Miracle-dz/UniFAR-FTUs huggingface dataset:
Immunantwort und klinisches Erscheinungsbild bei Infektionen mit dem Humanen Metapneumovirus, Respiratory Syncytial Virus und Rhinovirus im Kindesalter

Virusinfektionen des Respirationstraktes sind eine der haufigsten Krankheits- und Todesursachen im Kindesalter. Eine Vielzahl humanpathogener Viren ist bereits seit Jahrzehnten bekannt, das humane Metapneumovirus (HMPV) wurde jedoch erst im Jahre 2001 entdeckt. Die vorliegende Dissertation beschaftigt sich zum einem mit dem Nachweis verschiedener Subtypen des HMPV sowie mit dem Vergleich der Immunantwort und der Schwere des klinischen Verlaufs zwischen HMPV-, RSV- und Rhinovirusinfektionen. Ein phylogenetischer Stammbaum der HMPV-positiven Proben konnte mittels einer RT-PCR und anschliesender Sequenzierung des N-Gens erstellt werden. Im Untersuchungskollektiv konnten alle vier Subtypen des HMPV nachgewiesen werden mit einer deutlichen Pradominanz des Subtyps B1 (80% der Proben). Daruber hinaus wurden Zytokin-ELISA fur die Detektion von IL-8, GCSF und TNF-α, sowie Immunfluoreszenztests zur Messung von IgG und IgA der untersuchten drei Viren im Nasopharynxaspirat etabliert. Im Vergleich der drei Kollektive zeigte sich, dass die Viruslast bei RSV- und HMPV-Infektionen annahernd gleich und statistisch signifikant oberhalb derer von Rhinovirusinfektionen lag (analog zu der IL-8-Konzentration). Die Diagnose eines schweren Atemwegsinfektes war bei RSV am haufigsten (80%), gefolgt von Rhinovirus (56.6%) und HMPV (46.6%). Die Fieberwerte der RSV- und HMPV-Gruppe waren fast gleich und lagen statistisch signifikant uber denen der Rhinovirusgruppe. Im Gegensatz dazu hatten Kinder mit einer Rhinovirusinfektion hohere Leukozytenwerte gegenuber denen mit einer HMPV oder RSV-Infektion. Anhand von sequentiellen Proben von HMPV erkrankten Kindern konnte gezeigt werden, dass in einem relativ kurzem Zeitraum von ca. 4 Tagen die Viruslast abfallt, die IL-8-Konzentration jedoch konstant bleibt Die saisonale Verteilung der Infektionen ergab folgendes Bild: RSV und HMPV-Infektion kamen im Winter und Fruhjahr deutlich gehauft vor, wahrend Rhinovirusinfektionen uber das ganze Jahr mit einer zusatzlichen Haufung in den kalten Monaten zu finden waren. Zusammenfassend kann man sagen, dass RSV, HMPV sowie Rhinovirusinfektionen im Einzelfall weder klinisch noch durch Routine-Laborparameter unterscheidbar sind, sich aber bei vergleichender Betrachtung der Kollektive einige signifikante Unterschiede nachweisen lassen. Klar zu unterscheiden sind diese Infektionen nur durch den spezifischen Virusnachweis, der heutzutage meist mit Hilfe molekularer Diagnostik erfolgt.
The Measurement of Sulfur Oxidation Products and Their Role in Homogeneous Nucleation

An improved version of a transverse ion source was developed which uses selected ion chemical ionization mass spectrometry techniques inside of a particle nucleation flow tube. These new techniques are very unique, in that the chemical ionization is done inside of the flow tube rather than by having to remove the compounds and clusters of interest which are lost on first contact,with any surfaces. The transverse source is also unique because it allows the ion reaction time to be varied over more than an order of magnitude, which in turn makes possible the separation of ion induced cluster growth from the charging of preexisting molecular clusters. As a result of combining these unique capabilities, the first ever measurements of prenucleation molecular clusters were performed. These clusters are the intermediate stage of growth in the gas-to-particle conversion process. This new technique provides a means of observing clusters containing 2, 3, 4, . and up to about 8 sulfuric acid molecules, where the critical cluster size under these measurement conditions was about 4 or 5. Thus, the nucleation process can now be directly observed and even growth beyond the critical cluster size can be investigated. The details of this investigation are discussed in a recently submitted paper, which is included as Appendix A. Measurements of the diffusion coefficient of sulfuric acid and sulfuric acid clustered with a water molecule have also been performed. The measurements are also discussed in more detail in another recently submitted paper which is included as Appendix B. The empirical results discussed in both of these papers provide a critical test of present nucleation theories. They also provide new hope for resolving many of the huge discrepancies between field observation and model prediction of particle nucleation. The second part of the research conducted under this project was directed towards the development of new chemical ionization techniques for measuring sulfur oxidation products.
Degradation of functionalized alkanethiolate monolayers by 0-18 eV electrons

