Miracle-dz/UniFAR-FTUs huggingface dataset:
Spontaneous atomic ordering and magnetism in epitaxially stabilized double perovskites

We have studied the atomic ordering of B-site transition metals and magnetic properties in the pulsed laser deposited films of La_2CrFeO_6 (LCFO) and La_2VMnO_6 (LVMO), whose bulk materials are known to be single perovskites with random distribution of the B-site cations. Despite similar ionic characters of constituent transition metals in each compound, the maximum B-site order attained was surprisingly high, ∼90% for LCFO and ∼80% for LVMO, suggesting a significant role of epitaxial stabilization in the spontaneous ordering process. Magnetization and valence state characterizations revealed that the magnetic ground state of both compounds was coincidently ferrimagnetic with saturation magnetization of ∼2 μ_B per formula unit, unlike those predicted theoretically. In addition, they were found to be insulating with optical band gaps of 1.6 and 0.9 eV for LCFO and LVMO, respectively. Our results present a wide opportunity to explore novel magnetic properties of binary transition metal perovskites upon epitaxial stabilization of the ordered phase.
A novel two-step preparation of spinel LiMn_2O_4 nanowires and its electrochemical performance charaterization

LiMn_2O_4 nanowires have been synthesized by a two-step approach. γ-MnOOH nanowires are firstly synthesized by hydrothermal method and after further sintering with LiOH at 750 °C for about 3 h, the wire-like LiMn_2O_4 can be obtained. The structure of the final product is characterized by x-ray diffraction using Rietveld refinement. Its electrochemical performance is investigated by galvanostatic tests. The as-prepared LiMn_2O_4 nanowires display excellent cyclability. The LiMn_2O_4 nanowires with good cycle stability may be beneficial from the structural stability of LiMn_2O_4 crystal cell and one-dimensional nanostructure.
PHYSICAL AND BIOLOGICAL PERFORMANCE OF SELF-INOCULATED UASB REACTOR TREATING RAW DOMESTIC SEWAGE

The dynamics of a self-inoculated upflow anaerobic sludge blanket (UASB) reactor treating raw sewage has been studied. The results suggest two types of start-up periods. During the first 6 weeks of operation, the reactor achieved a removal efficiency of up to 65% of total chemical oxygen demand (COD) and 73% of suspended solids. During this primary start-up period, the removal of organic matter was mainly due to interception in the reactor. The second start-up period expressed by biogas release was reached after 14 weeks. An intermediary period between these two start-up periods was characterized by a slight drop of pH and increase of volatile fatty acid in the effluent. The long time to reach the second start-up period seemed to be responsible for the large discrepancy between removed COD and recovered biogas (107 mL/g COD removed). It is thus suggested that process optimization should focus on shortening the time needed to reach the second start-up period. A model that represents a possible description .
Stakeholder Management

Scholars and practitioners have acknowledged the practical relevance of stakeholder theory as it has been applied to management. This chapter provides a brief foundation for understanding the basic principles of stakeholder management and some of its best known tools, including the development of an enterprise strategy, identification and prioritization of stakeholders, and measurement of the value firms create with and for stakeholders. Then insights are shared about implementation of stakeholder management based on interviews with high-level executives from a variety of well-known companies. It was found that stakeholder principles have been applied in a variety of ways and under various labels. The chapter ends with a list of eight important questions to advance research on stakeholder management.
Control del crecimiento de microorganismos filamentosos en una planta de tratamiento de aguas residuales industriales

