Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis of Novel Aryloxy Propanoyl Thiadiazoles as Potential Antihypertensive Agents

2-Amino-5-aryl/alkyl-1,3,4-thiadiazoles 3a-e were synthesized from aliphatic and aromatic acids and thiosemicarbazide. These 2-amino-5-aryl/alkyl-1,3,4-thiadiazoles 3a-e were condensed with 2-(naphthalenyloxymethyl) oxirane 4a-b to prepare some naphthalenyloxy-propanol amine derivatives 5a-j. These compounds were synthesized as potential antihypertensive agents.
APROXIMACIONES EN INGENIERÍA WEB PARA EL ANÁLISIS DE REQUISITOS: UNA REVISIÓN SISTEMÁTICA DE LA LITERATURA

The technology applied to the development of software in Web engineering (WE) faces continuous changes, which implies an extra effort on the part of analysts, developers and designers in the design and maintenance of Web applications. In this context, defining the requirements (functional and non-functional) that the system must meet to meet the needs of users is a complex task. This article presents a systematic review of the literature in order to obtain: (i) the current state of the art on systematic approaches for the modeling, analysis and specification of requirements in Web engineering and (ii) a conceptual basis for proposing areas research.
Numerical Investigation of Noise Enhanced Stability Phenomenon in a Time-Delayed Metastable System

受到添加剂白人噪音的一个推迟时间的亚稳的系统的短暂性质借助于随机的模拟方法被调查。 噪音提高了稳定性现象( NES )能在 NES 表演在这个系统和延期时间的效果被观察批评行为，即，有对 1 近似的延期时间 T-c 的批评价值，在哪个上面当延期时间增加，时间延期提高 NES 效果，延期时间增加并且在时间延期在哪个下面削弱 NES 效果下面。
A Sonication Extraction Method to Determine PAHs in Activated Sludge (Supernatant and Solid) for the Monitoring of Aerobic Biodegradation

A simple analytical method was developed and optimised for the determination of polycyclic aromatic hydrocarbons in activated sludge consisting of supernatant and solid, which collected from the aerobic reactor (aerated zone) of the biological treatment step in a wastewater treatment plant. The procedure accomplishes in feasible time of extraction and reasonable solvent volume without the need of any special technique to perform the extraction step. The method involves extraction of entire sample by sonication and mechanical shaking using n-hexane, preconcentration by solvent evaporation, and determination by high-performance liquid chromatography with diode array and fluorescence detectors. The developed method was optimised to give precise results in both low and high spiked samples: relative standard deviation lower than 10%, limits of detection lied between 0.2 and 5 μg kg -1 , and recoveries were between 66% and 109%. This method allows the monitoring of the bioremediation efficiency of PAHs by the activated sludge, since it permits the extraction of both PAHs; those that adsorbed to the solid phase, and the other that presented in supernatant phase. The activated sludge could be valuable in the bioremediation of lighter PAH compounds mainly those which consist of two and three fused aromatic rings.
Soil nitrogen dynamics following herbicide kill and tillage of manured and unmanured grasslands

Chantigny, M. H. , MacDonald, J. D. , Angers, D. A. , Rochette, P., Royer, I. and Gasser, M. -O. 2013. Soil nitrogen dynamics following herbicide kill and tillage of manured and unmanured grasslands. Can. J. Soil Sci. 93: 229-237. Grassland soils accumulate N, which could be lost following land-use change. Adjacent grassland sites, with and without liquid swine manure applied annually for 28 yr, were subdivided and left undisturbed (Control), or killed by herbicides with and without full inversion tillage (FIT) in the autumn or spring. We monitored hot-water extractable organic N (HWEON), and mineral N forms in KCl extractions and soil solutions (tension lysimeters) for 1 yr. Mean soil mineral N increased by 1 to 2.8 g m-2 in the weeks following herbicide kill and FIT of the unmanured soils, and by 2.6 to 3.0 g m-2 in the manured soil. These increases corresponded to declines in soil HWEON (-0.4 to -1.9 g m-2 unmanured site; -2.4 to -4.9 g m-2 manured site), suggesting that HWEON comprised N that is rapidly mineralized following grassland termination. More than 80% of N mineralized in the weeks following termination accumulated as NH4 in the unmanured soils, compared with >70% as NO3 in the manured soils. As a result, more mineral N (mainly NO3) was found in the soil solution of manured soils. Manured grassland soils may represent a high risk of N loss following termination with herbicide in combination with FIT in the autumn, because of the rapid nitrification of mineralized N. For spring FIT, however, the rapid mineralization of soil N may represent a substantial nutrient source to the following crop.
Enhanced Electrical Properties of Bi0.9Gd0.1Fe0.975B0.025O3±δ, (B = Ni, Mn, Cu, Ti, and V) Thin Films

