Miracle-dz/UniFAR-FTUs huggingface dataset:
Characterization of plasma polymers of acrylic acid and propanoic acid

Plasma polymers of acrylic (propenoic) acid and propanoic acid were prepared from inductively coupled, radio-frequency-induced plasmas excited in vapors of the starting materials. The plasma polymers were characterized by X-ray photoelectron spectroscopy (XPS), infrared reflection absorption spectroscopy (IRAS), and static secondary-ion mass spectrometry (SIMS). Detailed interpretation of the spectra allows determination of the distribution of chemical functionalites at the surface of the product and of the influence of unsaturation and plasma power on this distribution. The results are discussed in the context of previously proposed mechanisms of plasma polymerization of the compounds under investigation.
Optimizing soil and plant responses to land-applied manure nutrients in the Great Plains of North America

Animal manures are recognized as valuable sources of plant nutrients in cropping systems and also play a role in soil improvement through the input of organic matter. Using recent research examples from Saskatchewan and Colorado, this paper covers beneficial management practices for effective recycling of manure nutrients applicable to the Great Plains region of North America. Challenges in using animal manures as fertilizers include low nutrient content per unit weight, variability and availability of nutrient content, and a balance of available nutrients that often does not meet the relative nutrient requirements of the crop. Examples of imbalances that may arise requiring special management considerations include low available N content relative to available P for many solid manures, and low available S relative to N for some liquid manures. Application decisions are best supported by manure and soil analyses, with nutrient balance issues addressed by rate adjustments and the addition of supplemental c.
Mineral nitrogen dynamics in the casts of epigeic earthworms (Metaphire hilgendorfi: Megascolecidae)

Quantitative evaluation of earthworm activity and temporal dynamics of cast stability are necessary to understand the importance of nutrient cycling in soil ecosystem. To address how earthworm activity influences soil aggregation and mineral nitrogen (N), cast production rate of Metaphire hilgendorfi and N mineralization rate in the casts were monitored for 56 days under laboratory conditions. The casting rate was 0.79 g dry weight (DW) g−1 earthworm fresh weight (FW) day−1 and 92% of the casts were water-stable within 24 h of excretion. The casts within three days of excretion contained 333.8 mg ammonium-nitrogen ( -N) kg−1 and 11.1 mg nitrate-nitrogen ( -N) kg−1, which were 69.8 and 0.95 times higher than those of the soil, respectively. M. hilgendorfi excreted 270 µg N g−1 earthworm FW day−1 through their casting activity. Soil respiration was active in the first two weeks, whereas dissolved organic carbon in casts did not change during aging. Cast -N was nitrified rapidly with subsequent decrease in pH value from 6.5 to 5. Nitrification stopped at 28 days when half of the -N was nitrified. Gentle crushing of casts did not significantly influence respiration nor N mineralization. Therefore microbial access to neither carbon nor N was responsible for the nitrification cessation, but pH appeared to contribute. Dynamic changes in mineral N was observed during cast aging.
A New Tigliane-Type Diterpenoid from Daphne genkwa

showed the inhibitory effect on the nitric oxide(NO) production in RAW 264.7 cells. NO plays a key role inneurotransmission, control of blood pressure, and cellulardefense mechanisms. However, an enormous and uncontrol-lable amount of NO, is synthesized by inducible NO syn-thase, is responsible for inflammation.
The software package ANAELU for X-ray diffraction analysis using two-dimensional patterns

A new software package for interpreting two-dimensional diffraction diagrams is presented. The application capabilities include representation of single- and polycrystal structures with an inverse pole figure treatment of texture phenomena, measurement and analysis of diffraction signals, and different approaches to the modelling of two-dimensional diffraction patterns obtained from both single-crystal and polycrystalline samples. Particular consideration is given to the effect of axially symmetric textures on two-dimensional diffraction patterns. An example showing the capabilities of the software is presented.
The nature of the glass transition and the excess low-energy density of vibrational states in glasses

It is shown that the excess low-energy (2-10 meV) density of vibrational states (LEDOS) in glasses leads to an increase of the mean-square atomic displacements (R2) in comparison with the case of crystalline counterparts. The estimations show that due to the excess LEDOS (R2) at the glass temperature, Tg in glass is the same as in its crystalline counterpart at the melting point Tm. The relation between Tg and Tm is expressed through the parameters of the excess LEDOS and is shown to be in good agreement with the experimental rule Tm/Tg approximately=3/2. A criterion of glass-forming ability, based on the important role of the excess LEDOS, is formulated.
Effets moteurs et cognitifs de la danse pour des jeunes ayant une paralysie cérébrale