Se identificaron los principales microorganismos filamentosos en los efluentes de aguas residuales de tres empresas del giro de alimentos, ubicadas en la Zona Industrial Toluca–Lerma; dichas descargas son conducidas a una planta de tratamiento de aguas residuales industriales, cuyo proceso de lodos activados ha sido afectado por la presencia de microorganismos filamentosos, identificados a la entrada de la planta y en la etapa de recirculacion. Los microorganismos filamentosos que predominaron en los efluentes de las empresas fueron: Tipo 1863, Tipo 021N, Tipo 0211, Nostocoida limicola II, Thiothrix I y II y Tipo 0411; mientras que en la entrada a la planta de tratamiento, ademas de prevalecer los anteriores, aparecen: Tipo 0092, Tipo 0701, Tipo 0041 y Gallionella . Durante la recirculacion de los lodos, no solamente se identificaron a los microorganismos mencionados en la entrada, sino tambien a Microthrix parvicella (como el principal y de manera abundante), Tipo 1701 y Tipo 0914. Estos ultimos resultan interesantes de estudiar, ya que solamente aparecen en la recirculacion; lo anterior da pautas para mejorar el tratamiento de dicha planta. Se concluye que el microorganismo filamentoso que afecta el proceso de lodos activados es M. parvicella , cuyo crecimiento es generado en la etapa de recirculacion del proceso, debido a variaciones estacionales y a condiciones de operacion de la planta de tratamiento.
Advances in understanding the structure of borosilicate glasses: A Raman spectroscopy study

Abstract This study is focused on the behavior of ternary SiO2-Na2O-B2O3 borosilicate glasses at temperatures between 298 and 1800 K. Unpolarized Raman spectra were measured up to high temperature. SiO2-Na2O-B2O3 glass samples were prepared with different values of the ratio R = [Na2O]/[B2O3], while the ratio K = [SiO2]/[B2O3] was kept constant and equal to 2.12. Spectra were measured at room temperature in samples with 0.43 ≤ R ≤ 1.68, and the effect of the modifier content was clearly observed in these glasses, only in partial agreement with previous literature results. In particular, the formation in the glass of sodium-danburite units Na2O·B2O3·2SiO2 was postulated. This feature led to a new assessment of R*, the critical value of R above which every new alkali atom added to the system breaks a Fo-O-Fo (Fo = glass former) bridge causing depolymerization of the glass. A revised formula is proposed to obtain the value of R* as a function of K. Raman spectra measured at high temperature yielded important information about the temperaturedependent evolution of the borosilicate system. In particular, borate and borosilicate units including tetra-coordinated boron seem to be unstable at high temperature, where the formation of metaborate chains or rings is fostered. Above 1500 °C, evaporation of borate compounds is clearly observed, stemming from the small sample size.
Conducting Barriers for Direct Contact of PZT Thin Films on Reactive Substrates

Several bottom electrode systems for ferroelectric thin film deposition onto reactive substrates or reactive metal films have been investigated with respect to chemical barrier properties and contact resistivity. Such electrode systems should not deteriorate by oxidation, and should prevent oxygen diffusion into the underlying base metal. First, the protective performance of Pt, Ru, RuO2/Ru, and Cr has been evaluated on reactive substances such as W, Zr, Mo, and TiN; On most materials, a reactive and passivating metal such as Cr offers protection up to a higher temperature than noble metals. This is explained by preferential oxidation. On Cr, a RuO2 electrode allowed oxidation resistance to more than 800 degrees C without any Cr diffusion: the RuO2 serves both as an electrode and as a barrier to Cr. In order to reduce the contact resistance due to the formation of a Cr2O3 film at the RuO2/Cr interface, a Ru interlayer was inserted, giving an RuO2/Ru/Cr. This combination allowed maintaining a low contact resistance up to 700 degrees C. (C) 1999 The Electrochemical Society. S0013-4651(98)12-012-8. All rights reserved.
High‐Temperature Contact Formation on n‐Type Silicon: Basic Reactions and Contact Model for Seed‐Layer Contacts

Contact formation on n‐type silicon, especially using a high‐temperature process, has been the subject of research for more than 40 years. After its application in microelectronics, n‐type silicon is widely used in silicon solar cells as the emitter layer. The formation of a low ohmic contact grid using an industrially feasible process step is one of the key features required to improve the solar‐cell efficiency. The contact materials, typically deposited in a printing step, have to fulfil several functions: opening the dielectric antireflection layer and forming an intimate metal‐semiconductor contact with good mechanical adhesion and low specific contact resistance. As the used contact inks typically contain several functional materials, such as silver and a glass frit, the detailed contact formation is still not entirely understood. Therefore, the chemical reactions during the contact firing process have been studied in detail by thermogravimetric differential thermal analysis in combination with mass spectroscopy. Based on these studies, a contact ink has been developed, optimized and tested on silicon solar cells. In this paper, the mechanism of the etching process, the opening of a dielectric layer, the influence of different atmospheres and the impact of the glass‐frit content are investigated. The observed microscopic contact structure, the resulting electrical solar‐cell parameters and the studied reactions are combined to clarify the physics behind the high‐temperature contact formation.
5 Year Analysis of Company ESG Ratings Verses Financial Performance

