Miracle-dz/UniFAR-FTUs huggingface dataset:
Numerical Modeling of Type I Circular Sedimentation Tank

A numerical model for Type I circular sedimentation tanks (center feed) has been developed to provide useful information for circular tank operation. The unsteady flow process in circular sedimentation tanks is divided by numerous time intervals in which flow and sediment transport are considered to be steady. The other feature for this model is that particle size distribution of raw water is nonuniform. A numerical experiment based on the proposed model is carried out, and the results were compared with results from other models. The comparison shows that this model can provide more information, such as variations of water elevation, overall removal efficiency, bottom sludge thickness, and particle size distribution at outlet. In addition, this model had the advantage of optimizing the tank dimensions based on the sludge raking frequency and preferred removal efficiency. After simplification of the model, this model is practical in determining the overall removal efficiency and dimension of the tank base.
Ginsenosides Rb2 Protects High Glucose-Induced Apoptosis in ARPE cells

Ginseng panaxadiol (PD) derivatives have been reported to retain anti-diabetic effect. Diabetic retinopathy is one of major complications of diabetes mellitus, which is induced by cell apoptosis of retina. Thus, this study was conducted to examine the protective effect of ginsenoside Rb2, a major component of PD derivatives, in the high glucose-induced cell loss of ARPE cells (a human retina pigment epithelial cell-line). In present study, high glucose induced the decrease of cell viability, which was blocked by the treatment of ginsenoside Rb2 (＞10 -6 g/㎖). In addition, high glucose increased the expression of Bax and decreased the expression of Bcl-2 expression, which was prevented by the treatment of ginsenoside Rb2. Furthermore, high glucose increased lipid peroxide formation and cyclooxygenase-2 (COX-2) expression, which was also blocked by the treatment of ginsenoside Rb2. In conclusion, ginsenoside Rb2 prevented high glucose-induced apoptosis via the decrease of lipid peroxide (LPO) and COX-2 expression in ARPE cells.
Crystal structures and magnetic properties of rare-earth ultraphosphates, RP5O14 (R = La, Nd, Sm, Eu, Gd)

Abstract The single-crystal X-ray structures of lanthanum, europium, and gadolinium ultraphosphate, RP5O14 (R=rare-earth) are reported herein [monoclinic, P21/c, a=8.8206(1), 8.7491(1), 8.7493(1) A, b=9.1196(2), 8.9327(1), 8.9189(1) A, c= 13.1714(2), 12.9768(2), 12.9717(1) A, β=90.661(1), 90.534(1), 90.6682(3)°, respectively; Z=4; R1=0.0250, 0.0346, 0.0270, respectively]. The structures are all type (I) compounds as classified by Bagieu-Beucher and Tranqui [Bull. Soc. Fr. Miner. Cryst. 93, 505 (1970)]. The minimum R…R separations are compared with all other structural reports of lanthanide ultraphosphates. Type (I) compounds have the lowest minimum R…R separation, which decreases with atomic number and appears not to perturb the optical properties of any rare-earth ultraphosphate. In each case, R is surrounded exclusively by eight oxygen atoms that form a distorted square antiprism. A P–O network holds together the three-dimensional structure. The magnetic susceptibilities of neodymium, samarium, and gadolinium ultraphosphate as a function of temperature are also reported along with corresponding magnetization measurements. All compounds exhibit a paramagnetic response, following Curie's law except in the regions where crystal field splittings are significant.
The effects of harvest maturity, ripeness and storage on kiwifruit aroma

Quantitative gas chromatographic analysis of the volatile aroma components has been used as an objective measure of the effects of maturity at harvest, ripeness and storage on the aroma volatiles of kiwifruit. Increasing ripeness is associated with a rapid increase in the levels of aroma volatiles, especially esters, while increasing storage time prior to ripening is accompanied by a decrease in the amount of aroma volatiles.
The structure and spin-states of some Fe(III) mimics of nitrile hydratase, studied by DFT and ONIOM(DFT:PM3) calculations