Pure BiFeO3 (BFO) and Gd-transition metal co-doped (Bi0.9Gd0.1)(Fe0.975B0.025)O3±δ (B = Ni, Mn, Cu, Ti, and V, denoted by BGdFNi, BGdFMn, BGdFCu, BGdFTi, and BGdFV) films were deposited by using a chemical solution deposition. Enhanced electrical properties were observed for the co-doped films. The BGdFMn film showed the largest 2Pr value (105.3 μC/cm2 at 1470 kV/cm) and the smallest leakage current density (1.49 × 10−5 A/cm2 at 100 kV/cm). The enhanced electrical properties for the co-doped films are related to the decrease of oxygen vacancies, the stabilization of perovskite structure, and the lattice distortion by the doping elements.
The preparation of polyamides containing heterocyclic groups from furfural and levulinic acid

New fiber-forming polyamides containing heterocyclic groups were prepared form furan 2,5-dipropionic acid and the corresponding tetrahydrofuran compound which were found to be prepared easily from furfural and levulinic acid. For example, poly-decamethylenetetrahydrofuran 2,5-dipropionamide (intrinsic viscosity 0.74) gave a fiber having, when cold drawn to 350%, tensile strength 3.1 g. /denier and elongation 25%. Neue, faserbildende Polyamide, die heterocyclische Gruppen enthalten, wurden aus Furan-2,5- dipropionsaure und der entsprechenden Tetrahydrofuranverbindung, welche leicht aus Furfural und Lavulinsaure zuganglich sind, hergestellt. Z. B. wurden aus Poly-decamethylen-tetrahydrofuran-2,5-dipropionamid (Grenzviskositatszahl 0,74) Fasern erhalten, die nach Kaltverstreckung bis zu 350% eine Reisfestigkeit von 3,1 g/den, und eine Dehnung von 25% hatten.
Electrodeposition of CuInTe2 films

CuInTe2 films have been deposited on a titanium substrate from acidic as well as from alkaline baths. The as-deposited films were uniform and adhered well to the substrate. Structural and compositional studies showed that the as-deposited films were amorphous or consisted of fine grains and were stoichiometric in composition.
Development and Validation of a New Simple Liquid Chromatographic Method for Determination of Coumarin and its 7-Hydroxy Metabolite as a Marker of Cytochrome P450 2A6 in Rats -

In this study, a simple and reliable high performance liquid chromatographic method with UV detection was developed and validated for rapid determination of coumarin hydroxylase activity in rat hepatic microsomes. The chromatographic separation was achieved using Zorbax Eclipse XDB C18 column (150×4.6 mm, 5 μm), which was kept at 40°C. The isocratic mobile phase consisted of methanol and 1% glacial acetic acid mixture (35:65, v/v) with a flow rate of 0.6 ml/min. The effluent was monitored at 320 nm using photodiode array detector (PDA). 6-hydroxychlorzoxazone (6-OH CZX) was used as internal standard. The method exhibited good linearity (R2 >0.999) for both coumarin (COUM) and its 7-hydroxy metabolite (7-OH COUM) over the assayed concentration range (0.025-5.0 μM) and demonstrated good intra-day and inter-day precision and accuracy (relative standard deviations and the deviation from predicted values were less than 15%). The detection limits were 0.001 and 0.005 μM for coumarin and 7-hydroxycoumarin, respectively. This method was also successfully applied for studying the effect of three phytochemicals on hepatic CYP2A6 activity in rats.
Etude des mécanismes de gonflement et de dissolution des fibres de cellulose native

