Miracle-dz/UniFAR-FTUs huggingface dataset:
Removal of organic contaminants in paper pulp effluents by AOPs: an economic study

The degradation of the organic content of a bleaching Kraft mill effluent was carried out using Advanced Oxidation Processes (AOPs). The study was focused on the identification of the AOP, or combination of AOPs, that showed the highest efficiency together with the lowest cost. Direct UV photolysis (UV), TiO2 assisted-photocatalysis (TiO2/UV), Fenton, Fenton-like, and photo-Fenton reactions (Fe(II)/H2O/UV), UV-assisted ozonation (O3/UV) and addition of Fe2+ and/or H2O2 to the TiO2/UV and the O3/UV systems, were used for the degradation of a conventional cellulose bleaching effluent. The effluent was characterized by the general parameters TOC, COD and color, and analyzed for chlorinated low molecular weight compounds using GC–MS. The costs of the systems per unit of TOC reduction were compared. Fenton, Fenton-like and photo-Fenton reactions achieved better levels of TOC degradation than photocatalysis and with lower cost's than photocatalytic treatments. Ozonation is an effective but rather expensive process. The use of UVA light, however, increased the effectiveness of ozonation with a significant decrease (>25%) in the operational cost. © 2002 Society of Chemical Industry
MOLECULAR-DYNAMICS OF A BILAYER-MEMBRANE

A molecular dynamics simulation was carried out for a bilayer of 2 × 64 decane molecules as a model for a biological membrane. Two dimensional periodic conditions were used and head groups were subjected to a simple mean force interaction. Four runs at two different temperatures and head group densities were executed, each over 80 ps. Molecular order parameters were analysed and compared with experiment. A fluctuating tilt of the molecules occurs with respect to the bilayer normal with a spatial correlation of about 1 nm and a temporal correlation of 8 ps. The molecules do not rotate isotropically around their long axes, and a different behaviour of odd and even numbered bonds is apparent. The density profile shows a dip near the middle of the bilayer and the lateral pressure profile shows a negative region near the head groups compensated by a positive region near the tails. Translational diffusion is inhibited by a long negative tail of the velocity autocorrelation function, but still exceeds experiment.
The effect of customer reciprocity on e-loyalty through relationship quality: an international perspective.

One of the key questions facing e-tailers centres on how to keep customers loyal when competitors are only a ‘click away’. In addressing this question the reciprocal behaviour of customers is investigated in response to retailer investments online. This paper puts forward the argument that online retailer investments or ‘efforts’ perceived to have been made by the consumer will positively affect the strength of the relationship between retailers and consumers through relationship quality and so in turn e-loyalty. This paper further proposes that the strength of the relationship will vary amongst the individual dimensions of relationship quality (online ongoing trust, online relationship satisfaction and online affective commitment). Empirical data is collected from four significant retail e-commerce markets; China, India, UK and US to provide an international perspective. The apparel and consumer electrical sectors have been chosen due to their popularity as online product categories and competitive market structures. Findings show strong support for this argument across China, India, UK and the US. Positive relationships are found between investments retailers make online and the individual dimensions of; online trust, satisfaction, and commitment. The weakest relationship across all four countries is found between online retailer investments and online relationship satisfaction. Slight variations have been found between the product sectors suggesting affective commitment is more significant in the apparel sector. The strongest relationships are found between online retailer investments and trust in China, India and the US, and with affective commitment in the UK. Data was collected from 1011 usable online surveys.
Biomimetic Membrane Transport: Interesting Ionophore Functions of Naturally Occurring Polyether Antibiotics toward Unusual Metal Cations and Amino Acid Ester Salts

In an effort to develop new functionalities of naturally occurring ionophores, we designed a new biomimetic membrane transport system mediated by monensin, and salinomycin. Under nonbiological conditions, these ionophores specifically transported unnatural guest species such as amino acid ester salts and heavy and transition metal cations. Liquid-liquid extraction and 13 C-NMR binding experiments clearly demonstrated that these biological ionophores accomaodated various guest cations in their pseudocavities and that the overall transport rate was significantly determined by a combination of rates of guest binding and releasing processes
On the Reciprocal Relations of Onsager

