Miracle-dz/UniFAR-FTUs huggingface dataset:
The interaction of antimicrobial peptides with lipopolysaccharide aggregates and model membranes

Lipopolysaccharides (LPS) released from the outer membrane (OM) of Gram negative bacteria form aggregates which trigger an inflammatory response in humans and can result in severe septic shock. LPS molecules are heterogenic, macroamphiphilic oligosaccharides with a pro-inflammatory activity strictly related to the colloidal structures formed in solution; the morphology of the colloids formed by LPS is dependent upon the molecular conformation of the LPS monomers. The intact LPS molecule (smooth chemotype) forms elongated micelles in solution whereas truncated LPS molecules (rough chemotypes) form lamellar aggregates. Biological toxicity tests revealed that the different chemotypes have different toxic activities on cultured macrophage cells. It is believed that the micellar aggregates are responsible for the toxic effect of LPS, while the lamellar phase should not trigger an inflammatory response. The data presented in this thesis revealed that there might be a more complex connection between the toxicity of LPS and the aggregate structures. The amphiphilic cationic antimicrobial peptides (CAPs) LL37 and LFb possess putative anti-endotoxic activities and were therefore studied using small-angle neutron scattering (SANS) and cryo transmission electron microscopy (cryo-TEM) to assess any modification induced to the colloidal structure of LPS, ideally from a high toxic state to a lower toxic morphology of the aggregates. The peptides LL37 and LFb are able to induce changes to the aggregates from different LPS chemotypes in relation to their conformation and the LPS molecular structure. Neutron reflectivity experiments on monolayer and bilayer membrane models containing different chemotypes of LPS were performed in the presence of the peptides; the data revealed that the two peptides have different mechanisms of interaction with membrane models containing LPS. These investigations provide new insight into the structure-activity of LPS in conditions which are more biologically-relevant than previously published data. Additionally the activity of CAPs on membrane models of the Gram negative bacteria OM was investigated to elucidate the different mechanisms of interaction and their possible anti-inflammatory role.
Two-dimensional volatility basis set modeling of pinanediol oxidation in the CLOUD experiment

We describe a 2D-VBS model of organic oxidation in the CERN CLOUD Experiment. Specifically, we model the steady-state supersaturations of organic compounds formed during the oxidation of pinanediol by OH. The steady state is controlled in the model almost entirely by production from OH oxidation and deposition to the chamber walls.
High efficiency stable inverted perovskite solar cells without current hysteresis

The inverted perovskite solar cell fabricated using a two-step method exhibited the highest FF of 0.85 and good efficiency of 18% based on CH3NH3PbI3. A small amount of H2O was added into PbI2/DMF to make a homogenous precursor solution. A high quality PbI2 film with full coverage was formed on a PEDOT:PSS surface by spin coating of the homogeneous PbI2 precursor solution. The perovskite film fabricated from the high quality PbI2 film is highly pure, smooth and very dense even without any pinhole. The champion cell achieves a remarkable fill factor (FF) of 0.85, which is the highest value reported in perovskite solar cells. The FF value is also very reproducible with less than 10% deviation for 50 cells. The cell exhibits no current hysteresis and is stable under both dark and illumination conditions in dry and inert atmospheres. The results not only provide a strategy to fabricate high efficiency inverted perovskite solar cells but also reveal how the water additive in the PbI2/DMF solution may affect the properties of PbI2 and therefore the perovskite film prepared using the two-step method and the overall photovoltaic performance of the corresponding inverted solar cell.
Velocity-dependent collision frequency effects in nonlinear spectroscopy of plasma

We investigate the line narrowing in dense plasmas due to ion- ion scattering. Landau term include velocity dependence of the effective transport collision frequency that makes the problem more complicated that the Dicke narrowing in gases. The collision process is analytically described as a diffusion in the velocity space. It is shown that the atomic density matrix can be calculated by decomposition over orthogonal polynomials. The analytical results are obtained in limiting cases of short and long wavelength compared with the mean free path of an ion. For intermediate case a simple interpolation formula, based on numerical calculation, is proposed having an accuracy within 10% both for absorption linewidth and anomalous refractive index. The conditions for experimental observation of the narrowing are discussed.
La4Cu3MoO12: A novel cuprate with unusual magnetism