La cellulose, polymere naturel appartenant a la famille des polysaccharides, est non fusible. Pour la mettre en forme, il est donc necessaire soit de la deriver, soit de la solubiliser. L'objectif de notre travail est de preciser les mecanismes qui conduisent a la dissolution de la cellulose native. Cinq mecanismes sont observes lors de cette etude, basee sur des fibres de cellulose native d'origine diverse (coton, bois, ramie, jute, lin, chanvre, sisal et abaca). Chaque echantillon est observe dans une large gamme de systemes aqueux (NMMO - eau a differentes teneurs en eau ou hydroxyde de sodium - eau - additif) et des liquides ioniques. Des donnees recueillies sur des echantillons depourvus de leurs parois externes suite a un traitement enzymatique, ainsi que des derives cellulosiques, viennent completer cette etude. Nous avons identifie cinq mecanismes de gonflement et de dissolution de fibres de cellulose native : Mode 1: dissolution rapide par desintegration de la fibre en fragments Mode 2: gonflement par ballonnement, dissolution de toute la fibre Mode 3: gonflement par ballonnement, dissolution partielle de la fibre Mode 4: gonflement homogene, non dissolution de la fibre Mode 5: pas de gonflement ni de dissolution (cas d'un systeme non solvant) Malgre les differences morphologiques entre toutes les fibres de cellulose testees et les derives cellulosiques, les mecanismes de gonflement et de dissolution restent similaires. Trois zones le long des fibres de cellulose sont definis lors d'un mecanisme impliquant un gonflement par ballonnement: les ballons, la membrane des ballons, les sections non gonflees (zones situees entre les ballons). Chacune de ces zones presentent un mecanisme de dissolution particulier. Le mode 2 est donc detaille en 4 etapes. Les ballons sont des entites constituees d'une membrane (paroi primaire, plus une partie de la paroi secondaire), caracterisee par une structure helicoidale. La membrane est la partie de la fibre la plus difficile a dissoudre. Il est important de noter que la cellulose a l'interieur des ballons est dissoute. Les mecanismes de gonflement et de dissolution ne sont pas lies a la nature chimique des agents solvants. La qualite du solvant influe evidemment sur le mode de dissolution induit, mais le facteur cle des mecanismes est la structure morphologique de la fibre.
Design of a miniaturized multisensor chip with nanoband electrode array and light addressable potentiometric sensor for ion sensing

Herein, we present a novel miniaturized multisensor chip integrated with a nanoband electrode array (NEA) for lead and copper detection and a light addressable potentiometric sensor (LAPS) for pH sensing. By this means, pH information could be provided before electrochemical analysis to ensure high performance in heavy metal quantification due to the significant effects of solution acidity on electrochemical analyses. The fabrication processes of the multisensor chip are described in detail and the electrochemical behaviour of NEA was characterized using cyclic voltammetry in sulfuric acid and acetate buffer. For the detection of lead and copper qualitatively and quantitatively, square wave anodic stripping voltammetry (SWASV) was applied with the standard addition method. Deposition potential and deposition time were optimized to be −0.6 V and 120 s, respectively. NEA exhibited a sensitivity of 0.510 μA pbb−1 and 0.678 μA ppb−1 towards lead and copper, respectively, with high correlation coefficients. The repetitive and long-term experiments also demonstrated the good reproducibility and stability of NEA in heavy metal detection. Moreover, the silicon nitride modified LAPS showed a pH sensitivity of 56.49 mV pH−1 with a high correlation coefficient of 0.9999. The reproducibility of LAPS was also investigated and a deviation of less than 2 mV was obtained in both the samples. These results indicate that the miniaturized multisensor chip demonstrates good electrochemical performance in heavy metal and pH sensing.
Toxicology of Chemical Mixtures

The toxicity of chemical mixtures is determined by the effects of components as well as interactions, if any, among components occurring at the exposure, toxicokinetic or toxicodynamic phases. This chapter describes the concepts and methods essential for evaluating the toxicity of chemical mixtures. Approaches applicable to in vitro and in vivo conditions are discussed with particular emphasis on the assessment approaches that use whole mixtures, similar mixtures or mixture components. The approaches based on mixture components require a thorough understanding of the theory and models of additivity (dose, response). Accordingly, the notions of additivity for similarly acting and dissimilarly acting chemicals are considered and their use in the prediction of the toxicity of chemical mixtures discussed. An illustrative example of an in vitro evaluation of a ternary mixture of rotenone, deguelin and pyridaben is also presented. Keywords: chemical mixtures; dose additivity; response additivity; potentiation; antagonism; synergism; supra-additivity; infra-additivity; toxic equivalency factor; comparative potency method
Hepatoprotective activity of Piper longum traditional milk extract on carbon tetrachloride induced liver toxicity in Wistar rats

