bluuebunny/crossref_metadata_2025_split huggingface dataset:
Single crystals of guanidinium zinc sulfate, [C(NH2)3]2Zn(SO4)2 – growth, structure, vibrational spectroscopy and stimulated Raman scattering
Authors: Bohatý Ladislav , Becker Petra , Haussühl Eiken , Němec Ivan , Lux Oliver , Joachim Eichler Hans , Yoneda Hitoki , Shirakawa Akira , Kaminskii Alexander A. 
Published: May 2015

Abstract
Large single crystals of the tetragonal (space group I4̅2d) guanidinium zinc sulfate, [C(NH2)3]2Zn(SO4)2, were grown and the crystal structure was redetermined. Vibrational spectra obtained by Raman and IR investigations are presented, together with an assignment of the observed vibration modes. Precise refractive index data in the wavelength range from 0.365 to 1.083 μm are given. [C(NH2)3]2Zn(SO4)2 is introduced as a new stimulated Raman scattering (SRS)-active crystal with three SRS-active vibration modes with ω
SRS1 ≈ 985 cm–1, ω
SRS2 ≈ 3390 cm–1 and ω
SRS3 ≈ 1015 cm–1. They allow for the generation of broadband nonlinear emission via χ
(3)- (SRS and Raman-induced four wave mixing, RFWM) as well as cascaded χ
(2)↔χ
(3)- processes.
Brain Dynamics of Aging: Multiscale Variability of EEG Signals at Rest and during an Auditory Oddball Task
Authors: Sleimen-Malkoun Rita , Perdikis Dionysios , Müller Viktor , Blanc Jean-Luc , Huys Raoul , Temprado Jean-Jacques , Jirsa Viktor K. 
Published: May 2015

AbstractThe present work focused on the study of fluctuations of cortical activity across time scales in young and older healthy adults. The main objective was to offer a comprehensive characterization of the changes of brain (cortical) signal variability during aging, and to make the link with known underlying structural, neurophysiological, and functional modifications, as well as aging theories. We analyzed electroencephalogram (EEG) data of young and elderly adults, which were collected at resting state and during an auditory oddball task. We used a wide battery of metrics that typically are separately applied in the literature, and we compared them with more specific ones that address their limits. Our procedure aimed to overcome some of the methodological limitations of earlier studies and verify whether previous findings can be reproduced and extended to different experimental conditions. In both rest and task conditions, our results mainly revealed that EEG signals presented systematic age-related changes that were time-scale-dependent with regard to the structure of fluctuations (complexity) but not with regard to their magnitude. Namely, compared with young adults, the cortical fluctuations of the elderly were more complex at shorter time scales, but less complex at longer scales, although always showing a lower variance. Additionally, the elderly showed signs of spatial, as well as between, experimental conditions dedifferentiation. By integrating these so far isolated findings across time scales, metrics, and conditions, the present study offers an overview of age-related changes in the fluctuation electrocortical activity while making the link with underlying brain dynamics.
Resequencing at ≥40-Fold Depth of the Parental Genomes of a Solanum lycopersicum × S. pimpinellifolium Recombinant Inbred Line Population and Characterization of Frame-Shift InDels That Are Highly Likely to Perturb Protein Function
Authors: Kevei Zoltan , King Robert C , Mohareb Fady , Sergeant Martin J , Awan Sajjad Z , Thompson Andrew J 
Published: May 2015

Abstract
A recombinant in-bred line population derived from a cross between Solanum lycopersicum var. cerasiforme (E9) and S. pimpinellifolium (L5) has been used extensively to discover quantitative trait loci (QTL), including those that act via rootstock genotype, however, high-resolution single-nucleotide polymorphism genotyping data for this population are not yet publically available. Next-generation resequencing of parental lines allows the vast majority of polymorphisms to be characterized and used to progress from QTL to causative gene. We sequenced E9 and L5 genomes to 40- and 44-fold depth, respectively, and reads were mapped to the reference Heinz 1706 genome. In L5 there were three clear regions on chromosome 1, chromosome 4, and chromosome 8 with increased rates of polymorphism. Two other regions were highly polymorphic when we compared Heinz 1706 with both E9 and L5 on chromosome 1 and chromosome 10, suggesting that the reference sequence contains a divergent introgression in these locations. We also identified a region on chromosome 4 consistent with an introgression from S. pimpinellifolium into Heinz 1706. A large dataset of polymorphisms for the use in fine-mapping QTL in a specific tomato recombinant in-bred line population was created, including a high density of InDels validated as simple size-based polymerase chain reaction markers. By careful filtering and interpreting the SnpEff prediction tool, we have created a list of genes that are predicted to have highly perturbed protein functions in the E9 and L5 parental lines.
Comparative Analysis ofWolbachiaGenomes Reveals Streamlining and Divergence of Minimalist Two-Component Systems
Authors: Christensen Steen , Serbus Laura Renee 
Published: May 2015