Given any linear relation between forces and fluxes in irreversible thermodynamics, it is shown that redefinition of forces and fluxes by linear combination yields a relation with symmetric matrix. The rate of production of entropy is unchanged by the redefinition. Thus, unless ``forces'' and ``fluxes'' are defined by some property more specific than mere occurrence in the expression for production of entropy, there is no content in the statement that the matrix of phenomenological coefficients is or is not symmetric.
Salt Inhibition of Nitrification and Denitrification in Saline Wastewater

Biological processes used for nitrification and denitrification of saline wastewater results in low treatment efficiencies because of plasmolysis or loss of activity of organisms in the presence of salt. However, adverse effects of salt on performance of nitrification/denitrification processes has not been systematically investigated and mathematically formulated. Biological nitrification and denitrification of synthetic wastewater containing different concentrations of salt were investigated in this study. Effect of salt concentration on the system performance was investigated. Salt concentrations above 2% resulted in significant reductions in performances of both nitrification and denitrification. Denitrification was more sensitive to salt compared to nitrification. A mathematical model was developed and the salt inhibition constants were determined using the experimental data.
Modification of Cyclosporin A (CS): Generation of an enolate at the sarcosine residue and reactions with electrophiles

Strong bases (lithium diisopropylamide (LDA) or BuLi) convert cyclosporin A (CS) to hexalithio derivative containing a Li alkoxide, four Li azaenolate, and one Li enolate units. The Li6 compound is solubilized in tetrahydrofuran (THF) by addition of excess LDA or LiCl. Reactions with electrophiles (alkyl halides, aldehydes, ClCO2R, CO2, (RS)2, D2O) at low temperatures give products containing new side chains in amino-acid residue 3 of the cyclic undecapeptide (see 1–13, Schemes 1, and 2, and Figs. 1 and 2) in moderate to high yields and, with Re- or Si-selectivities, depending upon the conditions of lithiation of up to 7:1, Pure CS derivatives (Scheme 2, Table 1 in the Exper. Part) can be isolated by column chromatography. N-Alkylations or cleavage of the peptide backbone by carbonyl addition occur only at higher temperatures and/or with prolonged reaction times (see 14 and 15 in Scheme 4). Very little or no epimerization of stereogenic centers occurs under the conditions employed. Possible reasons for the feasibility of these surprizing conversions of CS are discussed (Schemes 4 and 5 and Fig. 3). For comparision, [MeAla3]CS (2b) and [D-MeAla3]CS (2a) were also prepared by conventional peptide synthesis in solution (Schemes 6 and 7). Their 1H- and 13C-NMR spectra are compared with those of CS (Table 2 in the Exper. Part).
Alcohols and bio-alcohols steam and autothermal reforming in a membrane reactor

Considerable work has been reported concerning catalytic steam reforming, partial oxidation and oxidative steam reforming (autothermal reforming) aimed at hydrogen generation from alcohol-water mixtures. They include methanol, ethanol, glycerol, and the exploitiation of renewable bio-alcohols. The use of catalytic membrane reactors, with simultaneous generation and separation of hydrogen, appears as an attractive approach to optimize downstream separation and to substantially simplify on-site/on-demand alcohol reformers. Catalytic membrane reactors reduce capital costs by combining the reforming process and hydrogen separation in one system, allow an enhancement of the alcohol conversion of the equilibrium-limited reforming processes, and are able to directly produce a high purity hydrogen stream for feeding fuel cells if dense Pd-based membranes are used.
INTENSIVE TILLAGE EFFECTS ON SPATIAL VARIABILITY OF SOIL TEST, PLANT GROWTH, AND NUTRIENT UPTAKE MEASUREMENTS