La4Cu3MoO12 is a new (ABO3)n=4 cuprate with mixed B-cations in a ratio of 1:3. When synthesized at ambient pressure, the structure is not perovskite as expected but rather a homeotype of YAlO3, a rare-earth hexagonal phase. While the P63/mmc and Pmnm space groups can be used to model average structures which appear in quenched samples; powder, electron, and neutron diffraction data all confirm that a slow-cooled sample crystallizes in the monoclinic space group, P1121/m. The copper and molybdenum are coordinated by oxygen in corner-sharing trigonal bipyramids that are sandwiched between layers of lanthanum cations. In the B-cation layer, the copper cations order into a kagome-like lattice of triangular clusters. The magnetism has been measured from 2 to 800 K and is highly influenced by the geometric arrangement of the CuII cations. An antiferromagnetic transition occurs at 5 K, but the sample does not reach a purely paramagnetic state until 460 K.
The Effect of Salts Used in Textile Dyeing on Microbial Decolourisation of a Reactive Azo Dye

Azo dyes account for 60 to 70% of all textile dyestuffs produced and are the most common chromophore of reactive textile dyes. Colouration of textile effluents usually can be linked to the presence of water-soluble (reactive) azo dyes. Under anaerobic conditions azo dyes can be used as terminal electron acceptors during microbial respiration, being reduced and decolourised concurrently with re-oxidation of reduced flavin nucleotides. Thus, the process of anaerobic digestion is under investigation as an effluent treatment option for the textile industry. The ability of anaerobic microbial consortia to decolourise azo dyes is well established; however, an additional factor that requires consideration is the high concentration of salts present in reactive dyeing effluent. Nitrate, sulphate, chloride and carbonate salts can all be used during reactive dyeing. This paper presents results of an investigation into the effect of nitrate and sulphate on the decolourisation of a reactive azo dye, Reactive Red 141.
How does Word Embeddings-based Query Expansion Perform in Consumer Health Information Search?: A novel solution for CHIS FIRE'2016 track

General search engines have been widely used by non-expert consumers when searching for health information on the web. In a health information search scenario, although being able to answer a factual query where the answers are direct and definite, general search engines are still far from effective to answer a query where the answers contain multiple perspectives. CHIS FIRE'2016 track aims to investigate complex health information search in such a scenarios. Different from other teams work, this paper put forward a novel solution to this task. An information retrieval model with improved query expansion techniques were employed. The evaluation results outperform the best team score with a large margin and show the effectiveness of the approach.
Microencapsulation of Rosemary Essential Oil: Characterization of Particles

This study evaluated the influence of wall material concentration (10–30%), inlet temperature (135–195°C), and feed rate (0.5–1.0 L · h−1) on the properties of rosemary oil microencapsulated by spray-drying, with gum arabic as carrier. Powder recovery, surface oil, oil retention, and hygroscopicity varied from 17.25%–33.96%, 0.03%–0.15%, 7.15%–47.57%, and 15.87%–18.90%, respectively. The optimized conditions were determined to be a wall material concentration of 19.3%, an inlet air temperature of 171°C, and a feed flow rate of 0.92 L · h−1. At this condition, particles presented no fissures and the compositions of pure and microencapsulated oil were similar. The sorption isotherms could be described by the GAB model.
Deoxygenation of graphene oxide using household baking soda as a reducing agent: a green approach

A one-step, novel, easy, fast, facile, economic, and environmental friendly route to reduce graphene oxide (GO) is studied and explained in this study. The household baking soda (sodium bicarbonate/NaHCO3) was applied here as a reducing agent. In aqueous solution, NaHCO3 hydrolyses into hydroxide ion and leads to deoxygenate GO sheets. The confirmation of oxygen reduction was checked with UV-visible spectroscopy, X-ray diffraction, Fourier transform infrared spectrometry and Raman spectroscopy. Thermal behavior of graphene was analyzed by thermogravimetry analysis and differential scanning calorimetry. Again, atomic force microscopy, scanning electron microscopy, field emission scanning electron microscopy and transmission electron microscopy were used for morphological study. Energy dispersive X-ray spectrometer was applied to analyze the elemental composition. The results of the above experiments demonstrate that the house-hold baking soda is able to produce functional graphene, which can be a suitable replacement of hydrazine, sodium borohydrate or other toxic reducing agents. This method is high yielding and safe to use in biomaterial applications.
Effect of Artichoke (Cynara scolymus L.) Fiber on Textural and Sensory Qualities of Wheat Bread

