility but may also require further adaptation and testing. Local resources for information and/or support are included in the tool and could be easily adapted by other regions to incorporate their own local resources.
Epidemiology of Major Depressive Disorder Disability in the US Military
Authors: Packnett Elizabeth R. , Elmasry Hoda , Toolin Christine F. , Cowan David N. , Boivin Michael R.
Published: June 2017

This study assesses the incidence of major depressive disorder (MDD) disability discharge and retirement in the Army, Navy, Marine Corps and Air Force and describes MDD comorbidity. Service members with a disability discharge for either MDD (n = 2,882) or any nonpsychiatric disability (n = 56,145), between fiscal years 2007 and 2012, were included in the study population. Those with MDD disability at first evaluation but not at last evaluation were excluded. The incidence of MDD disability discharge increased significantly in the Army and Air Force between fiscal years 2007 and 2012. MDD disability retirement significantly increased in the Army, Navy, and Air Force. Females, and those who experienced at least one deployment, had higher incidence rates of MDD disability discharge. All services included spinal diseases and posttraumatic stress disorder in their top five comorbid categories. Given the association between trauma and MDD, further research into the role of both combat exposure and injury on MDD is merited.
Prevalence and Risk Factors for Rectal and Urethral Sexually Transmitted Infections From Self-Collected Samples Among Young Men Who Have Sex With Men Participating in the Keep It Up! 2.0 Randomized Controlled Trial
Authors: Mustanski Brian , Feinstein Brian A. , Madkins Krystal , Sullivan Patrick , Swann Gregory
Published: June 2017

Background

Despite recommendations that sexually active men who have sex with men be regularly tested for sexually transmitted infections (STIs) and that testing reflect anatomical sites of potential exposure, regular testing is not widely performed, especially for rectal STIs. As such, little is known about the prevalence of rectal and urethral STIs among young men who have sex with men (YMSM).

Methods

The current study examined the prevalence and risk factors for rectal and urethral chlamydia and gonorrhea in a sample of 1113 YMSM ages 18 to 29 years (mean, 24.07 years). Before participating in a randomized controlled trial for an online human immunodeficiency virus prevention program (Keep It Up! 2.0), participants completed self-report measures and self-collected urine and rectal samples. Participants mailed samples to a laboratory for nucleic acid amplification testing. Viability of self-collected samples was examined as a potential method to increase STI screening for MSM without access to STI testing clinics.

Results

Results indicated that 15.1% of participants tested positive for an STI, 13.0% for a rectal STI, 3.4% for a urethral STI, and 1.2% for both rectal and urethral STIs. Rectal chlamydia was significantly more common (8.8%) than rectal gonorrhea (5.0%). Rectal STIs were higher among black YMSM compared with white YMSM. Additionally, rectal STIs were positively associated with condomless receptive anal sex with casual partners.

Conclusions

Findings call attention to the need for health care providers to test YMSM for rectal STIs. This study also demonstrates the viability of including self-collected samples for STI testing in an eHealth program.