Density functional methods have been successful in studying the electronic structure of molecular systems containing transition metal atoms, such as metalloenzymes. However, the treatment of large systems is still very computationally demanding, and is definitely not practical for many systems of interest, due to their size. In this paper we assess the use of these methods both alone, and when combined with the semi-empirical PM3 method within an ONIOM scheme, for determining the structure and spin-dependent energetics of a series of Fe(III) model complexes that have been synthesized to mimic the active site of nitrile hydratase, a metalloenzyme that catalyses the conversion of a wide variety of nitriles to their corresponding amides. We have found that geometry optimizations employing B3LYP generally give a good description of the structure and spin-states of these complexes and that when combined with PM3 in the framework of ONIOM, the multilevel method also performs well for some of them, suggesting that the ONIOM(B3LYP:PM3) approach offers the possibility for improvement in future calibration studies. We also find that DFT and ONIOM(DFT:PM3) calculations at the experimental geometries using the BP86, PW91PW91 and B3LYP functionals can also describe the spin-state energetics of these model complexes, with DFT performing the best.
Physicochemical characterization and in-vitroevaluation of flubiprofen oral controlled release matrixtablets: Role of ether derivative polymer ethocel

The main aim of the study was to develop once-daily controlled release matrix tablet of the selected propionic acid derivative flubiprofen (100 mg) using ethyl cellulose ether derivative release controlling polymer. Preformulation factors, including solubility, powder flowability and compressibility, and loss on drying were studied. Hausner’s factor and angle of repose ranged from 1.10 to 1.25 and 25 to 29° respectively, indicating the best flowability and compressibility of the powder. Drug-polymer interaction was analyzed by particle size analysis, SEM and FTIR spectroscopy. Matrices were prepared by direct compression, with and without polymer. Effect of co-excipients like HPMC, starch and CMC, was studied on release behavior of the drug. The tablets were subjected to different physicochemical tests including hardness, friability, weight variation, % drug content, thickness and diameter with limits ranging from 6.4 ± 0.24 to 6.9 ± 0.44 kg/cm, 0.22 ± 0.06 to 0.77 ± 0.03 w/w, 200 ± 1.3 to 203 ± 1.0 g, 98.30 ± 0.16 to 99.70 ± 0.64%, 2.1 ± 0.032 to 2.3 ± 0.020 mm and 4.2 ± 0.001 to 4.4 ± 0.001 mm respectively. Invitro drug release study was conducted in phosphate buffer (pH 7.4) and different kinetic parameters were applied. Ethocel FP polymer alone showed the best anomalous release with exponent = n 0.793 with the linearity = 2 r 0.992, whereas the market brand released 90% of the drug after four hours with release exponent = n 0.210.
Impact of Thermal Treatment on Color and Pigment Pattern of Red Beet (Beta vulgaris L.) Preparations

ABSTRACT: The impact of heating at 85°C during 8 h on overall color and betalain pattern of red beet (Beta vulgaris L. ssp. vulgaris) juice was investigated. Although the hue angle of 358° in fresh juice was indicative of the typical red-purple appearance, heating for 8 h induced an unexpected shift to 62° resulting in a yellow-orange solution. To monitor the underlying structural alterations of betalains, a new high-performance liquid chromatography separation compatible with mass spectrometry was developed. Applying this method, 2 novel yellow neobetanin structures and 2 orange-red betanin degradation products were preliminarily identified, and neobetanin formation resulting from heat exposure was proven for the 1st time. These 5 compounds were held responsible for the orange shift of red beet juice during thermal treatment. The relevance of these findings for industrial beet processing was demonstrated by comparison of pigment patterns of heated red beet juice samples and a commercial concentrate. On the basis of these results, a scheme for the thermal degradation of betanin is proposed.
Experimental study of sources hybridization electromechanical storage system integration into an electric vehicle structure

This paper deals with the design and the integration of an electromechanical storage system into an electric vehicle power train. The main goal is to prove the interest of sources hybridization for heavy duty vehicles with high discontinuous mission profile as garbage collection. This behavior is characterized by a high peak-to-continuous battery power ratio. To optimize vehicle performances, the battery must be sized for the continuous power consumption or recuperation. In this case, the battery can be considered as an energy source. Peak power during acceleration or braking is produced or received respectively by the electromechanical storage system which acts as a power source. This principle has been validated thanks to simulations in Matlab/Simulink environment. Then, to prove these results, we have implemented the power source on a dedicated test bench which allows to recreate the dynamic vehicle behavior on a given mission profile. Experimental results are shown and discussed.
Electrophoretic Deposition (EPD): Mechanisms, Kinetics, and Application to Ceramics