Piper longum Linn. (Piperaceae) (fruits and roots powder) is given with boiled milk in the Indian traditional system of medicine for the treatment of liver ailments and jaundice. However, the biochemical basis and mechanism of hepatoprotective action of Piper longum milk extract is not scientifically studied. Thus, the present study was designed to investigate the hepatoprotective activity of Piper longum milk extract. Carbon tetrachloride (CCl4) was used as a hepatotoxin at a dose of 0.5 ml/kg p.o. with olive oil (1:1) thrice a week for 21 days to produce the chronic reversible type of liver necrosis. Following treatment with Piper longum milk extract (200 mg/day p.o. for 21 days), a significant hepatoprotective effect was observed in CCl4 induced hepatic damage as evident from decreased level of serum enzymes, total bilirubin and direct bilirubin. The hepatoprotective effect of Piper longum is comparable to the standard drug silymarin (25 mg/kg/day p.o. for 21 days).
A comparison of airborne wear particle emission models based on metro station measurements

The main sources of non-exhaust particles around metro systems are the wear from wheel-rail contact, brake contact and the contact between mechanical parts in electric power systems. In order to predict the PM10 levels on underground metro platforms, the relation among time, train frequency and PM10 level should be investigated. Two types of particle emission models have previously been published to determine the PM10 level on underground train platform; these are the linear model and the conservation model. The aim of this study is to compare the results from the two models with a set of field measurements PM10. In 2016, a set of field measurements are performed on four underground metro platforms in Stockholm. The predicted PM10 values from the two models are compared with the measurement data. The accuracy of the two models is analysed and the behaviours of the two models in high and low train frequency regions are separately discussed. (Less)
Scaling of optical forces on Au–PEG core–shell nanoparticles

Optical trapping of hybrid core–shell gold–polymer particles is studied. Optical forces are measured for different gold core size and polymer shell thickness, revealing how a polymer shell increases the trapping efficiency with respect to the bare gold nanoparticles. Data are in agreement with calculations of optical trapping based on electromagnetic scattering theory in the T-matrix approach. The scaling behaviour of optical forces with respect to the ratio between polymer layer thickness and the whole particle radius is found and discussed.
Temporal trends in mercury, methylated mercury and their relation to dissolved organic carbon

Mercury (Hg) and methylated mercury (MeHg) are major environmental pollutants in boreal regions. Dissolved organic carbon (DOC) has been established by a number of studies to be a key vector in the mobilisation of terrestrial Hg and MeHg to aquatic environments where Hg and MeHg can then enter the food chain. This study examined long-term trends in DOC (1986-2012), Hg (1993-2000) and MeHg (1993-2000) stream water concentrations in three sites (C2- forest, C4- mire and C7 - mixed) in the Svartberget catchment in northern Sweden. A positive trend was found in DOC concentrations over the last decade while results for Hg and MeHg were inconclusive. The Riparian Flow-Concentration Integration Model (RIM) in three forms (RIMstatic, RIMdyn and RIMmed) was then used to simulate stream water concentrations using flow as an input and model residuals were examined to provide insight into solute dynamics in the three study sites through time. Model residuals were compared and the Nash-Sutcliffe model efficiency coefficient was used to assess the performance of each model at each site.
Energetics of silicate melts from thermal diffusion studies

Efforts are reported in the following areas: laboratory equipment (multianvils for high P/T work, pressure media, SERC/DL sychrotron), liquid-state thermal diffusion (silicate liquids, O isotopic fractionation, volatiles, tektites, polymetallic sulfide liquids, carbonate liquids, aqueous sulfate solutions), and liquid-state isothermal diffusion (self-diffusion, basalt-rhyolite interdiffusion, selective contamination, chemical diffusion).
Impact Properties of Self-Hardening Aluminium Alloy (Alzn10si8mg) at Elevated Temperatures

Self-hardening aluminium alloy AlZn10Si8Mg represents an innovative class of light aluminium alloys and they present high mechanical properties, which make them suitable for many applications in different industrial fields, especially in transport industry. The most important and relevant feature of the self-hardening alloys is related to their good performance, without the need of any heat treatment: they are subjected to a natural ageing phenomenon at room temperature after a storage period of about 7-10 days. The possibility to avoid the heat treatment represents an important benefit, contributing to considerably reduce both the production cost of some components and the amount of energy. Furthermore, without heat treatment the risk of component's deformation during the production is eliminated.The Charpy impact energy of experimental cast alloy was measured at -196°C, -20°C, 20°C, 50°C, 100°C, 150°C, 200°C, 250°C, 300°C, 350°C and 400°C in terms of the total absorbed energy. Effect of temperature to microstructural changes and fracture surface on the impact toughness was investigated. A combination different analytical techniques (light microscopy upon black-white etching, scanning electron microscopy (SEM) upon deep etching) were therefore been used for the identification of the various phases.
Empirical LCAO parameters for π molecular orbitals in planar organic molecules