La paralysie cerebrale (PC) entraine des troubles moteurs (notamment de l’equilibre et de la marche). Elle peut egalement entrainer des troubles cognitifs (notamment de l’attention) et avoir des repercussions psychosociales importantes. Les approches reeducatives doivent etre globales pour prendre en compte l’ensemble de ces dimensions pouvant etre touchees par la PC. La danse est une activite physique qui entraine des ameliorations motrices, cognitives et psychosociales aupres de differentes populations ayant des troubles d’origine neurologique. Elle peut etre consideree comme une forme d’entrainement rythmique impliquant la synchronisation des mouvements au rythme de la musique (synchronisation sensorimotrice), et il serait interessant d’etudier davantage ce mecanisme dans la population ayant une PC. Trois etudes ont ete menees afin de (1) valider les effets globaux d’interventions en danse chez les personnes ayant une PC et (2) etudier un des mecanismes pouvant contribuer a ces effets aupres de jeunes ayant une PC. La premiere contribution de cette these est de proposer une etude de la portee concernant les effets d’interventions en danse aupres de personnes ayant une PC. Dans une etude experimentale, nous avons ensuite evalue les effets d’une intervention en danse en contexte reeducatif sur des fonctions et activites motrices (equilibre et marche) et des fonctions cognitives (attention et production rythmique) d’adolescent.e. s ayant une PC. Enfin, une etude experimentale a permis d’explorer les capacites de production rythmique d’enfants ayant une PC en evaluant leur synchronisation sensorimotrice a differents tempi. Nos resultats montrent que la pratique de la danse pour des personnes ayant une PC entraine des bienfaits moteurs et de potentiels bienfaits cognitifs et psychosociaux, malgre un faible nombre de travaux scientifiques sur le sujet (Etude 1). Ces resultats sont confirmes par l’amelioration significative des performances d’equilibre et de production rythmique dans le groupe d’adolescent.e. s ayant participe a notre programme d’intervention en danse (Etude 2). Nos resultats suggerent egalement que les enfants ayant une PC ont des habiletes rythmiques partiellement preservees, et que les interventions en danse basees sur le rythme devraient en tenir compte (Etude 3). La danse apparait comme une approche prometteuse en reeducation et ses bienfaits potentiels aux niveaux cognitif et psychosocial devraient etre davantage etudies a l’avenir.
A Structural Model for the Photosynthetic Oxygen Evolving Manganese Complex

EXAFS and XANES spectra of photosystem II preparations from spinach and Synechococcus in the S1 and S2 states are presented. The structure, oxidation state, and the role of the cofactors calcium and chloride are discussed. A structural model for the Mn complex in photosystem II is proposed.
Atmospheric evolution of organic aerosol

We report here results of an experimental study of the OH‐initiated oxidation of solid organics in the presence of O2, NOx and H2O, using two kinds of self‐assembled organic monolayers (alkane and aromatic), paraffin and pyrene films as proxies for organic aerosol. We show that the OH‐initiated oxidation of the alkane surfaces leads to rapid volatilization. The gas‐phase products detected include HO2, H2O2, CO, CO2, HCO, CH2O, CH3CHO, CH3OH, and HCOOH. We conclude that volatilization is at least as efficient as wet deposition as a removal process for aliphatic particulates, whereas aromatic particulates show higher stability towards volatilization.
Photocatalytic oxidation of the textile dye basic red 18 with irradiated titanium dioxide