Spatial variability and relationships between soil chemical properties, plant growth, and nutrient uptake in an intensively tilled field have not been well documented. Our objective was to examine the spatial variability and positional similarities between soil chemical and plant properties and to determine sample size requirements for assessing these relationships.The research was conducted on a Bertie silt loam (fine-loamy, mixed, mesic Aquic Hapludult) near Wye Research and Education Center at Wye Mills, Maryland.Tillage-related operations are provided in the accompanying manuscript. Rye grass (Secale cereale L. ) was planted in October 1987. Samples were taken at 1-m intervals in April 1988 along two parallel 45-m transects in the East-West direction and two parallel 37-m transects in the North-South direction. Plant tissue was hand-clipped from an area of 0.1 m 2 and subsequently analyzed for biomass, plant nitrogen (N), phosphorus (P), and potassium (K). Disturbed soil samples were taken from the 0- to 15-cm depth and analyzed for soil nitrate nitrogen (NO 3 -N), P, K, calcium (Ca), magnesium (Mg), pH, and organic matter (OM). Plant tissue macronutrients exhibited minimal differences in the coefficients of variation (CV) with values near 25%. Soil N, P, K, and Ca generally showed similar CV values of 15 to 20%. Magnesium, pH, and OM concentrations generally exhibited CVs of less than 10%. Plant N and P exhibited strong spatial dependence,whereas biomass and plant K exhibited moderate spatial dependence.With the exception of P and Ca, all soil chemical properties exhibited moderate spatial dependence. There were few positional similarities between biomass production and plant macronutrient concentrations. Biomass exhibited strong positional similarities with soil NO 3 -N and pH, whereas soil NO 3 -N and plant N indicated positional similarities with increasing values. Soil OM and NO 3 -N had similar patterns for high measured values. Soil and plant P exhibited strong positional similarities, but this was not true for soil K or plant K uptake, indicating other factors may be involved. After intensive tillage, the sample size requirements were lower for soil properties than for plant properties. We conclude that it is inappropriate to make recommendations on equal sample size for plant and soil properties unless the properties exhibit the same degree of variability.
Formation of periodic steps with a unit-cell height on 6H-SiC (0001) surface by HCl etching

Step bunching on 6H–SiC (0001)-vicinal face etched by HCl at 1300–1500 °C is investigated by atomic force microscopy. When the substrate has the inclination toward near 〈0110〉 or even 〈1120〉, continuous parallel and periodic microsteps with six-bilayer height are laid perpendicular to the off direction, although those perpendicular to 〈1120〉 are apt to decompose into three bilayer or less. Formation mechanism of unit-cell-height steps is discussed based on consideration of bond configuration at step edges.
Screening and evaluation of natural coagulants for water treatment

In developing countries many people are forced to drink turbid water and as a consequence many children are dying related to water borne diseases. Hence there is a need for inexpensive and easy methods to purify drinking water. The objective of this research is to screen different plant seeds to find a primary natural coagulant able to reduce the turbidity of the drinking water. The protein from 21 different seeds was extracted with water and salt solution and coagulation properties in synthetic clay solution were studied. The crude extract of Moringa oleifera (MO) showed the same coagulation activity as that of alum. The protein from red bean, sugar maize and red maize were promising in having coagulation activity, compared with a known coagulant protein from MO. These seeds were selected and purified to homogeneity with fast flow Sepharose ion exchange chromatography and the properties of the purified proteins were characterized. The characteristics of these coagulant proteins are different from MO protein based on molecular weight and ionic determinations. The coagulant proteins were temperature tolerant and can withstand temperature of around 85 °C and maintain the coagulation activity. The seeds identified as a coagulant source could be used as an alternative to chemicals for drinking water clarification.
Intramolecular sulphonyl‐amidomethylation. Part I. Cyclization of benzylsulphonamides

Cyclization of benzylsulphonamides with aldehydes in strong acid media is a synthetically useful route to 3,4-dihydro-1H-2,3-benzothiazine 2,2-dioxides III. With insufficient acid strength or reaction time, kinetic products IV and VI are obtained; the latter compounds can be converted into the thermodynamic products III under stronger conditions. The reactions proceed via imine VII or iminium VIII compounds as common intermediates.
Slurry field management and ammonia emissions under Mediterranean conditions