AbstractTwo-component regulatory systems are commonly used by bacteria to coordinate intracellular responses with environmental cues. These systems are composed of functional protein pairs consisting of a sensor histidine kinase and cognate response regulator. In contrast to the well-studied Caulobacter crescentus system, which carries dozens of these pairs, the streamlined bacterial endosymbiont Wolbachia pipientis encodes only two pairs: CckA/CtrA and PleC/PleD. Here, we used bioinformatic tools to compare characterized two-component system relays from C. crescentus, the related Anaplasmataceae species Anaplasma phagocytophilum and Ehrlichia chaffeensis, and 12 sequenced Wolbachia strains. We found the core protein pairs and a subset of interacting partners to be highly conserved within Wolbachia and these other Anaplasmataceae. Genes involved in two-component signaling were positioned differently within the various Wolbachia genomes, whereas the local context of each gene was conserved. Unlike Anaplasma and Ehrlichia, Wolbachia two-component genes were more consistently found clustered with metabolic genes. The domain architecture and key functional residues standard for two-component system proteins were well-conserved in Wolbachia, although residues that specify cognate pairing diverged substantially from other Anaplasmataceae. These findings indicate that Wolbachia two-component signaling pairs share considerable functional overlap with other α-proteobacterial systems, whereas their divergence suggests the potential for regulatory differences and cross-talk.
Global dynamics of a class of HIV-1 infection models with latently infected cells
Authors: Wang Haibin , Xu Rui , Wang Zhaowei , Chen Hui 
Published: May 2015

In this paper, the global dynamics of a class of HIV-1 infection models with different infection rates and latently infected cells are investigated. We first modify the basic virus infection model and propose two models with bilinear infection rate and saturation infection rate, respectively, which take HIV-1 latency into consideration, and then study a model with a general nonlinear infection rate. By using proper Lyapunov functions and LaSalle's invariance principle, it is proved that in the first two models, if the basic reproduction ratio is less than unity, each of the infection-free equilibria is globally asymptotically stable; if the basic reproduction ratio is greater than unity, each of the chronic-infection equilibria is globally asymptotically stable. For the last model with general nonlinear infection rate, we obtain sufficient conditions for the global stability of both the infection-free and chronic-infection equilibria of the model.
Symbolic computation of exact solutions for fractional differential-difference equation models
Authors: Aslan Ismail 
Published: May 2015

The aim of the present study is to extend the G'/G-expansion method to fractional differential-difference equations of rational type. Particular time-fractional models are considered to show the strength of the method. Three types of exact solutions are observed: hyperbolic, trigonometric and rational. Exact solutions in terms of topological solitons and singular periodic functions are also obtained. As far as we are aware, our results have not been published elsewhere previously.
Care Coordination Over Time in Medical Homes for Children With Special Health Care Needs
Authors: Van Cleave Jeanne , Boudreau Alexy Arauz , McAllister Jeanne , Cooley W. Carl , Maxwell Andrea , Kuhlthau Karen 
Published: May 2015

OBJECTIVES:
To explore how care coordination changes conceptually and practically in primary care practices when implementing the medical home and to identify reasons for different types of changes.

METHODS:
Six years after a 2003–2004 national learning collaborative to implement the medical home model for children with special health care needs, we examined care coordination in 12 pediatric practices with the highest postintervention Medical Home Index scores, indicating high level of adoption of the model. Data included interviews of 48 clinicians, care coordinators, and parents and medical record reviews of 60 patients with special health care needs receiving care in these practices.

RESULTS:
Initially, care coordination activities were prompted by patients’ acute problems, and over time activities, tools, and policies were implemented to avert many such problems and expand the scope of services offered to patients. Example activities were making previsit calls with families, writing care plans, developing relationships with community agencies, and tracking referrals. Although some activities were common across practices, the persons involved and efforts toward different activities varied with practice context. Drivers included motivation and creativity of medical home teams, organizational changes, funding to expand care coordinator positions, protected time for such activities, and adoption of electronic record systems.