One of the major problems of textile wastewater is the presence of dye materials, because colour is visible to the public even if the dye concentration is lower than other pollutants, and needs therefore to be removed from the wastewater before it is discharged. Techniques based on “advanced oxidative processes” such as photocatalysed oxidation seem to be very promising for industrial wastewater treatment, especially for decolourization of textile effluents. In this work, we describe the photocatalytic degradation of the textile dye Basic Red 18 (BR 18) in aqueous solution using two different types of TiO2 as photocatalyst: Degussa P25 (80% anatase) and Framitalia (100% anatase). Photooxidation of BR 18 was followed by HPLC analysis, and kinetic parameters were evaluated in order to optimise the treatment procedure. The results obtained in this work showed that the colour became virtually zero and the chemical oxygen demand (COD) is strongly reduced at the end of the treatment. The obtained results are compared with the efficiency of decolourization using the H2O2/UV System. Finally, marine mussel test was used to evaluate the efficiency of photocatalytic oxidation with TiO2 in terms of ecotoxicity. A significant reduction of cumulative mortality was observed for the treated effluent.
Rational designs of multifunctional polymers

The Stille coupling reaction has been used to synthesize a novel type of multifunctional polymer that contains a conjugated backbone and a second-order NLO chromophore. The expectation that the polymers will possess photorefractivity is the design idea behind the structure of the polymers. Because the conjugated backbone absorbs photons in the visible region and is photoconductive, it is expected to play the triple role of charge generator, charge transporter, and backbone. Thus, the four functionalities necessary to manifest the PR effect will exist simultaneously in a single polymer. The second harmonic generation and the photoconductivity measurements revealed that the polymers are non linear optically active and photoconductive
Complexation of methylammonium salts and sugar-related alcohols with resorcinol cyclic tetramer in water: An implication of the CH-π interaction on polar guest binding

Abstract Methylammonium cations and sugar-related alcohols are bound to the tetrasulphonate derivatives 1a-1c of the resorcinol cyclic tetramer in water. With respect to the change in substituent X on C-2 of the benzene rings of the host, both 1b (X = CH3, highly hydrophobic and moderately electron-donating) and 1c (X = OH, highly hydrophilic and highly electron-donating) exhibit higher binding abilities than the parent host 1a (X = H). These results suggest that the CH-π interaction, involving polarized C-H bonds of the guest and electron-rich benzene rings of the host, makes a substantial contribution to the guest-binding process. Host 1c even binds more hydrophilic dioxygen-functionalized sugar models (cis-1,2-cyclohexanediol, 2-oxacyclohexyl-1-carbinol and 2-oxacyclopentyl-1-carbinol) more strongly than the corresponding more hydrophobic mono-ols (cyclohexanol, cyclohexylcarbinol and cyclopentylcarbinol).
Camostat in COVID-19

Covid-19 has rapidly become greatest human tragedy of all time. Its huge dimension and speed world over has caught everybody unaware. After a short pause scientific community has risen strongly to the cause of finding remedy for this menace which started in the end of 2019 in Huanan wet market of Wuhan, China. While there are a number of compounds [1] attracting interest for trial in COVID-19 of some drugs with minimal proof are prescribed considering emergent situation. Recent blanket permission of use of hydroxychloroquine by FDA is a case in point. One such compound is camostat which is approved for other indication and which has a very interesting mechanism of action. It has very long and interesting history and recently gained interest as an alternative treatment for covid-19.
A carbon-13 nuclear magnetic resonance study of thiol-exchange reactions of gold(I) thiomalate (‘Myocrisin’) including applications to cysteine derivatives

Reactions at pH 7 between gold(I) thiomalate and a variety of thiols with pKSH values ranging from 7.6 (thioglucose) to 10.2 (mercaptoacetate) have been studied by 13C n.m. r. spectroscopy. New species [Au(SR)n]1–n, where n appears to be less than 2, are formed and thiomalate is readily displaced, especially by thiols with low pKSH. The latter are in fast exchange with AuI on the n.m. r. time scale. Similar activation parameters have been derived for thiomalate, N-acetyl-L-cysteine, and mercaptoacetate exchange (ΔG‡ 63 kJ mol–1, ΔS‡–145 J K–1 mol–1, EA 22 kJ mol–1)via a line-shape analysis of 13C n.m. r. spectra at different temperatures. Thiol exchange rates increase at high pH, but at low pH 1:1 polymers are more stable than [Au(SR)n]1–n species.
An Unprecedented Self-Assembled Porous Framework Constructed by Intermolecular S…S Contacts

Department of Chemistry, Soongsil University, Seoul 156-743, KoreaReceived April 30, 2012, Accepted May 8, 2012Key Words : ET, Ferrocene, Self-assembly, Porous fra mework, Intermolecular S···S contact In contrast to the polar hydrogen bond donor-acceptorpairs, thiol-containing moieties are not regarded as goodhydrogen bond tectons due to their insufficient polarity.
Determination of labile Cu in soils and isotopic exchangeability of colloidal Cu complexes