The mechanisms of electrophoretic deposition (EPD) are discussed and their shortcomings identified. The kinetics of the processes involved are analyzed for constant-current and constant-voltage conditions. A method of determining the Hamaker constant of suspended particles is developed by modeling the relationship between the particle inter-action energy and the suspension stability. A three-probe dc technique is used to map the voltage profile around the depositing electrode, and the results are used to explain discrepancies between the calculated and experimentally observed voltage drops during deposition. A mechanism of deposition is proposed based on DLVO theory and particle double-layer distortion/thinning on application of a dc field to the suspension. Kinetic equations are developed for constant-current and constant-voltage EPD using mass balance conditions; these are verified by experiments. After the phenomenon is introduced and discussed, a critique of the application of EPD to the synthesis of ceramic shapes and coatings is given.
Preparation of 18F‐labelled N‐fluoropyridinium triflate

N-Fluoropyridinium triflate was labelled with 18F proceeding through N-trimethylsilylpyridinium triflate and [18F]F2 diluted to 1% in Ne. A typical experiment afforded this new fluorine-18 transfer reagent with up to 46% radiochemical yield. The specific activity of 18F-labelled N-fluoropyridinium triflate was determined by iodometric titration to be in the range of 4·10−8 mg/Bq (1.5 mg/mCi; 1.67·10−4 Ci/μM).
Aerial parts of Solanum agrarium Sendtn. (Solanaceae) present the flavonoid myricetin 3,7,3 trimethyl ether and antispasmodic effect on guinea-pig ileum by blockade of voltage-gated calcium channels

Solanum agrarium Sendtn. is popularly known in Northeastern Brazil as "gogoia". Previous work has verified the presence of the flavonoid kaempferol and showed the crude ethanolic extract from aerial parts of S. agrarium (SA‑EtOH) to have non-selective antispasmodic effect on guinea‑pig ileum. The aim was to isolate and identify the special metabolites and to investigate antispasmodic mechanism of SA‑EtOH on guinea-pig ileum. From their aerial parts was isolated the flavonoid myricetin‑3,7,3’‑trimethyl ether. SA‑EtOH shifted to the right cumulative concentration-response curves to carbachol or histamine in a reversible and non-competitive manner. SA‑EtOH relaxed the ileum pre-contracted with 40 mM KCl (EC50=17.4±3.5 µg/ml), 10‑6 M carbachol (EC50=119.4±24.3 µg/ml) or 10‑6 M histamine (EC50=18.7±4.6 µg/ml). This is most likely due to the inhibition of calcium influx through voltage-gated calcium channels (CaV). It was confirmed by SA‑EtOH antagonizing CaCl2-induced contractions in depolarizing medium nominally without Ca2+, with non‑parallel shift of the concentration-response curves to the right and reduction of Emax. The uncovering of SA‑EtOH (EC50=187.2±27.3 µg/ml) inhibiting tonic contractions induced by S‑(‑)‑BayK8644 suggests that Ca2+ channel subtype involved is CaV-L. In conclusion, SA‑EtOH shows antispasmodic effect on guinea-pig ileum due, in part, to blockade of calcium influx through CaV channels. Key words: Solanum agrarium, flavonoid, antispasmodic effect, guinea-pig ileum, CaV-L.
Functionalized mesoporous silica nanoparticles for stimuli-responsive and targeted drug delivery

Construction of functional supramolecular nanoassemblies has attracted great deal of attention in recent years for their wide spectrum of practical applications. Mesoporous silica nanoparticles (MSN) in particular were shown to be effective scaffolds for the construction of drug carriers, sensors and catalysts. Herein, we describe the synthesis and characterization of stimuli-responsive, controlled release MSN-based assemblies for drug delivery. First we report on devising a functional UV light responsive delivery system for doxorubicin, a widely used anticancer drug. A positively charged drug molecule is adsorbed on the surface of the MSN through charge interaction and hydrogen bonding with surface silanols. The surface of MSN contained nitroveratryl carbamate protected aminopropyl moieties which undergo deprotection upon irradiation with UV light. The drug delivery principle is based on charge repulsion between UV light-generated, positively charged propylammonium ions and positively charged doxorubicin molecules. Release of the drug also increases by lowering the pH from 7.4 to 6.4. This result is beneficial for selective drug delivery to tumor tissues, as most tumor tissues have low extracellular pH value. We then set forth to develop magnetic analogues of mesoporous silica nanoparticles in order investigate possibilities for magnetic field induced targeted drug delivery. A series of new materials was obtained with radial and hexagonal packing of the mesopores, containing magnetic nanoparticles inside the core of the mesoporous silicate framework. We monitored the ability of the magnetic materials to adsorb and deliver anticancer drugs, 9-aminoacridine and camptothecin, and an interesting result was obtained. If 9-aminoacridine was adsorbed on the magnetic materials, its release from the surface in PBS buffer was promoted if the silica surface was not functionalized with organic moieties. If camptothecin was adsorbed on the same materials, the presence of phenylethyl functional groups inside the mesopores
OXIDATION OF TIN IN AN OXYGEN PLASMA ASHER