The bakery industry demands freshness, healthfulness, and natural ingredients, in order to satisfy increasingly informed consumers. The fructooligosaccharides (FOS) are carbohydrates which have shown to be beneficial for health as they stimulate the growth of bifidobacteria in the human colon, eliminate putrefying pathogens, regulate metabolic activities, stimulate immune functions, and improve the bio-availability of nutrients. Artichoke (Cynara scolymus, L.) has a high content in a FOS called inulin. The present study was conducted to evaluate the potential use of globe artichoke leaf and stem meal, as a source of fiber in wheat bread. Different bread formulations have been investigated, with the addition of a 3, 6, 9, and 12% of the ingredient. Several parameters were measured as color, specific volume, texture (hardness, cohesiveness, springiness, chewiness, and resilience) and moisture. A sensory evaluation was also performed to determine the overall acceptability and the texture characteristics of each formulation. The results showed that the incorporation of the artichoke fiber modified significantly the bread textural properties for the formulations above 9%. Breads with artichoke fiber presented higher fiber content, and were considered acceptable by the sensory panel, indicating that this ingredient is adequate for its use as a fiber source in bread.
Normal Coordinates for the Out‐of‐Plane Deformations of Vinyl Bromide

A normal coordinate analysis of the out‐of‐plane modes of vinyl bromide shows that the description of the 943 cm—1 and 583 cm—1 modes given by Torkington is not entirely correct. The 943 cm—1 mode has a close resemblance to the ethylene type twist and the 583 cm—1 mode may be easily visualized as a wagging motion of the whole vinyl group. A comparison is also made with C2H3D and trans‐C2H2D2.
Flame Atomic Absorption Spectrometric Determination of Total Chromium and Cr(VI) in Cigarette Ash and Smoke using Flow Injection/Hydraulic High-Pressure Sample Introduction

Abstract Total chromium and Cr(VI) contents of cigarettes, ash, and smoke formed while burning cigarettes were determined. The determinations of chromium species were carried out according to procedures developed earlier. Cr(VI) was determined in a combined system, which involves a flow injection (FI) sorption preconcentration system, hydraulic high-pressure nebulization (HHPN) sample introduction technique, and flame atomic absorption spectrometric (FAAS) detection. The total chromium of samples in Cr(VI) form was determined in this same combined system after ashing cigarettes at 800°C [after total conversion of Cr(III) of the sample to Cr(VI)]. It was found that while burning cigarettes 0.8–1.2% of the original chromium content of the cigarettes comes to smoke in the toxic Cr(VI) form.
Influence of the xenon induced work function change on the xenon binding energy in photoemission of adsorbed xenon

Photoemission of adsorbed xenon has been shown to probe the local atomic work function. The Xe binding energy has a constant value relative to the vacuum level causing the measured binding energy relative to the Fermi level to vary with the work function of the adsorption site. The alignment of the Xe core level to the vacuum level should result in peak shifts with the work function change caused by the adsorbed Xe since the substrate vacuum level shifts with this work function change. However, the Xe peak positions are invariant to the work function changes and remain aligned to the work function of the clean substrate. It is shown in this article how this invariance creates a paradox for the model of the Xe core levels aligned to the vacuum level. The paradox arises from the simultaneous invariance of the Xe and the substrate core level binding energies to the work function change along with the modified threshold for secondary electron emission. The work function change is typically described by a dipo.
Electric and Ionic Environmental Circumstances Interacting at Hosokura Underground Mine in Northeast Japan