CONCLUSIONS:
In high-performing medical homes, care coordination activities changed from being mostly reactive to patients’ episodic needs to being more systematically proactive and comprehensive. This shift was promoted by factors external and internal to the practice. Ensuring these factors in medical home implementation may accelerate adoption of proactive care coordination activities.
Reflections on Kant’s View of the Imagination
Authors: Ayas Onol Tugba 
Published: May 2015

<p>The paper elaborates the theory of imagination in Immanuel Kant’s <em>Critique of Pure Reason</em> and <em>Critique of Judgment</em>. From the first <em>Critique</em> to the third <em>Critique</em>, the imagination emerges under different titles such as reproductive, productive or transcendental imagination. The paper shall try to decide whether its <em>functions</em> suggested in the first <em>Critique</em> and its performance in the third <em>Critique</em> are <em>contradictory or developmental</em> with respect to Kant’s critical philosophy. Thus, it will examine of the power and the scope of the imagination in the first<em> Critique</em> and of its status and performance in the third <em>Critique. </em></p><p> </p>
Computational modeling of bacteriophage self-assembly during formation of hierarchical structures
Authors: Warner Christopher M , Isayev Olexandr , Poda Aimee R. , Cuddy Michael F. , Hodo Wayne D , Lee Seung-Wuk , Perkins Edward J 
Published: May 2015

ABSTRACTDesigning new materials with well-defined structures and desired functions is a challenge in materials science, especially with nanomaterials. Nature, however, solves design of these materials through a self-assembling, hierarchically ordered process. We have investigated the mechanisms by which the high- aspect ratio and unique surface chemistry of M13 bacteriophage can give rise to increasingly complex, hierarchically ordered, bundled phage structures with a wide range of material applications. A molecular dynamic simulation of the 3-D structure of a 20-nm section of wild type (WT) and mutant phage types were developed based on WT phage crystal structure and ab initio calculations. Simulations of these phage were then used to examine repulsive and attractive forces of the particles in solution. Examination of contact interactions between two WT phage indicated the phage were maximally attracted to each other in a head to tail orientation. A mutant phage (4E) with a higher negative surface charge relative to WT phage also preferentially ordered head to tail in solution. In contrast, a mutant phage (CLP8) with a net positive surface charge had minimal repulsion in a 90° orientation. Understanding the self-assembly process through molecular dynamic simulations and decomposition of fundamental forces driving inter- and intra-strand interactions has provided a qualitative assessment of mechanisms that lead to hierarchical phage bundle structures. Results from simulation agree with experimentally observed patterns from self-assembly. We anticipate using this system to further investigate development of hierarchical structures not only from biological molecules but also from synthetic materials.
Model Neural Membrane Droplet Interface Bilayers from Brain Total Lipid Extract for Studying Membrane-Peptide Interactions with Amyloid-β
Authors: Taylor Graham J. , Sarles Stephen A. 
Published: May 2015

ABSTRACTDroplet interface bilayers (DIBs) are formed using brain total lipid extract (BTLE) to create a synthetic bilayer whose lipid composition mimics that of neural cells. The electrical properties of BTLE DIBs, specifically membrane resistance, capacitance, and rupture potential, are determined and compared to the properties of bilayers formed using DPhPC, the most common lipid within the growing DIB field. There is no significant difference in the resistance or rupture potential of BTLE and DPhPC bilayers, for instance with average nominal resistance over 200 GΩ and rupture potential around 200 mV. In electrical measurements with either DPhPC or BTLE bilayers, applied voltages of up to ±150 mV yield low levels of leakage current. Upon interaction with the pore-forming amyloid-beta (Aβ) peptide, both bilayers display sudden significant voltage-dependent increases in conductance with characteristic threshold voltages well below 150 mV. Discrete single-channel type events are observed in the case of Aβ-BTLE whereas disordered fluctuating conductance is observed with Aβ-DPhPC. Circular dichroism is measured for Aβ incubated with BTLE and DPhPC liposomes, as well as pure Aβ, at a range of temperatures over a period of several weeks. Changes in secondary structure of liposome-bound and pure Aβ are significantly affected by both lipid type and temperature. A key finding includes the 100% conversion of Aβ to alpha-helical confirmation within 24 hours when incubated with liposomes (of either type) at physiologically relevant 37°C. The 100% alpha-helical Aβ is maintained for up to 2 weeks at 37°C when incubated with liposomes, although other structures begin to emerge after the 14 day mark. Between 14-31 days after reconstitution, Aβ incubated at 37C with BTLE bilayers displays longer lasting alpha-helical content than DPhPC. At the same temperature, pure Aβ is 100% alpha helical only at the 1 day mark with apparent restructuring from day 2 through day 31. Refrigerated Ab samples do not display 100% alpha-helical structure across the entire 31 day testing period. The differences observed between BTLE and DPhPC in both electrophysiological and spectroscopic experiments may be a result of phase separations or other variations in membrane fluidity that result from the use of a homogeneous total lipid extract. Time and temperature play essential roles in the aggregation and restructuring of potentially toxic Aβ oligomers, and there is motivation for further efforts to elicit the mechanistic differences in interactions of Ab with BTLE compared to DPhPC.
Inkjet Printing of Functionalized TiO2Catalytic Layer for Water Oxidation Reaction
Authors: Treekamol Y. , Lehmann D. , Schieda M. , Herrmann-Geppert I. , Klassen T. 
Published: May 2015

