Miracle-dz/UniFAR-FTUs huggingface dataset:
The structure of gelatin-water/oil microemulsion sols and gels. An EPR spin-probe and spin-labelling study

The microenvironments of sols and gels of gelatin in water-in-oil microemulsions formed by sodium bis(2-ethylhexyl) sulfosuccinate (AOT) in isooctane have been characterized by EPR spin-labelling and spin-probe techniques. Using spin-labelled gelatin, incorporated both in sol and gel, the changes in the microstructure(s) around the gelatin have been monitored, at different water and gelatin compositions. Specific locations of the gelatin have been found: some of the gelatin is located at the water/surfactant interface and part in pools of water. Gelatin is not found in the apolar phase. The spin-probe technique, with amphiphilic probes, provides information on changes in the structure of the aggregates as a result of gelatin incorporation. Increased microviscosity, and a tighter packing of the AOT chains is observed, confirming the location of gelatin at the water/surfactant interface. Our results favour a model for the gel structure in which all the gelatin is covered by water and surfactant, with large cavities of polar and apolar solvent.
Molecular simulation of binary vapour–liquid equilibria with components differing largely in volatility

In this work the Gibbs–Duhem integration method is used in combination with molecular simulation in the semigrand ensemble to simulate vapour–liquid equilibria for the binary mixtures ethane–methane and carbon dioxide–dimethylsulphoxide (DMSO). In both binary mixtures, the two components have a large difference in relative volatility. The starting point for tracing the vapour–liquid phase envelope is either calculated in a pure species NVT Gibbs ensemble simulation or in a pure species NpT+test particle simulation. The chosen method depends on the vapour pressure of the pure species. An equation is presented that relates the initial slope of the Clapeyron equation to an ensemble average in the Gibbs ensemble. The NpT+test particle method is slightly modified in order to improve the convergence characteristics when one of the coexisting phases is a (very) dense phase. Configurational-bias methods are used in the NVT Gibbs ensemble to enhance the acceptance of particle exchanges, and in the NpT+test particle method to grow test particles in a dense liquid phase. Force-biased molecular translations and torque-biased molecular rotations are used to enhance the diffusion of molecules in state space. The work shows the capability of the combination of the NpT+test particle method and Gibbs–Duhem integration to predict vapour–liquid equilibria of binary systems with components differing largely in volatility.
Concentrations of Ames Mutagenic Chlorohydroxyfuranones and Related Compounds in Drinking Waters

The extremely potent Ames mutagen MX [3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone] has been found to account for a substantial part of the mutagenicity of drinking waters. Some compounds showing structural relationship with MX have been identified in drinking waters, but it has not been investigated whether they are commonly occurring. Therefore, the main purpose of this study was to make a comprehensive survey of the occurrence of such compounds in drinking waters and of their importance as mutagenicity contributors. Drinking water was collected from 35 localities in Finland and from St. Petersburg, Russia. The acidified water samples were processed through XAD-8 resin and eluted with ethyl acetate. The mutagenic activity was measured in the extracts using the Ames Salmonella typhimurium strain TA100 without metabolic activation. In addition, the concentrations of a total of 13 compounds were determined in the extracts using GC/MS in the selected ion monitoring mode. The study confirms that MX i.
Discovering the atmospheres of hot Jupiters

Abstract Hot Jupiters are an extraordinary class of exoplanets, orbiting their host stars with periods of hours to a few days. Some of these objects have day-side temperatures approaching photospheric temperatures of late K-type stars. I will give an overview of how we characterize the atmospheres of these fascinating objects and some the more recent exciting results to come from ground and space-based telescopes, as well as what the future holds for detailed characterization of short-period exoplanet atmospheres.
Cultivar Variation in Physicochemical and Antioxidant Activity of Alabama-Grown Blackberries

Abstract Blackberries are an excellent source of natural antioxidants. Fully ripened fruit of ‘Apache’, ‘Arapaho’, ‘Chester’, ‘Loch Ness’, ‘Navaho’ and ‘Triple Crown’ thornless blackberries were evaluated for their physicochemical and antioxidative activity. There were no consistent differences for variation in initial pH, titratable acidity (TA), total soluble sugar (TSS) and TSS/TA ratio values determined. Differences among cultivars with respect to reduced ascorbic acid (AA) were established, but there were no differences in either oxidized ascorbic acid (DHA) or total ascorbic acid (TAA) content. The antioxidant activity as determined by ABTS radical cation procedure for fractionated crude fruit extracts varied in response to parameters evaluated. Hydrophilic antioxidant activity (HAA) was not different among cultivars evaluated. In contrast, differences were found in lipophilic antioxidant activity (LAA) and total antioxidant activity (TAA).
Direct synthesis and inkjetting of silver nanocrystals toward printed electronics