We built an observational system in the Hosokura underground mine in northeast Japan. An underground laboratory for setting up equipment is located ∼1.5 km from the main gallery entrance and ∼70 m below the surface. To detect electric signals related to earthquakes, volcanic eruptions, and/or land slides, the room contains sensors for seismic waves, electric potentials, electric fields, air ion concentrations, air temperature, and air humidity. Long-term observations with a GPS-synchronized clock have identified daily and seasonal changes in the background levels of the quasi-static electric field and the air ion concentration, probably related to air movement in and out of the mine through the shaft near our laboratory. The background electric field may be caused by a bias distribution of negative and positive air ions.
Removal of Cu2+ from aqueous solution by Chitosan/Rectorite nanocomposite microspheres

AbstractThe novel chitosan/rectorite nanocomposite microspheres were prepared by controlling mass ratios of chitosan and rectorite at 6:1. The microspheres were characterized by Fourier transform infrared spectrophotometer, X-ray diffraction, and scanning electron microscope. The interlayer distance of rectorite was enlarged from 2.53 to 3.01 nm. Adsorption of Cu2+ from aqueous solution onto chitosan/rectorite nanocomposite microspheres was studied. The results showed that the Cu2+ adsorption process is dependent on pH, contract time, initial CR concentration, and temperature. The maximal Cu2+ uptake was 190.2 mg g−1 in the test. The adsorption kinetics, isotherms, and thermodynamics were also studied. The maximum sorption capacities calculated from the pseudo-second-order rate equation and Langmuir isotherm were 209.5 and 201.6 mg g−1, respectively, which were close to the experimental values. Adsorption thermodynamics study indicated the spontaneous nature and endothermic of the adsorption process.
Transparent glass ceramics for 1300 nm amplifier applications

The properties of an oxyfluoride glass ceramic that possesses high transparency after ceramming are described. Approximately 25 vol % of this material is comprised of cubic, fluoride nanocrystals and the remainder is a predominantly oxide glass. When doped with Pr+3, the fluorescence lifetime at 1300 nm is longer than in a fluorozirconate glass, suggesting that a significant fraction of the rare‐earth dopant is preferentially partitioned into the fluoride crystal phase. This material has the added advantage of being compatible with ambient air processing.
Influence of High‐Pressure/High‐Temperature Extraction on the Recovery of Phenolic Compounds from Barley Grains

The influence of extraction temperature (90–180C), solvent concentration (36–90% ethanol) and time (30–90 min) on extractability of phenolic compounds from barley grains and on antiradical power of extracts was examined. RSM was used to design and optimize the processing parameters. Experimental results of total phenolic contents, total flavonoids and antiradical power of barley extracts were in the range from 3.27 to 26.60 mgGAE/gdb, 0.91 to 6.09 mgCE/gdb and 0.33 to 4.05 gDPPH/mLext, respectively. HPLC analysis of extracts showed epigallocatechin gallate to be the predominant phenolic compound, representing up to 93% of all phenolic compounds determined. Based on RSM analysis, temperature was the most significant factor affecting the observed responses (P < 0.05) and optimal extraction conditions were achieved at 180C, 36% ethanol and 90 min. Additionally, strong correlation between protein content and phenolic compounds of extracts was observed (R = 0.925), indicating the influence of total proteins on possible overestimation of polyphenol content. Practical Applications Barley is a cereal crop with potential health benefits related to its content of phenolic compounds. Extraction is one of the essential steps in the isolation of bioactive compounds from natural sources and it is well known that it depends on numerous parameters. The search for nonconventional method of extraction that can overcome drawbacks of conventional (solid-liquid) extraction was the motivation of this research. Thus, the current study employed high-pressure/high-temperature stirred reactor for extraction process, and RSM for modeling the possible relationship between different extraction parameters and yield of phenolic compounds extracted from barley as well as their antioxidant activities. The data shown would provide the scientific rationale for better understanding of extraction of bioactive phenolic compounds from barley at high-pressure/high-temperature regime and as a contribution to the development of this technique in spite of the high cost of equipment.
Determinação do número mais provável de microrganismos do solo pelo método de plaqueamento por gotas