Electron stimulated desorption of neutral molecular fragments is used to study degradation of ordered organic thin films under low-energy (0–18 eV) electron impact, and total electron doses ranging between 180–550 μC/cm2. Different saturated linear thiols HS(CH2)nX (n=2 or 15, and X=CH3 or COOH) are adsorbed from solution onto a gold surface to produce a self-assembled monolayer (SAM). Here, we present yield function measurements for electron stimulated desorption of moities such as H2, CH3, CH3CH2, CH3CH2CH2, CO, and CO2 from such thin chemisorbed films. For CH3-terminated SAMs, neutral fragment desorption thresholds lie between 5–7 eV, whereas for COOH-terminated SAMs, desorption thresholds as low as 0.2 and 3–5 eV are observed. The results suggest that the incident electrons interact with functional groups localized at the film–vacuum interface, which then leads to predominantly methyl group C–H, and C–COOH bond cleavage. In addition to nonresonant degradation mechanisms, which vary monotonically from .
ISOLASI DAN AKTIVITAS PENSTABIL OKSIGEN SINGLET FRAKSI FENOLIK DARI EKSTRAK ANDALIMAN (Zanthoxylum acanthopodium DC.) Isolation and Singlet Oxygen Quenching Activities of Phenolic Fractions from Andaliman Extract (Zanthoxylum acanthopodium DC.)

The objectives of this study was to isolate the different phenolic fractions present in andaliman extract and to determinetheir singlet oxygen quenching activities. Andaliman fruit was sequentially extracted with hexane, acetone and ethanol (1:5) for 24 hours, respectively. The extracts of andaliman fruit were further separated by gradient elution methods with column chromatography, using ethyl acetate­methanol as mobile phase and silica gel G­60 as stationary phase. Singlet oxygen quenching activities was examined using linoleic acid as substrates each containing 100 ppm eryth- rosine as a photosensitizer. The active fractions were characterized by IR and UV spectrometry techniques. Fraction II was discovered having properties as quencher of singlet oxygen effectively as well as fraction III. The quenching effect of fractions II and III were much higher than that of α­tocopherol (p<0.05). The fraction II was identified by IR spec- trometry, and the sample showed that strongest absorption at 3356 cm-1 indicating hydroxyl group from the phenolic compounds and the UV spectra showed that data of active fractions indicated an absorption maximum were 204, 221 and 272 nm, respectively. The conclusion was that fractions component of andaliman extract showing singlet oxygen quenching activity was a component having phenolic group. ABSTRAK Tujuan penelitian ini adalah untuk mengisolasi perbedaan fraksi fenolik yang terdapat pada ekstrak andaliman dan menentukan aktivitas penstabilan oksigen singlet. Buah andaliman diekstraksi secara berturut­turut dengan heksana, aseton dan etanol (1:5) selama 24 jam. Ekstrak buah andaliman selanjutnya dipisahkan dengan metode elusi gradien dengan kromatografi kolom menggunakan etil asetat­metanol sebagai fasa gerak dan silika gel G­60 sebagai fasa diam. Aktivitas penstabilan oksigen singlet diuji menggunakan asam linoleat sebagai substrat yang mengandung 100 ppm eritrosin sebagai fotosensitiser. Fraksi aktif dikarakterisasi dengan teknik spektrometer IR dan UV. Fraksi II dite- mukan memiliki sifat­sifat sebagai penstabil oksigen singlet yang sama efektifnya dengan fraksi III. Efek penstabilan fraksi II dan III lebih tinggi daripada α­tokoferol (p<0,05). Fraksi II diidentifikasi dengan spektrometer IR dan sampel menunjukkan bahwa terdapat penyerapan yang sangat kuat pada 3356 cm-1 yang mengindikasikan adanya gugus hi- droksil dari senyawa fenolik sedangkan spektra UV menunjukkan data fraksi aktif mengindikasikan adanya serapan maksimum berturut­turut adalah 204, 221 dan 272 nm. Kesimpulannya adalah komponen fraksi ekstrak andaliman menunjukkan aktivitas penstabilan oksigen merupakan komponen yang memiliki gugus fenolik.
EXPERIMENTAL RESULTS ON SUPERSONIC COMBUSTION