Monolayer-protected silver nanoparticles were directly synthesized in a highly concentrated organic phase (>2 M) and then printed into conductive lines on polyimide by a drop-on-demand inkjet printer. The fully organic phase system contains silver nitrate as a silver precursor, n-butylamine as a media dissolving silver salt, dodecanoic acid as a capping molecule, toluene as a solvent, and sodium borohydride as a reducing reagent. Even using only generic chemicals, monodispersed silver nanocrystals with size of 7 nm were easily synthesized at the 100 g scale in a 1 litre reactor. Hydrocarbon monolayer-protected silver nanocrystal showed excellent dispersion stability even at metal content >70 wt%. The silver ink with metal content of 33 wt% had a viscosity of 5.4 cP and surface tension of 25 dyn cm−1. The silver ink was successfully inkjetted on variable substrates and then metallized at 250 °C. The metallized silver patterns exhibited very low specific electrical resistance (6 µΩ cm)
Diskussion chemischer Gleichgewichte.

By means of calculated examples it is demonstrated that chemical equilibria can be discussed in a much simpler way by writing the equations in matrix notation. Our basic idea is to treat a problem as a linear one as far as possible and to formulate the nonlinear part as side condition. The rank R* of the stoichiometry matrix proves to be very useful as well for the derivation as for the application of the phase rule.
Two‐dimensional experiments with collision‐induced transfer of populations in microwave Fourier transform spectroscopy

The two‐dimensional (2D) technique in microwave Fourier transform (MWFT) spectroscopy has been extended to four‐level double resonance. By applying a three‐pulse sequence with a particularly selected phase cycle, it was possible to correlate the spectra excited by pump and signal radiation in two dimensions. Cross peaks in such 2D spectra appeared only when collision‐induced transitions took place between the levels of the irradiated transitions. Also the dynamics of such collision processes could be investigated. The power of the method is greatly enhanced by the high sensitivity of the MWFT technique. Experiments were performed on HC15N in order to investigate the collision‐induced transitions between different pairs of l‐type doublets. The one‐dimensional analog of this 2D method was tested on acetaldehyde.
Evaluation of 55Fe as a tracer of Fe(III) reduction in aquatic sediments

Abstract The potential utility of 55Fe as a tracer for Fe(III) reduction in aquatic sediments was evaluated using freshwater sediments from the Potomac River, Md, in which Fe(III) reduction was the predominant terminal electron accepting process. In laboratory incubations of sediments amended with poorly crystalline 55Fe(III) oxide, the accumulation of 55Fe in Fe(II) over time paralleled Fe(II) production. However, within 1 h of addition of 55Fe(III) oxide, significant quantities of 55Fe were recovered in extractable (1 M sodium acetate, pH 5) and soluble Fe(II) pools. There was proportionately more 55Fe(II) activity in sediments with higher Fe(II) concentrations. These results suggest that there was rapid isotopic exchange between 55Fe in poorly crystalline Fe(III) oxide and the Fe(II) pools. Because of this exchange, 55Fe could not be used to trace Fe(III) reduction in sediments in the manner that 35SO4 2− is used to trace sulfate reduction. Although accumulation of 55Fe in Fe(II) pools paralleled unla‐.
ORDER AND DISORDER IN TWO-DIMENSIONAL RANDOM NETWORKS

Abstract The statistical properties common to a range of two dimensional random net works are considered. In particular, Aboav's empirical relation for the average number of sides mn on the neighbours of n-sided cells are examined. Attention is focussed not on the widely differing physical properties of these networks, but on the common topological properties as summarized by a general sum rule. An expression ia obtained for the parameter a in Aboav's relation and in the case where skewness in the distributions can be ignored, a is shown to be simply related to the coefficient of kurtosia of the distribution function for n-sided cells.
Arsenic compounds in terrestrial organisms. IV. Green plants and lichens from an old arsenic smelter site in Austria