Measurement of labile (isotopically exchangeable) pools of metals (E values) in soil is required to assess the size of metal pools potentially available to soil organisms, from both a micronutrient deficiency and metal toxicity viewpoint. In this paper, E values of soil Cu were measured by an isotope dilution technique using different solution extracts – water with and without resin purification, water coupled with Donnan dialysis (free ion determination) and 0.01 m CaCl2. Using these techniques, the isotopic exchangeability of Cu species in water extracts was investigated. The results showed that the specific activity of 64Cu in the water‐soluble fraction was less than in the free metal ion fraction or in the fraction that adsorbed to resin. The isotopically non‐exchangeable Cu in water extracts ranged between 4% and 40% of water‐soluble Cu (16% on average), and appeared to be associated with dispersed colloids. The existence of isotopically non‐exchangeable Cu in water extracts led to overestimation (17.7% on average) of isotopically exchangeable Cu in soils when based on the specific activity in water extracts. The method of isotope dilution coupled with resin extraction is recommended for the determination of isotopically exchangeable Cu in soils when water extracts are used.
Is there a Harrod-Balassa-Samuelson effect? New panel data evidence from 28 European countries

Harrod-Balassa-Samuelson phenomenon describes the relationship between productivity and price inflation within different sectors of a particular economy, where the sectoral productivity differential stands as one of the possible drivers of the (structural) price inflation. The Harrod-Balassa-Samuelson effect could therefore represent an additional inflation source of the economy. From an economic policy perspective it is important to address this issue, in order to contain inflation sufficiently low with adequate policy measures. Using a dynamic panel data model the Harrod-Balassa-Samuelson hypothesis is tested and confirmed by applying a strict distinction between the sectoral price inflation and the average labour productivity growth data from the 1990-2017 period for 28 European countries. Additionally, we provide inflation simulations based on the results that confirm the existence of the Harrod-Balassa-Samuelson effect.
Macroporous 3D Architectures of Self-Assembled MWCNT Surface Decorated with Pt Nanoparticles as Anodes for a Direct Methanol Fuel Cell

Microchannelled 3D architectures composed of multiwall carbon nanotubes (MWCNTs) surface decorated with Pt nanoparticles and chitosan (CHI) are prepared by an ice segregation induced self-assembly (ISISA) process. The microchannelled structures are highly porous (specific gravity ∼10-2) and exhibit excellent electron conductivity (2.5 S·cm-1) thanks to both the high content of MWCNTs (up to 89 wt %) and their interconnection. The Pt/MWCNT/CHI 3D architectures provide remarkable performance as anodes for a direct methanol fuel cell (DMFC).
Calculation of the Affinity of the λ Repressor-Operator Complex Based on Free Energy Component Analysis

A calculation of the binding free energy of the u repressor-operator complex is described based on free energy component analysis. The calculations are based on a thermodynamic cycle of seven steps decomposed into a total of 24 individual components. The values of these terms are estimated using a combination of empirical potential functions from AMBER, generalized Born - solvent accessibility calculations, elementary statistical mechanics and semiempirical physicochemical properties. Two alternative approaches are compared, one based on the crystal structure of the complex and the other based on the molecular dynamics simulation of the u repressor-operator complex. The calculated affinity is m 19.7 kcal/mol from the crystal structure calculation and m 17.9 kcal/mol from the MD method. The corresponding experimental affinity of the complex is about m 12.6 kcal/mol, indicating reasonable agreement between theory and experiment, considering the approximations involved in the computational methodology. The results are analyzed in terms of contributions from electrostatics, van der Waal interactions, the hydrophobic effect and solvent release. The capabilities and limitations of free energy component methodology are assessed and discussed on the basis of these results.
Dried Biomass of Activated Sludge for Cu2+ Adsorption: Behaviors and Mechanisms