ABSTRACTOur investigations with silane-modified TiO2have revealed a beneficial effect of functionalization on the photoelectrochemical performance on spin-coated electrodes. However, in order to produce large area photoelectrodes, a more scalable manufacturing technology is required. Inkjet printing can fulfil this role and furthermore allow a finer control over coating morphologies. In this work, inkjet-printed photoelectrodes were prepared with silane-functionalized TiO2nanoparticles, and investigated as electrodes for photoactivated water splitting. The catalyst layers, having thickness around 700 nm, were printed on FTO-coated glass supports, from cellulose stabilized dispersions. For comparison, electrodes of similar thicknesses were also prepared by spin-coating. After removing the stabilizer at 300 °C under air atmosphere, the electrodes were characterized in photoelectrochemical cells containing 0.5 M H2SO4as electrolyte and a platinum ring as counter electrode. Under simulated sunlight, the best photocurrent densities for the oxygen evolution reaction were obtained for the inkjet-printed electrodes prepared with functionalized particles (up to 0.26 mA cm-2at 1.2 V against the standard hydrogen electrode (SHE), compared to 0.18 mA cm-2for spin coated). Microscopy of the printed electrodes shows structurally homogenous coatings with evenly distributed roughness. Under continuous illumination at 0.7 V (SHE), the electrodes showed no significant drop in photocurrent within five hours.
Colloidal copper sulfide nanocrystals: Electrochemical, electrical and morphological properties
Authors: Baray-Calderón Alejandro , Galindo R. , Maldonado. J. L , Martínez-Alvarez Omar , Acosta-Torres L.S. , Santos-Cruz José , de la Fuente-Hernández J. , Arenas-Arrocena M.C. 
Published: May 2015

ABSTRACTThe highlight of this work is the synthesis of copper sulfide nanocrystals by a simple one-pot colloidal process, and the study of its electrochemical, electrical and morphological properties. Nanocrystals of Cu1.8S of about 15-30 nm were obtained at a temperature of 240°C under an argon atmosphere. The colloidal solution of the nanocrystals was analyzed by cyclic voltammetry. Agreeing to the values of EOx and ERedvs. SCE, and the average of three samples the HOMO and LUMO levels are 6.16 and 4.27 eV, respectively, the calculated HOMO – LUMO (Eg) is 1.89 eV. The Eg value, differs of that value obtained from Kubelka-Munk equation (1.7 eV). The photocurrent vs. time results showed that the Cu1.8S/Cu junction is photosensitive and could be used as absorbing material. The morphology and the topography of the film were analyzed by SEM and AFM techniques. Irregular agglomeration of nanocrystals was observed and a roughness of about 194 nm.
Alternative Etching for Improved Cu-rich CuInSe2 Solar Cells
Authors: Deprédurand Valérie , Bertram Tobias , Thévenin Maxime , Valle Nathalie , Audinot Jean-Nicolas , Siebentritt Susanne 
Published: May 2015

ABSTRACTTwo alternative chemical etchings (aqueous solution of bromine and bromine methanol solution) have been here tested to replace the KCN etching step in Cu-rich CuInSe2 based solar cells fabrication process. This new oxidative etch aims also at smoothing and thinning the as-grown films. This directly affects the interface between the absorber and the CdS buffer, interface which causes problems for Cu-rich solar cells. We present here the effect of these two alternative etchings on both the absorber surface and the solar cells parameters: whereas the bromine methanol etching destroys the solar cell, the aqueous solution of bromine leads to an improvement of the device through reduced interface and tunneling enhanced recombination.
The Influence of Thermal Treatment on Monocrystalline CZT and Tellurium Inclusions
Authors: Lassiter Jonathan , Payton Charles , Jackson Maxx , Uba Samuel , Muntele Claudiu , Babalola Stephen 
Published: May 2015

ABSTRACTCadmium Zinc Telluride (CZT), considered as a viable material for use in room temperature radiation detectors, has an undesired presence of tellurium inclusions in the bulk. Thermal treatment, in the form of annealing, has been utilized to test the viability of refining CZT into better detector material, either by the elimination of the tellurium inclusions or by the migration of the inclusions under a temperature gradient, but usually with a deterioration of electrical properties. We took infrared micrographs and current voltage (IV) characteristics of CZT samples prior to thermal treatment. We carried out 24-hour thermal treatments with a range of temperature from 100°C to 700°C to determine an optimal annealing temperature and to verify changes in the sizes, morphologies, and locations of the tellurium inclusions on the surfaces and within the crystal bulk of the CZT. The IV curves and resistivities prior to and after thermal treatments were compared, as were the infrared micrographs before and after annealing. Also, the changes in electrical properties of the samples with annealing conditions were compared against structural changes monitored at the same steps during the annealing process, in order to understand the effects of the thermal annealing to the radiation detector properties of the material. Correlations between the shape, size and position of inclusions and electrical properties of the material were attempted.