Two lichens and 12 green plants growing at a former arsenic roasting facility in Austria were analyzed for total arsenic by ICP–MS, and for 12 arsenic compounds (arsenous acid, arsenic acid, dimethylarsinic acid, methylarsonic acid, arsenobetaine, arsenocholine, trimethylarsine oxide, the tetramethylarsonium cation and four arsenoriboses) by HPLC–ICP–MS. Total arsenic concentrations were in the range of 0.27 mg As (kg dry mass)−1 (Vaccinium vitis idaea) to 8.45 mg As (kg dry mass)−1 (Equisetum pratense). Arsenic compounds were extracted with two different extractants [water or methanol/water (9:1)]. Extraction yields achieved with water [7% (Alectoria ochroleuca) to 71% (Equisetum pratense)] were higher than those with methanol/water (9:1) [4% (Alectoria ochroleuca) to 22% (Deschampsia cespitosa)]. The differences were caused mainly by better extraction of inorganic arsenic (green plants) and an arsenoribose (lichens) by water. Inorganic arsenic was detected in all extracts. Dimethylarsinic acid was identified in nine green plants. One of the lichens (Alectoria ochroleuca) contained traces of methylarsonic acid, and this compound was also detected in nine of the green plants. Arsenobetaine was a major arsenic compound in extracts of the lichens, but except for traces in the grass Deschampsia cespitosa, it was not detected in the green plants. In contrast to arsenobetaine, trimethylarsine oxide was found in all samples. The tetramethylarsonium cation was identified in the lichen Alectoria ochroleuca and in four green plants. With the exception of the needles of the tree Larix decidua the arsenoribose (2′R)-dimethyl[1-O-(2′,3′-dihydroxypropyl)-5-deoxy-β-D-ribofuranos-5-yl]arsine oxide was identified at the low μg kg−1 level or as a trace in all plants investigated. In the lichens an unknown arsenic compound, which did not match any of the standard compounds available, was also detected. Arsenocholine and three of the arsenoriboses were not detected in the samples. Copyright © 2000 John Wiley & Sons, Ltd.
Dedicated Image Analysis Software Tool for the Evaluation of the Resorption Activity of Cultured Osteoclasts

A semi-automated image analyzing system was developed for the quantitative study of the in vitro osteoclast activity. It is able to determine the percentage of the matrix reabsorbed by cultured osteoclasts. It counts and sizes the worn areas and displays the results together with two-color coding useful for visual interpretation. A specific semi-automated procedure was designed to simulate human sight. It detects local gray level differences while matching with the surrounding gray levels. It implements routine calculation enabling the operator to continuously control the process. We were able to accurately and precisely quantify the reabsorbed percentage of meaningful fields in a slice. This image-analyzing system is useful in the study of physiological or pathological osteoclast activity in various diseases involving bone, such as osteoporosis, Paget's disease of bone or neoplastic conditions, and in the evaluation of osteoclast response to various agents.
Influence of carbaryl on nitrogenase activity and combinations of butachlor and carbofuran on nitrogen-fixing micro-organisms in paddy soils

The influence of pesticides applied either singly or in combination on soil nitrogenase and nitrogen-fixing micro-organisms was investigated. Carbaryl, an insecticide commonly used in rice, had almost no effect on nitrogenase under submerged conditions while activity was stimulated even at 10 μg g−l under non-flooded conditions. Application of the herbicide butachlor or the insecticide carbofuran (at 2 μg g−1) reduced the population of Azospirillum and anaerobic nitrogen fixers in a non-flooded alluvial soil. In contrast, butachlor stimulated the population of anaerobic nitrogen fixers in an acid sulphate saline Pokkali soil under a similar water regime. Further, an increased level of carbofuran (4 μg g−1) stimulated the population of Azospirillum and anaerobic nitrogen fixers in both the soils. This stimulatory effect occurred, though not to the same extent, in the presence of butachlor which, when applied alone, inhibited the population of Azospirillum and anaerobic nitrogen fixers in alluvial soil. In Pokkali soil the combination of carbofuran and butachlor inhibited the population of Azospirillum, while carbofuran alone at 4 μg g−1 was stimulatory. These results suggest that under tropical conditions the effects of pesticides on nitrogen fixation and nitrogen-fixing populations depend upon pesticide concentration, water regime and soil type.
Focusing antibody responses to the fusion peptide in rhesus macaques