In Spain, farmers are interested in applying pig (Sus scrofa domesticus) slurry (PS) to their fields throughout the year. During the spring and summer months, ammonia (NH3) volatilization may be high. We studied the potential range of NH3 losses under a warm and a hot period of the year, using available field practices, and two strategies: PS directly incorporated into the soil, in spring (I‐spring); and PS applied by splash‐plate, in summer time (SP‐summer), both to bare soil. Measurements were conducted, after PS application, using the micrometeorological mass balance integrated horizontal flux method. The cumulative NH3‐N volatilization was 35% (I‐spring) and 60% (SP‐summer) of total ammonium nitrogen applied, and half of the total NH3‐N losses happened by 17 h and 8 h, respectively, after application. Incorporation strategy was less effective in avoiding NH3 losses than is described in the literature. This fact has important consequences for the implementation of NH3 mitigation measures in Mediterranean agricultural systems.
Synthesis of New and Novel N-Protected 1-Aminoalkyl-2-naphthol Derivatives

Abstract A series of three-component reactions has been carried out using HClO4-SiO2 as a versatile heterogeneous catalyst. A series of new and novel N-protected 1-aminoalkyl-2-naphthol derivatives have been prepared under thermal solvent-free reaction conditions. In all cases, the reaction conditions were very simple and high-yielding.
Stereology. Proceedings of the Second International Congress for Stereology, Chicago, April 8-13, 1967 edited by H. Elias

By implication, the Preface defines stereology as 'discussion of problems concerning the recognition of three-dimensional structure', which should include most of crystallography as a special case. The Introduction explicitly defines stereology as the 'three-dimensional interpretation of flat images or extrapolation from twoto three-dimensional space', including the study of metal surfaces, geological and biological sections, and heavenly objects. Most of the sixtyodd papers in the Proceedings deal with biological problems, and none are specifically crystallographic. (One, by a metallurgist with crystallographic leanings, deals with ~sectioned textures in the decorative arts'.) Besides studies of specific structures, there are several papers of general interest, dealing with the mathematical methods of relating two-dimensional to three-dimensional distributions and similar problems, and papers dealing with instrumentation. The latter will be of particular interest to metallurgists and mineralogists. A group of six papers deals with reconstruction from serial sections; the superposition of transparent sheets representing successive sections of a three-dimensional electron-density synthesis is familiar to crystallographers, and one of the illustrations of a paper on neonatal biliary atresia bears an uncanny resemblance to such a map. The book is reproduced photographically from typescripts provided by the authors, and is inevitably very uneven in appearance, but it is everywhere easily legible. The papers range in length from half a page to a dozen pages. A worker in almost any field of science will find much in it to interest him, but there will be few who care to read the entire book.
The Extraction of Soluble Components from an Oil Paint Film by a Varnish Solution

Abstract This paper describes an investigation into the effects of a varnish applied to an oil paint film in terms of the extraction of soluble material from the paint film by the varnish solution. A series of oil paint films were coated with varnishes formulated with a range of resins and solvents. The extraction of fatty acids from the paint film into the varnish layer was measured by gas chromatographic analysis of the dried varnish film and of samples of the paint film before and after treatment. The quantities extracted were found to depend not only on the solvent used to apply the varnish but also on the resin component, with varnishes formulated with more polar, oxygenated resins extracting more than those made from nonpolar, hydrocarbon resin. The results are interpreted and discussed in the context of investigations of the effects of free solvents on oil paint films.
Multi‐functional initiator and poly(carboxybetaine methacrylamides) for building biocompatible surfaces using “nitroxide mediated free radical polymerization” strategies