Environmental Social Governance adds a new dimension to investing by targeting companies that pursue ethical policies and practices outside of normal business operations. However, there is a lack of information regarding the viability of such investing tactics. To dissolve the ambiguity associated with the lack of information, this thesis aims to compile the ESG ratings currently associated with companies and to measure their stock market performance relative to the overall market as well as individual sectors. The primary method for researching this topic involves finding the holding period returns of every company with an ESG rating in the past 5-years. With the data a linear model will indicate the overall impact of ESG ratings on holding period returns. This information will then allow a conclusion to be made about the viability of ESG ratings as an indicator of company stock performance. Mixed results are anticipated and accounted for by measuring specific industries that may be more capable than others of implementing strong ESG policies while performing better financially.
Phosphate Ion Removal from Aqueous Solution Using an Iron Oxide-Coated Fly Ash Adsorbent

The ability of an iron oxide/fly ash composite adsorbent prepared with municipal solid waste fly ash and iron nitrate to remove phosphate ions from aqueous solutions has been tested. The characteristics and physicochemical performances of the composite were investigated via nitrogen adsorption and scanning electron microscopy (SEM) studies. The comparative adsorption of phosphate ions by the composite adsorbent and fly ash was investigated using batch experiments. It was found that the adsorption properties of the composite adsorbent towards phosphate ions depended on the pH value of the solution and the anion concentration in the same. The equilibrium data were analyzed using the Langmuir and Freundlich isotherms, from which it was shown that the adsorption capacities for phosphate ions at pH 3.0 were 27.39 mg/g for iron oxide/fly ash and 18.90 mg/g for fly ash. The results showed the adsorption patterns for phosphate ions with fly ash and iron oxide/fly ash composite adsorbent showed a better match to the Freundlich model rather than the Langmuir model. The adsorption kinetic data could be well described by the Lagergren pseudo-second-order kinetic equation. The effect of temperature on the adsorption phenomena was investigated, the results indicating that phosphate ion removal by iron oxide/fly ash composite adsorbent was endothermic in nature.
Optical spectra of triglycine sulfate crystals in the range of 7–33 eV and its changes at phase transition

Pseudo-dielectric functions ⟨ε1(E)⟩ and ⟨ε2(E)⟩ of triglycine sulfate (TGS) crystal have been obtained in the range of 7–33 eV for different temperatures close to ferroelectric phase transition by spectral ellipsometry using the synchrotron radiation source BESSY II. These dielectric functions ε1(E) and ε2(E) have also been calculated from first principles using CASTEP CAmbridge Serial Total Energy Package code together with the band structure and density of electronic states of the crystal. Experimental and theoretical dielectric functions agree satisfactorily. A characteristic decrease of temperature dependences of the dielectric losses tgδ(T) and related values just below the phase transition temperature T c have been found and discussed.
Enzymatic reactive extrusion: moving towards continuous enzyme-catalysed polyester polymerisation and processing

This paper demonstrated the feasibility of conducting an enzymatic ring-opening polymerisation by reactive extrusion (REX) at high shear and temperature conditions. Using immobilized Candida antarctica Lipase B (CALB) as catalyst at temperatures ranging from 90 to 130 °C, ω-pentadecalactone (PDL) was converted (>99%) by REX at 60 RPM for 15 min to PPDL with ≥Mw 163 000 g mol−1.
Microwave Assisted Two-Step Process for Rapid Synthesis of Na−A Zeolite from Coal Fly Ash