Abstract : Experiments on spontaneous combustion characteristics of hydrogen injected into a supersonic stream of hot air are described in detail. The results are presented and compared with a theory developed for premixed reactants. The experimental data show that if the initial static temperature and the static pressure of the air stream are high enough then diffusion will be rate controlling and a mixing theory using equilibrium chemistry could be used in analyzing the combustion process. If the chemical reactions are slow, the behavior of the combustion process can be studied as a system where mixing and diffusive effects are absent. The ignition delay times inferred from the initiation of the pressure rise along the burner are in good agreement with those predicted by the empirical correlation. The static temperature exerts a greater influence on the ignition delay time than the static pressure. The static pressure level is an important parameter in determining the time for complete combustion. (Author)
Monitoring fluorescence quenching of polycyclic aromatic hydrocarbons by humic acid in water using fluorescence fingerprints

Fluorescence measurements on selected polycyclic aromatic hydrocarbons were performed to obtain the information about the fluorescence quenching of polycyclic aromatic hydrocarbons by humic acid. The fluorescence properties of pyrene and fluoranthene in the presence of humic acid in water were investigated by three dimensional excitation-emission matrix fluorescence spectroscopy. The pH influence on the fluorescence quenching of pyrene and fluoranthene were also investigated. For both pyrene and fluoranthene, the fluorescence quenching were dominated by static quenching processes. According to the result of the research, the effect of humic acid on the pyrene and fluoranthene can be calibrated in the water environment. The results show that three dimensional excitation-emission matrix fluorescence spectroscopy has great potential for the use of in-situ measurement of polynuclear aromatic compounds in water environment.
CH5+ : THE STORY GOES ON. AN EXPLICITLY CORRELATED COUPLED-CLUSTER STUDY

CCSD(T)-R12 calculations (as well as R12 calculations at lower CC and MPn level) with large basis sets have been performed for the three lowest stationary structures of CH5+, for CH4, and for CH3+ + H2. The basis set limit of the total energy at all levels of the treatment of correlation is reached within ∼1 kcal/mol. At the CCSD(T)-R12 level the same accuracy is achieved for CH4 with respect to its “experimental’’ non-relativistic energy. Accordingly, energy differences should be correct to within a small fraction of a kcal/mol. In agreement with the most accurate previous calculations, the Cs(1) structure of CH5+ is lowest, followed by Cs(2) and C2v. For the relative energies of the two latter structures we predict energy differences of 0.1 and 0.8 kcal/mol respectively. The possibility of a vibrational stabilization of the C2v -structure is discussed. Accurate predictions of the proton affinity of CH4 and the binding energy between CH3+ and H2 are also given.
Brinquedoteca: brincar para incluir

O presente estudo e resultado de uma investigacao inicial que tem a finalidade de verificar as mudancas comportamentais apresentada pelas criancas que visitaram a Brinquedoteca de Pesquisa e Lazer da Universidade Federal do Ceara - UFC, no Instituto de Educacao Fisica e Esporte - IEFES durante o periodo 2011.1. Neste trabalho destacamos a importância do brincar como forma de inclusao, focalizando a interacao de criancas deficientes dentro de um espaco estruturado para brincar, pois a funcao dessa pesquisa e apresentar o comportamento diferenciado que essas criancas externam durante suas visitas ao espaco ludico. As intervencoes foram realizadas com os “alunos” da Escola Clinica Espaco ARAM e com a Escola de Ensino Fundamental Instituto dos Cegos que tem deficits nas areas de cognicao, linguagem (cegas, autista, paralisia cerebral, deficiencia mental, multiplas deficiencias, sindrome de dow etc.) e algumas limitacoes motoras. A investigacao aqui apresentada se classifica como um estudo de carater qualitativo (MINAYO, 2004 e HERNANDEZ, 2006) e exploratorio (MARTINS, 1994). A estrategia metodologica utilizada e estudo de caso (GONCALVES, 2005) do tipo descritivo-interpretativo (MERRIAM, 1988). Alem disso, optamos em realizar uma pesquisa participante (MINAYO, 2004) onde foi possivel viver diferentes experiencias de intervencoes juntos com os sujeitos pesquisados. O objetivo do estudo foi verificar essas mudancas comportamentais durante as atividades ludicas atraves de jogos livres, de construcao, de fantasia e de tabuleiros junto com os acompanhantes, os professores e os ludoeducadores. A pesquisa tera continuidade em 2011.2 com duas intervencoes semanais de quinze em quinze dias. As atividades realizadas foram registradas em videos, imagens e depoimentos das “criancas” e dos acompanhantes. Alguns resultados parciais verificados foram: Aceitacao do outro, interacao, tolerância, alegria, autonomia motriz, representacoes simbolicas de afeto e cuidado, resolucao de problemas e expressao de linguagem oral. A apropriacao do espaco foi plena para alguns e limitada por outros. Observamos que alguns jogos, brinquedos e materiais ludicos foram mais utilizados e outros nao.
Backbone flexibility in protein design theory and experiment