Biomaterials generally suffer from rapid nonspecific protein adsorption, which initiates many deleterious host responses, and complex chemistries that are employed to facilitate cellular interactions. A chemical approach that, based upon current literature, combines a nonfouling architecture with a biomemtic cell-adhesive end-group, is presented. Namely, surface-initiated polymerization of zwitterionic [poly (carboxybetaine methacrylamide)] brushes, with controlled charge densities and phosphonate head groups. Nitroxide mediated free radical polymerization (NMFRP) was employed for various reasons: reduces presence of potentially cytotoxic organometallic catalysts common in atom transfer radical polymerization (ATRP); and it allows a phosphonate end-group instead of the common brominated end-group. Thermally oxidized silicon wafers were covalently functionalized with diethyl-(1-(N-(1-(3-(trimethoxysilyl)propylcarbamoyl)ethoxy)-N-tert-butylamino)ethyl)phosphonate. NMFRP was used to graft zwitterionic carboxybetaine methacrylamide monomers of varying inter-charge separation. The resulting thin films were characterized using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) and X-ray photoelectron (XPS) spectroscopy, ellipsometry, water contact angle analysis, and thermo gravimetric analysis (TGA). The effect of spacer group on the surface charge density was determined using zeta potential techniques. It is thought that this stratagem will facilitate the ability to tailor systematically both the interior and terminal polymer properties, providing a platform for further understanding how these conditions affect protein adsorption as well as cell-surface interactions. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Host-guest complexation. 36. Spherand and lithium and sodium ion complexation rates and equilibria

Parametres thermodynamiques et cinetiques pour la complexation par 3 spherands, des picrates de Li et Na dans CDCl 3 . Il s'agit d'hemispherands et de chorands. Mesure des constantes de vitesse de complexation et de decomplexation. On montre que l'ordre de fixation est spherand>cryptand>hemispherand>chorand>polyether acycliques
Anionic and cationic nanocomposite hydrogels reinforced with cellulose and chitin nanowhiskers: effect of electrolyte concentration on mechanical properties and swelling behaviors

Various nanocomposite gels were prepared using cellulose nanowhiskers (CNWs) or chitin nanowhiskers (ChNWs) as reinforcing fillers and hydroxypropyl cellulose (HPC), carboxymethyl cellulose (CMC), or chitosan as network polymers. The use of CNWs with low surface charge induced significant CNWs aggregations, which were well explained by depletion effect. Young's modulus E and swelling ratio Q of CNWs/HPC · CMC gels were highest at zero electrolyte concentration and decreased above 0.01 M electrolyte, whereas stress at break σ of the gels showed its minimum at zero electrolytes and increased with an addition of electrolytes. In the case of ChNWs/chitosan gels, maximum of E and Q was located at 0.01 M electrolyte concentration, and σ did not indicate clear tendency with electrolyte concentration. Although all gels indicated an increase in E and a decrease in Q with an increase in whisker content, the most remarkable changes were observed under an absence of electrolytes, whereas the changes under the presence of electrolytes were somewhat negligible. Copyright © 2014 John Wiley & Sons, Ltd.
Effect of Top Electrode Deposition Condition on Polarization Fatigue of RuO2 / Pb ( Zr , Ti ) O 3 / RuO2 Thin Film Capacitors

The effect of deposition condition of top electrodes on fatigue of RuO 2 /Pb(Zr,Ti)O 3 /RuO 2 film capacitors has been investigated. As RuO 2 top electrodes were deposited by reactive dc sputtering at higher O 2 partial pressure in Ar and O 2 mixture gas and/or dc power on a Ru target, the initial hysteresis loops and fatigue performance of Ph(Zr,Ti)O 3 (PZT) films with RuO 2 electrodes were deteriorated more significantly. In contrast, a Pt/PZT/RuO 2 capacitor showed fatigue endurance comparable to the best fatigue property observed in RuO 2 /PZT/RuO 2 capacitor. These phenomena were attributed to the sputtering damage generated at the top RuO 2 /PZT interface during depositing the top electrodes, which seemed to be caused by oxygen ion bombardment.
Heterogene Gasphasenkatalyse im Mikrowellenfeld

This work reviews microwave-assisted heterogeneous gas-phase catalysis. This special form of non-classical energy input by microwave radiation still represents a peripheral area of catalysis, alternative reaction ways, and of chemical and process engineering, with growing academical and industrial attractiveness. Experimental set-ups described in literature are critically regarded and hints to create more useful multimode microwave reactors are given. Historical developments, current tendencies, and a short introduction to the theory of dielectric heating are pointed out.