A novel parametrization within a simplified LCAO model (a type of Hückel model) is presented for the description of π molecular orbitals in organic molecules containing π-bonds between carbon, nitrogen, or oxygen atoms with sp2 hybridization. It is shown that the model is quite accurate in predicting the energy of the highest occupied π orbital and the first π–π* transition energy for a large set of organic compounds. Four empirical parameter values are provided for the diagonal matrix elements of the LCAO description, corresponding to atoms of carbon, nitrogen with one pz electron, nitrogen with two pz electrons, and oxygen. The bond-length dependent formula of Harrison (proportional to 1/d 2) is used for the non-diagonal matrix elements between neighbouring atoms. The predictions of our calculations have been tested against available experimental results in more than sixty organic molecules, including benzene and its derivatives, polyacenes, aromatic hydrocarbons of various geometries, polyenes, ketones, aldehydes, azabenzenes, nucleic acid bases and others. The comparison is rather successful, taking into account the small number of parameters and the simplicity of the LCAO method, involving only pz atomic-like orbitals, which leads even to analytical calculations in some cases.
A Study on the Width of Liquid Layer of Ni/B/Ni Diffusion Bonding System

In order to study the bonding mechanism of Ni/B/Ni transient liquid phase bonding system, width of liquid layers were calculated, where in this system melting point of insert material(B) is higher than bonding temperature and melting point of base metal(Ni). Caclulated values were compared with experimental ones which were measured by bonding Ni/B/Ni system at 1433-1474K under vacuum atmosphere. As results, the width of initial liquid layer of Ni/B/Ni system was calculated as = [1 + {2.100. rho. ( + ). rho. }-. rho.rho. Ni/], and it was nearly same with experimental values. Maximum width of liquid layer, width of liquid layer during isothermal solidification and isothermal solidification time were calculated also.o.o. o.
Electron paramagnetic resonance studies of Mn2+ ions in β-Ga2O3 single crystal

A Mn2+ ion-doped β-Ga2O3 single crystal was grown by using a floating zone method. By employing an X-band electron paramagnetic resonance (EPR) spectrometer, Mn2+ EPR spectra were recorded at room temperature. The rotation patterns in the crystallographic planes together with spin-Hamiltonian parameters of Mn2+ show unequivocally that the actual local site symmetry of the Mn2+ ion is monoclinic. A Mn2+ ion lies on a site with a two-fold rotation symmetry, parallel to the monoclinic axis of the crystal. The spectroscopic splitting tensor g, zero-field splitting parameters Bkqs, and the hyperfine tensor A are determined with the effective spin Hamiltonian. It turns out that the Mn2+ ion lies at only one site, the substitutional site for the Ga3+ ion in the oxygen octahedron rather than in tetrahedron. Energy levels of the ground state for a Mn2+ ion embedded in the β-Ga2O3 crystal are calculated.
Dithienylbenzothiadiazole-Based Donor-Acceptor Organic Semiconductors and Effect of End Capping Groups on Organic Field Effect Transistor Performance

Donor-Acceptor-Donor (D-A-D) based conjugated molecules 4,7-bis(5-(4-butoxyphenyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole (BOP-TBT) and 4,7-bis(5-(4-trifluoromethyl)phenyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole (TFP-TBT) using thiophene-benzothiadiazole-thiophene central core with trifluoromethyl phenyl and butoxyphenyl end capping groups were designed and synthesised via Suzuki coupling. Optical, electrochemical, thermal, and organic field effect transistor (OFET) device properties of BOP-TBT and TFP-TBT were investigated. Both small molecules possess two absorption bands. Optical band gaps were calculated from the absorption cut off to be in the range of 2.06–2.25 eV. Cyclic voltammetry indicated reversible oxidation and reduction processes and the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels were calculated to be in the range of 5.15–5.40 eV and 3.25–3.62 eV, respectively. Upon testing both materials for OFET, trifluoromethylphenyl end capped material (TFP-TBT) shows n-channel behaviour whereas butoxyphenyl end capped material (BOP-TBT) shows p-channel behaviour. Density functional theory calculations correlated with shifting of HOMO-LUMO energy levels with respect to end capping groups. Vacuum processed OFET of these materials have shown highest hole carrier mobility of 0.02 cm2/Vs and electron carrier mobility of 0.004 cm2/Vs, respectively using Si/SiO2 substrate. By keeping the central D-A-D segment and just by tuning end capping groups gives both p- and n-channel organic semiconductors which can be prepared in a single step using straightforward synthesis.