Using the amorphous aluminosilicate of coal fly ash (FA), Na−A zeolite was synthesized. The FA particles mechanically treated with ball mill were added into a tube made of cellulose filter paper, and they were pretreated with a NaOH solution by refluxing under microwave (MW) irradiation for 60 min. The amorphous aluminosilicate of FA was dissolved during the pretreatment. After pretreatment, the tube was removed and NaAlO2 solution was added to the residual solution to control the SiO2/Al2O3 molar ratio of the solution ranging from 0.5 to 4.0. The precipitates thus formed were aged by refluxing under MW irradiation for 60 min. After aging, white precipitates were yielded over the whole SiO2/Al2O3 range. At SiO2/Al2O3 = 0.5−1.0, the materials were identified as Na−A zeolite with a little amount of hydroxysodalite. The amorphous aluminosilicate emerged slightly at SiO2/Al2O3 = 2.0. The diffraction peaks of Na−A zeolite and hydroxysodalite disappeared at SiO2/Al2O3 = 4.0. The cation exchange capacity of Na−A.
Finite difference Poisson‐Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing

A common problem in the calculation of electrostatic potentials with the Poisson‐Boltzmann equation using finite difference methods is the effect of molecular position relative to the grid. Previously a uniform charging method was shown to reduce the grid dependence substantially over the point charge model used in commercially available codes. In this article we demonstrate that smoothing the charge and dielectric values on the grid can improve the grid independence, as measured by the spread of calculated values, by another order of magnitude. Calculations of Born ion solvation energies, small molecule solvation energies, the electrostatic field of superoxide dismutase, and protein‐protein binding energies are used to demonstrate that this method yields the same results as the point charge model while reducing the positional errors by several orders of magnitude. © 1997 by John Wiley & Sons, Inc.
Linking a global terrestrial biogeochemical model and a 2‐dimensional climate model: implications for the global carbon budget

We used the terrestrial ecosystem model (TEM, version 4.0) to estimate global responses of annual net primary production (NPP) and total carbon storage to changes in climate and atmospheric CO 2 , driven by the climate outputs from the 2-dimensional MIT L-O climate model and the 3-dimensional GISS and GFDL-q atmospheric general circulation models (GCMs). For contemporary climate with 315 ppmv CO 2 , TEM estimates that global NPP is 47.9 PgC/ yr and global total carbon storage is 1658 PgC: 908 PgC of vegetation carbon and 750 PgC of reactive soil organic carbon. For climate change associated with a doubling of radiative forcing and an atmospheric level of 522 ppmv CO 2 , the responses of global NPP are + 17.8% for the MIT L-O climate, + 18.5% for the GFDL-q climate and + 20.6% for the GISS climate. The responses of global total carbon storage are + 6.9% for the MIT L-O climate, + 8.3% for GFDL-q climate and + 8.7% for the GISS climate. Among the three climate change predictions, the changes in latitudinal distributions of cumulative NPP and total carbon storage along 0.5° latitudinal bands vary slightly, except in high latitudes. There are generally minor differences in cumulative NPP and total carbon storage for most of the 18 biomes, except for the responses of total carbon storage in boreal biomes for the 2-D MIT L-O climate change. The results demonstrate that the linkage between the TEM and the 2-D climate model is useful for impact assessment and uncertainty analysis within an integrated assessment framework at the scales of the globe, economic regions and biomes, given the compromise between computational efficiency in the 2-D climate model and more detailed spatial representation of climate fields in 3-D GCMs. DOI: 10.1034/j.1600-0889.49. issue1.2. x
Landfill Capping with Woodland Ecosystems

As the field of phytoremediation has evolved over the last 10 years, there has been a growing interest in the use of vegetative covers as alternative landfill caps. Consequently, a number of vegetative caps (grass, shrubs, and trees) have been installed at landfills across the United States, with tree caps being the focus of this paper. The two primary objectives of vegetative caps are to minimize water percolation into landfill waste via a “sponge and pump” mechanism and to prevent surface soil erosion. The soil pores hold precipitation like a sponge until plant roots can access the water; plants take up this water for growth and release it into the atmosphere by transpiration. The erosion control objective is achieved by canopy interception of rainfall, minimizing the “splash effect,” and the growing of a root matrix that interlaces through soil particles. Secondary benefits of vegetative caps include aesthetic appeal for the neighboring community, sequestration of greenhouse gases, reduced construction.
Controlled Surface Enhanced Resonance Raman Scattering (SERRS) in Biological Environment