Immunodominance of antibodies targeting non-neutralizing epitopes and the high level of somatic hypermutation within germinal centers (GCs) required for most HIV broadly neutralizing antibodies (bnAbs) are major impediments to the development of an effective HIV vaccine. Rational protein vaccine design and non-conventional immunization strategies are potential avenues to overcome these hurdles. Here, we report using implantable osmotic pumps to continuously deliver a series of epitope-targeted immunogens to rhesus macaques over the course of six months to elicit immune responses against the conserved fusion peptide. Antibody specificities and GC responses were tracked longitudinally using electron microscopy polyclonal epitope mapping (EMPEM) and lymph node fine-needle aspirates, respectively. Application of cryoEMPEM delineated key residues for on-target and off-target responses that can drive the next round of structure-based vaccine design.
Novel Design Concept for Facultative Ponds Using Rock Filters to Reclaim the Effluent

This paper presents a novel design concept for using rock filters as in-line natural media in waste stabilization ponds. A pilot-scale algae-rock-filter pond (ARP) system was investigated in parallel with algae-based ponds (ABPs) over a period of 6 months to evaluate the treatment efficacy of both systems. Each system entailed four equally sized ponds in a series and was continuously fed with domestic wastewater from Birzeit University. The removal rates of organic matter, nutrients, and fecal coliforms were monitored within each treatment system. The results obtained revealed that the ARP system was more efficient in the removal of organic matter [total suspended solids (TSS) and chemical oxygen demand (COD), 86% and 84%, respectively] and fecal coliforms (4 log) than the ABP system (81%, 81%, 3 log, respectively). The ARPs showed higher removal rates for ammonium and phosphorus (68.8% and 50.0%, respectively) compared with the ABPs (57.9% and 41.5%, respectively). The biogenic-aerated ARP option is a cost-effective and land-saving alternative with effluent quality suitable for restricted agricultural irrigation. The ARPs utilizing a new algae-biofilm design concept should be investigated at a large scale to enhance the information available to relevant decision makers, who are seeking sustainable on-site wastewater treatment alternatives.
The Preparation of Wax Emulsions Stabilized by C5 Petroleum Resin

Wax emulsions were prepared by using paraffin wax and oxidized wax as raw materials, compound Wb-L as emulsifier, and C5 petroleum resin as stabilizer. Its performance was studied. The results showed that when M C5 petroleum resin r/M wax and oxidized wax = 0.20, M emulsifier/M wax and oxidized wax = 0.50, M water/M wax and oxidized wax = 2.50, emulsifying time was 30 min, emulsifying temperature was 90–95°C, and stirring speed was 1,100 r/min, wax emulsions with good stability, dispersibility, and monodisperse particle size were obtained, giving a preservative solution in pencil board production.
Ab initio study of structural, elastic, and high-pressure properties of rubidium halides RbX (X = F, Cl, Br and I)

We present first-principle calculations on the structural, elastic, and high-pressure properties of rubidium halides compounds, using the pseudo-potential plane-waves approach based on density functional theory, within the generalized gradient approximation. Results are given for lattice constant, bulk modulus and its pressure derivative. The pressure transition at which these compounds undergo structural phase transition from NaCl-type to CsCl-type structure are calculated and compared with previous calculations and available experimental data. The elastic constants and their pressure dependence are calculated using the static finite strain technique. We derived the bulk and shear moduli, Young's modulus and Poisson's ratio for ideal polycrystalline RbF, RbCl, RbBr, and RbI aggregates. We estimated the Debye temperature of these compounds from the average sound velocity.
Direct Observation of the Valence Band Edge by in Situ ECSTM-ECTS in p-Type Cu2O Layers Prepared by Copper Anodization