The role of backbone flexibility in protein design was studied. First, the effect of explicit backbone motion on the selection of amino acids in protein design was assessed in the core of the streptococcal protein Gβ1 domain (Gβ1). Concerted backbone motion was introduced by varying Gβ1's supersecondary structure parameter values. The stability and structural flexibility of seven of the redesigned proteins were determined experimentally. Core variants containing as many as six of ten possible mutations retained native-like properties. This result demonstrates that backbone flexibility can be combined with amino acid side-chain selection and that the selection algorithm is sufficiently robust to tolerate perturbations as large as 15% of the native parameter values. Second, a general, quantitative design method for computing de novo backbone templates was developed. The method had to compute atomic resolution backbones compatible with the atomistic sequence selection algorithm we were using and it had to be applicable to all protein motifs. We again developed a method that uses super-secondary structure parameters to determine the orientation among secondary structural elements, given a target protein fold. Possible backbone arrangements were screened using a cost function which evaluates core packing, hydrogen bonding, loop closure, and backbone torsional geometry. Given a specified number of residues for each secondary structural element, a family of optimal configurations was found. We chose three motifs to test our method (ββα, βαβ, and αα) since their combination could be used to approximate most possible backbone fold. The best structure found for the ββα motif is similar to a zinc finger, and the best structure for the ββα motif is similar to a segment of a β-barrel. The backbone obtained for the αα motif resembles minimized protein A. Last, our backbone design method was evaluated by testing the thermal stability and structural properties of the designed peptides using circular dichroism and 1D nuclear magnetic resonance. From these results, a set of heuristic rules was derived. Taken together, these studies suggest that de novo backbones assembled using our backbone design method may serve as adequate input templates for atomistic sequence selection algorithms.
Leaching of BTEX from Aged Crude Oil Contaminated Model Soils: Experimental and Modeling Results

It is generally assumed that soil properties such as organic matter content, porosity, and mineral surface area have a significant effect on the bioavailability and leachability of aged petroleum hydrocarbons. In order to test this hypothesis, nine model soils or sorbents (i.e., fine and coarse quartz sand, montmorillonite and kaolinite clay, peat, 60Å and 150Å silica gel, a loam soil, and non-porous glass beads) were spiked with a crude oil, aged for 27 months in the laboratory, and transferred to glass columns for the performance of continuous flow leaching experiments. The column effluents were periodically sampled for 43 days and analyzed for BTEX. A one-dimensional flow model for predicting the dissolution and dispersion of individual hydrocarbons from a multi-component NAPL such as crude oil was used to fit the leaching data (i.e., the BTEX concentration versus time curves) by adjusting the equilibrium oil-leachate partitioning coefficient (K ol ) for each respective hydrocarbon. The Peclet number, which is a measure of dispersion and a required modeling parameter, was measured in separate chloride tracer experiments for each soil column. Results demonstrate that soil properties did not significantly affect the leaching kinetics of BTEX from the columns. Instead, BTEX leaching curves could be successfully fitted with the one-dimensional NAPL dissolution flow model for all sorbents with the exception of montmorillonite clay. The fitting parameter K ol for each hydrocarbon was found to be similar to the K ol values that were independently measured for the same crude oil by Rixey et al. (Journal of Hazardous Materials B, 65: 137–156, 1999). In addition, the fitted K ol values were very similar for BTEX leaching from aged compared to freshly spiked loam soil. These findings indicate that leaching of BTEX in the aged soils that are contaminated with crude oil at the high concentrations commonly found in the environment (i.e., > 20,000 mg/kg) was not affected by soil properties or aging but rather was governed by the equilibrium dissolution of these hydrocarbons from the crude oil NAPL that is coating the soil particles.
A Mixed Oxide-Hydride Perovskite