We report here the use of gold nanoparticle (AuNP) and gold nanostar (AuNS) assemblies modified with oligonucleotides for the detection of target DNA molecules through SERRS. SERS activities of assmblies consisted of 16 nm AuNPs, 30 nm AuNSs and 100 nm AuNSs were compared. Interaction of localized surface plasmon resonance (LSPR) of AuNP and AuNS assemblies were controlled through adjusting the distance between AuNPs/AuNSs which were realized by varying the length of oligonucleotide with various base sequence. Raman spectroscopies were measured with excitation wavelength of 633 nm. It was found that stronger Raman signal was recorded when AuNSs were used while weaker signals were obtained with AuNPs. This may attribute to AuNSs has tip-enhancement effect while AuNPs has no tips on surface, and AuNSs DNA probes can easily detect 10 nM target DNA. We also found that the Raman signal being stronger when the distance between nanoparticles is ∼3 nm than that of ∼6 nm and ∼12 nm. We envisage this study will achieve further insight into the mechanism of SERRS and provide a general approach for the ultrasensitive detection of biomolecules based on SERRS.
2000 Maxxam Award Lecture Unified theory of extraction

The sample preparation step in an analytical process typically consists of extraction of components of interest from a sample matrix. This procedure can vary in degree of selectivity, speed, and convenience depending on the approach and conditions used as well as on geometric configurations of the extraction phase and conditions. Optimization of this process aids enhancement in performance of the overall analysis. Proper design of the extraction devices and procedures facilitates rapid and convenient on-site implementation, coupling to separationquantification, and (or) automation. The key to rational choice, optimization, and design is an understanding of fundamental principles governing mass transfer of analytes in multiphase systems. There is a tendency to divide extraction techniques according to random criteria. In this article, common principles among different extraction techniques are emphasized and a unified approach based on convolution of mathematical functions describing individual steps is p.
Antidiabetic and genotoxic effects on Wistar rats treated with aqueous extract from Chrysobalanus icaco L.

Chrysobalanus icaco L. is a medicinal plant, used to treat diabetes and dyslipidemia in Brazil. The biological effects may vary depending on the source of plant. Experiments were performed to assess these effects from plants collected in the field and those obtained from dried herbs market. Glycemia, cholesterol and triglycerides serum concentrations were measured in healthy and diabetic rats treated with aqueous extract of leaves. Diabetic rats treated with the extract showed lower serum triglycerides, but there was no significant difference (P>0.05) in glycemia and cholesterol levels, compared to the control group without diabetes. Also, the genotoxic effects of these extracts were evaluated using the comet assay in total blood cells obtained from healthy rats ingested with extracts instead of drinking water. This assay showed that the extracts from either free market or endemic area were genotoxic. However, the extract obtained from the popular market was more genotoxic than that prepared from field plants. This study demonstrates that though the extract has therapeutic property that lowers the rate of triglycerides, it is not free of deleterious effects; this calls for precaution in its use as a phytotherapeutical agent. Key words: Chrysobalanus icaco, cholesterol, comet assay, genotoxic potentiality, triglycerides, diabetes.
Composition of the essential oils of four medicinal plants from Ecuador

ABSTRACT: The composition of the essential oils from leaves of Lepechinia mutica , Satureja glabrata , Mintho-stachys mollis and Myrcianthes rhopaloides , four species used in traditional medicine in Loja (Ecuador), was inves-tigated by GC–FID and GC–MS. Monoterpene hydrocarbons were the main group of constituents in the essentialoil of L. mutica , especially β-phellandrene (30%), whereas oxygenated monoterpenes predominated in the oils of M. mollis and M. rhopaloides , menthone (16%) and geranial (34%), respectively, being the major components.Although the oxygenated monoterpenes dominated the essential oil from S. glabrata (44%), the main constituent ofthis oil was isocaryophyllene (15%), followed by citronellol (14%) and citronellyl acetate (12%). Copyright © 2003John Wiley & Sons, Ltd.KEY WORDS: Lepechinia mutica ; Satureja glabrata ; Minthostachys mollis ; Myrcianthes rhopaloides ; Lamiaceae;Myrtaceae; geranial; β-phellandrene * Correspondence to: R. Vila, Unitat de Farmacologia i Farmacognosia,Facultat de Farmacia, Avda. Diagonal 643, E-08028-Barcelona, Spain.E-mail: vila@farmacia.far. ub.esContract/grant sponsor: CYTED.