Polycrystalline Cu2O layers have been selectively grown by electrochemical anodization of polycrystalline Cu electrodes in an alkaline medium (pH 12.85). Uniform layers with thicknesses around 100 nm have been obtained. Using electrochemical impedance spectroscopy, it was concluded that the Cu2O films behave as a p-type semiconductor. The Mott−Schottky plot gives a value for the flat band potential of UFB = −255 mV vs silver/silver chloride electrode (SSC), an estimated carrier density NA = 6.1 × 1017 cm−3, and the space charge layer width was calculated to be WSCL = 9 nm at a band bending of 120 mV. The electronic structure of the Cu|Cu2O|electrolyte interface was for the first time probed by in situ electrochemical tunneling spectroscopy. The use of in situ electrochemical scanning tunneling microscopy allows us to directly observed the valence band edge and determine its position against the absolute energy scale to be EVB = −4.9 eV. Finally, we constructed a quantitative electronic diagram of the Cu|C.
Sulfate in diesel exhaust

Experiments were conducted to determine the chemical form of sulfate emissions from diesel-powered light-duty vehicles. A controlled-condensation sampling procedure was used to analyze the chemical speciation of vehicle sulfate emissions. Sulfuric acid was found to be the major sulfate species present in diesel exhaust. Diesel sulfate emissions are not proportional to fuel sulfur level. The effect of an experimental oxidation catalyst on diesel sulfate emissions was examined. (1 diagram, 33 references, 3 tables)
The Sordariomycetes: an expanding resource with Big Data for mining in evolutionary genomics and transcriptomics

Advances in genomics and transcriptomics accompanying the rapid accumulation of omics data have provided new tools that have transformed and expanded the traditional concepts of model fungi. Evolutionary genomics and transcriptomics have flourished with the use of classical and newer fungal models that facilitate the study of diverse topics encompassing fungal biology and development. Technological advances have also created the opportunity to obtain and mine large datasets. One such continuously growing dataset is that of the Sordariomycetes, which exhibit a richness of species, ecological diversity, economic importance, and a profound research history on amenable models. Currently, 3,574 species of this class have been sequenced, comprising nearly one-third of the available ascomycete genomes. Among these genomes, multiple representatives of the model genera Fusarium, Neurospora, and Trichoderma are present. In this review, we examine recently published studies and data on the Sordariomycetes that have contributed novel insights to the field of fungal evolution via integrative analyses of the genetic, pathogenic, and other biological characteristics of the fungi. Some of these studies applied ancestral state analysis of gene expression among divergent lineages to infer regulatory network models, identify key genetic elements in fungal sexual development, and investigate the regulation of conidial germination and secondary metabolism. Such multispecies investigations address challenges in the study of fungal evolutionary genomics derived from studies that are often based on limited model genomes and that primarily focus on the aspects of biology driven by knowledge drawn from a few model species. Rapidly accumulating information and expanding capabilities for systems biological analysis of Big Data are setting the stage for the expansion of the concept of model systems from unitary taxonomic species/genera to inclusive clusters of well-studied models that can facilitate both the in-depth study of specific lineages and also investigation of trait diversity across lineages. The Sordariomycetes class, in particular, offers abundant omics data and a large and active global research community. As such, the Sordariomycetes can form a core omics clade, providing a blueprint for the expansion of our knowledge of evolution at the genomic scale in the exciting era of Big Data and artificial intelligence, and serving as a reference for the future analysis of different taxonomic levels within the fungal kingdom.
Thyroid dysfunction in young, first-episode and drug-naïve patients with major depressive disorder: prevalence and associated clinical factors

Objective The incidence of thyroid dysfunction (TD) and major depressive disorder (MDD) is increasing year by year in the general population. However, the prevalence and correlates of TD in first-episode drug-naive (FEDN) MDD patients have not been explored. This study sought to fill this gap and examine the association between TD and MDD. Methods We recruited 1,289 FEDN MDD patients aged 18 ~ 45 years. A total of 1,289 FEDN MDD outpatients were recruited. Demographical and suicide data were collected for each patient, and lipid profiles, thyroid function, and fasting blood glucose (FBG) levels were measured. The Hamilton Depression Scale 17 (HAMD-17) was assessed for depression. Results The prevalence of TD in young FEDN MDD patients was 64.86%. Compared with those without TD, patients with TD had longer duration of illness, greater HAMD score, higher BMI, TG, TC, and LDL-C levels, and higher suicide attempt rates, but lower HDL-C and FBG levels. Further logistic regression indicated that duration of illness, HAMD score, TC, HDL-C, BMI, and FBG levels were significantly associated with TD. Limitations No causal relationship can be drawn due to the cross-sectional design. Conclusion TD is common in young FEDN MDD patients. So clinicians should monitor thyroid function in patients with MDD.