Activated sludge was tested for its ability to remove Cu2+ from aqueous solution. The effects of various experimental parameters (initial pH, initial Cu2+ concentration, adsorbent dosage, and temperature) on Cu2+ adsorption were evaluated. The Langmuir isotherm model well described the adsorption of Cu2+ onto activated sludge. The pseudo-second-order kinetic equation was appropriate for describing the kinetic performance of the sorption. Furthermore, Webber–Morris models indicated that the sorption of Cu2+ was generally found to involve with the intraparticle diffusion process. Parameters of adsorption thermodynamic suggested that the interaction of Cu2+ adsorbed by sludge was spontaneous and exothermic. Activated sludge was characterized by Fourier transform infrared spectroscopy analysis and results showed that active groups such as –OH, –COOH, –NH2 were involved in Cu2+ adsorption. Zeta potential analysis demonstrated inner-sphere adsorption for Cu2+ adsorption on sludge.
Funktionalisierung von einwandigen Kohlenstoffnanoröhren

Durch chemische Funktionalisierung einwandiger Kohlenstoffnanorohren werden die Voraussetzungen fur mogliche Anwendungen solcher Nanostrukturen geschaffen. Derivatisierte Rohren zeichnen sich im Unterschied zum Rohmaterial u. a. durch eine gute Loslichkeit aus und sind so einer umfangreichen Charakterisierung und Folgechemie zuganglich. Gangige Derivatisierungsmethoden umfassen die Defekt- und kovalente Seitenwandfunktionalisierung sowie die nichtkovalente exo- und endohedrale Funktionalisierung. Auf diese Weise wurde z. B. eine Reihe von seitenwandsubstituierten, polymerumwickelten oder gastmolekulhaltigen Nanorohren erhalten. Der gegenwartige Stand der Forschung wird in diesem Kurzaufsatz vorgestellt.
Condensed Phase Behavior in the Combustion of Ammonium Dinitramide

This paper reports on the thermal and combustion behaviors of ammonium dinitramide (ADN). The thermal behavior is measured by a pressure thermogravimetric analysis (TGA) at pressures below 8 MPa. The burning rates of pure ADN and ADN/ammonium nitrate (AN) mixtures are measured in the range 0.2–12 MPa, and the burning temperature profiles are obtained using thermocouples with diameters of 5 and 25 μm. This report mainly focuses on the condensed-phase behavior in the vicinity of a burning surface. The temperature profiles are complicated because the ADN decomposition and AN dissociation compete during the condensed phase, and the bubbles of the decomposition gas and gas-phase flame also affect the surface temperature. AN addition helps to understand the effects of AN during the condensed phase, and it was shown that the burning temperature rises to the critical temperature of AN. Based on these experimental results, the pressure dependency of the burning rates is also discussed.
Effects of curing temperature and UV intensity on electro-optical properties of PSCT reverse-mode light shutters

Effects of curing temperature and UV intensity on electro- optic properties of polymer stabilized cholesteric texture reverse-mode light shutters have been studied. Scanning electron studies indicate that increasing the curing temperature generally results in a larger average mesh size within polymer networks. The cell polymerized at correspondingly low temperature has a stable OFF state (planar texture) while the driving voltage is high. Increasing the curing intensity results in a more dense network and the strands are smooth and thin. The cells prepared with low UV intensity exhibit high contrast and low driving voltage, while the response time is slower than those prepared with high UV intensity.
Loss of nitrogen through ammonia volatilisation during and following the application of pig or cattle slurry to grassland

The micrometeorological mass balance method was used to determine ammonia (NH3) volatilisation following the application of pig or cattle slurry to grassland at sites in the UK and The Netherlands. This method involved the measurement of wind speed and the concentration of NH3 in air at 5 or 6 heights above a treated area; the results were compared with those from a simpler method, which required measurements at only one height. In addition, measurements were made of the amounts of NH3 lost from slurry whilst it was being spread on land with a conventional tractor-drawn vacuum tanker. Some of the factors influencing volatilisation were examined. Losses of NH3N after spreading were equivalent to between 5 and 27% of the total nitrogen (TV) applied in pig slurry and to 23% for a single experiment with cattle slurry. Despite smaller application rates, losses were greater in The Netherlands than in the UK, apparently because of differences in slurry composition. Losses during spreading represented less than 1% of the total over a 3-day period. Up to 85% of the total loss of NH3-N occurred within 12 h of application, the highest rate of loss (12.1 kg NH3-N ha−1 h−1 being recorded immediately after the application of pig slurry in The Netherlands. Results from the single height method were not significantly different from those obtained by the mass balance method.