Hydrides are unusual materials in which hydrogen is negatively charged. Compounds that contain both hydride and oxide ions are particularly rare. In his Perspective, [Poeppelmeier][1] highlights [ Hayward et al . ][2]'s synthesis of a perovskite containing both hydride and oxide ions. The material may have unusual magnetic and electronic properties. [1]: http://www.sciencemag. org/cgi/content/full/295/5561/1849 [2]: http://www.sciencemag. org/cgi/content/short/295/5561/1882
Dynamics of plasma–surface processes: E–R and L–H atom recombination reactions

The dynamics and energetics of dissociative chemisorption and atom recombination reactions relevant to plasma–wall and plasma–surface processes are discussed in the light of recent progress in molecular dynamics and electronic structure studies on elementary heterogeneous systems. Emphasis is given to the Langmuir–Hinshelwood and Eley–Rideal recombination processes involving H and its isotopes adsorbed on various substrates at different surface temperatures and collisional energy regimes.
Growth and physical property study of single nanowire (diameter ∼45nm) of half doped manganite

We report here the growth and characterization of functional oxide nanowire of hole dopedmanganite of La0.5Sr0. 5MnO3 (LSMO). We also report four-probe electrical resistance measurement of a single nanowire of LSMO (diameter ∼45 nm) using focused ion beam (FIB) fabricated electrodes. The wires are fabricated by hydrothermal method using autoclave at a temperature of 270 °C. The elemental analysis and physical property like electrical resistivity are studied at an individual nanowire level. The quantitative determination ofMn valency and elemental mapping of constituent elements are done by using Electron Energy Loss Spectroscopy (EELS) in the Transmission Electron Microscopy (TEM) mode. We address the important issue of whether as a result of size reduction the nanowires can retain the desired composition, structure, and physical properties. The nanowires used are found to have a ferromagnetic transition (TC) at around 325K which is very close to the bulk value of around 330K found in single crystal of the same composition. It is confirmed that the functional behavior is likely to be retained even after size reduction of the nanowires to a diameter of 45 nm. The electrical resistivity shows insulating behavior within the measured temperature range which is similar to the bulk system.
Residual (13C, 14N) dipolar coupling in 13C NMR of solid nitrogen‐containing aromatic compounds

Carbon‐13 NMR spectra of some solid substituted anilines and aromatic diazonium salts, taken under conditions of cross‐polarization with high‐power proton decoupling, are presented. In the case of the aromatic diazo compounds the carbon directly attached to the diazo group gives rise at 22.6 MHz to a line shape which has approximately the appearance of a 2:1:1 triplet but which is shown to be in reality a 2:1 doublet of 2:1 doublets. This arises from the presence of both a long‐range and a short‐range residual (13C, 14N) dipolar coupling. Isotopic labelling of the nitrogen in the diazo group allowed the determination of the nuclear quadrupole coupling constants of the two 14N nuclei and, consequently, theoretical simulation of the apparent triplet line shape. The orientations of the electric field gradient tensors for the 14N nuclei in these compounds are discussed in terms of their electronic structure.
Recyclable magnetic CoFe2O4/BiOX (X = Cl, Br and I) microflowers for photocatalytic treatment of water contaminated with methyl orange, rhodamine B, methylene blue, and a mixed dye

The recycling of photocatalysts and improving their activities by hybridizing two materials are important. Herein, nanosize ferromagnetic (Ms = 62.3 emu g−1) CoFe2O4 nanoparticles (NPs) were embedded into nanosize-assembled BiOX (X = Cl, Br and I) microflowers and examined by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, UV-visible absorption spectroscopy, Fourier-transform infrared spectroscopy, and photoluminescence spectroscopy. The adsorption and photocatalytic performance of CoFe2O4/BiOX for methyl orange (MO), rhodamine B (RhB), methylene blue (MB), and a mixed dye (MO + RhB + MB) were examined under UV and visible light irradiation. The adsorption capacity of CoFe2O4/BiOI for RhB was 160 mg gcat−1, which is significantly larger than the <5 mg gcat−1 obtained for CoFe2O4/BiOCl and CoFe2O4/BiOBr. The photocatalytic activity was observed in the order of CoFe2O4/BiOBr < CoFe2O4/BiOCl < CoFe2O4/BiOI for RhB. Their adsorption and photocatalytic performances were also investigated with pure MO, pure MB and a mixed dye. MO in the mixed dye was the most easily removed by the catalysts under light exposure. Based on the scavenger tests, h+ and ˙O2− play major and minor roles in the photodegradation of the dyes, respectively. Although the ˙OH radical was formed for CoFe2O4/BiOBr and CoFe2O4/BiOCl, it has a much smaller role than the other active species.