The most probable number (MPN) for soil bacteria and fungi was determined using a micro-assay technique, which was more economical and less tedious. This technique was compared with the conventional procedure for counting soil microorganisms in soil samples with different textures. The sensitivity of this method could be also verified when used to evaluate number of microorganisms from different sources of organic matter and chromium added to the soil.
Factors influencing the electrochemical properties of high-voltage spinel cathodes: Relative impact of morphology and cation ordering

In order to achieve consistent electrochemical properties essential for the commercialization of the high-voltage spinel cathode LiMn1.5Ni0. 5O4, a deeper fundamental understanding of the factors contributing to capacity fade is required. Specifically, the relationship between cation ordering, impurity phases present, and particle morphology must be elucidated. We present here a comparison of stoichiometric LiMn1.5Ni0. 5O4 cathodes with a 3:1 Mn/Ni ratio prepared by different methods with varying morphologies and degrees of cation ordering. Careful structural, chemical, and electrochemical characterizations illuminate the relative influence of the various factors on the electrochemical cycling stability and high-rate performance. It is found that although an increase in the degree of cation ordering decreases the rate capability, the crystallographic planes in contact with the electrolyte have a dominant effect on the electrochemical properties.
Trombolisis intravenosa en ataque cerebrovascular isquémico agudo en Santa Cruz Bolivia: análisis retrospectivo de los primeros 18 casos

Objetivos: describir la experiencia en la implementación del protocolo de trombolisis i.v. en 18 pacientes con Accidente Cerebrovascular (ACV) isquémico en la Unidad de ACV de la Clínica Foianini, concretamente, entre septiembre de 2013 y julio de 2017. Métodos: el estudio tiene un enfoque cuantitativo, tipo descriptivo y retrospectivo. Se revisó las historias clínicas de los pacientes con diagnóstico de ACV isquémico agudo, que fueron tratados con trombolitico intravenoso (Alteplasa) en el servicio UTAC, entre septiembre de 2013 y julio 2017 en Santa Cruz, Bolivia. Resultados: el Tiempo Síntoma-Puerta alcanzo a 62,7 +/38 min, mientras que el Tiempo Puerta-Aguja fue de 53,6 +/15 min. y Tiempo Síntoma-Aguja 114,6 +/43 min. Se registraron complicaciones en 6 (33,3%). promedio de 4,6 +/3 días de internación en la clínica, pasando un promedio de 2,8 +/2 días en la Unidad de ACV. La tasa de mortalidad fue de 16,6%. Según la Escala Modficada de Rankin, tuvieron un puntaje de 0-1 mRS. Conclusiones: el tiempo Puerta-Aguja en nuestro establecimiento fue de un promedio de 57 minutos, cumpliendo de esta forma la recomendación de la American Heart Association Guidelines 2013, la cual recalca que éste debe ser <60 min13. Palabras claves: accidente cerebrovascular, trombólisis, isquemia cerebral E ataque cerebrovascular (ACV) constituye un enorme problema de salud pública en el mundo1, existe una rapida evolución en el tratamiento agudo del ACV, en 1995 se relizó tratamiento con trombolíticos endovenoso con Alteplasa al 5% de los pacientes con ACV y actualmente se realiza hasta el 30%5,8. No se ha encontrado publicacion de tratamiento agudo del ACV con trombolítico endovenoso, en Bolivia, por lo que decidimos publicar nuestra experiencia, para que en nuestro medio, se realicen mas tratamientos tromboliticos
Understanding the sensitivity of nucleation kinetics: A case study on water

Small atomic or molecular clusters provide the bridge between vapor and liquid phases. Nucleation is a rare event process by which clusters of a new phase are produced. This process is inherently dynamic and as such the new phase cannot exist until an activation barrier is surmounted. Dynamical nucleation theory (DNT) utilizes variational transition state theory to provide a framework in which cluster evaporation and condensation rate constants can be determined directly. To date, the fundamental nature regarding the intrinsic instability of the kinetics of the nucleation process has eluded theoretical efforts. In this paper we present a sensitivity analysis of the homogeneous nucleation rate on kinetic parameters used in DNT. Moreover, several classical interaction potentials for water exist, most of which have been parametrized to reproduce some bulk properties of water at ambient conditions. Thus, an analysis was undertaken to explore what effects different water potentials have on the dynamical quanti.