In previous work we have studied the thermal oxidation of titanium nitride. This involved temperatures of 350 °C and greater, and times of hours. In this work, we study the oxidation of titanium nitride in a downstream plasma asher, where the sample temperature is about 200 °C. For comparison to an older technology, we also include samples oxidized in a barrel asher where the sample temperature was about 100 °C. Oxidation times of 16 min and less were studied. Thickness and optical constants were measured using ellipsometry along with Auger electron spectroscopy with argon ion etching for depth profiles. The growth kinetics are shown to be logarithmic. In the down‐stream asher, films form in 90 s which would require 40 min at 450 °C if grown thermally. We show that only the thinner films can be etched off in 50:1 HF.
Structure Dependence of the Intermediate-Frequency Raman Modes in Isolated Single-Walled Carbon Nanotubes

Resonance Raman spectra in the intermediate- frequency mode (IFM) region have been studied for isolated single- walled carbon nanotubes (SWNTs) at the single-nanotube level. The SWNT samples with diameter in the range of 0.8−2.0 nm are first grown on quartz substrate and then transferred to silicon substrate by nanotransfer printing technique. A specific linear relation of ωRBM = 222.0/dt + 8.0 is found to best suit for our transferred isolated SWNTs. By measuring more than 80 isolated SWNTs with 36 different assigned chiralities using five different excitation lasers, the dependence of the nondispersive out-of-plane transverse optical (oTO) and the dispersive IFM − and IFM + features on the nanotube structure has been determined. It is found that the oTO, IFM − , and IFM + frequencies decrease slightly, decrease significantly, and increase slightly with decreasing nanotube diameter, respectively. The appearance of the oTO band is indifferent to SWNT chirality or type, while the IFM − feature can only be observed in metallic or MOD1 semiconducting nanotubes with small chiral angles. The IFM − feature in resonance Raman spectra thus offers a method to distinguish small θ nanotubes from large θ nanotubes and distinguish MOD1 semiconducting nanotubes from MOD2 semiconducting nanotubes.
Reversible adsorption-enhanced quantum confinement in semiconductor quantum dots

Semiconductor quantum dots possess two important properties: Size-dependent increase in band gap (size quantization) and a very high surface-to-volume ratio. We show that cyanide adsorption on this high surface further increases the size quantization in films of CdSe and CdS quantum dots and that removal of the cyanide reverses this effect. This effect is explained by increased localization due to compression of the electron wave function in the dots by the strongly adsorbed [on both Cd and Se(S)] negatively charged cyanide.
Synthesis, Structure and Physical Properties of a Two-Dimensional Organic Metal, Di[bis(ethylenedithiolo)tetrathiofulvalene] triiodide, (BEDT-TTF)+ 2 I− 3

Abstract Electrical oxidation of bis(ethylenedithiolo)tetrathiofulvalene (BEDT-TTF) 1 in a nitrogen saturated tetrahydrofurane solution containing (n-C4H10)4N+I3 as electrolyte results in the deposition of crystal plates of (BEDT-TTF)+ 2I3 (C10H8S8)2I3. These two dimensional crystals are triclinic, space group P1, a = 9.211(2), b=10.850(4), c = 17.488(5) A, α=96.95(2), β = 97.97(2), γ = 90.75(2)°, V = 1717 A3, Mr = 1150.01, Z=2, Dx =2.22 g cm−3. Rw = 0.037 for 2462 observed reflections. Sheets of alternating cations and anions occur in the compound. The most prominent intermolecular S-S contacts (∼3.5A) are found between the stacks of BEDT-TTF. The stacking of the molecules and the interstack contacts give the compound a two-dimensional character which influences the physical properties. The room temperature conductivities in the ab plane range typically between 60 and 250 (ω cm)−1. The conductivity anisotropy in this plane is small with a ratio of σa/σb⩽ 2, while in the direction perpendicular to the ab-.
EFFECT OF VIBRATION ON THE DRYING RATE DURING THE FALLING RATE PERIOD

ABSTRACT The results of an experimental study on the drying characteristics in vibrated fluidized beds of corn plumule, silica gel and citric acid are presented. Application of vibration was found to enhance the drying rate during the falling rate period. In the optimum range of vibration parameters, the critical moisture content decreased significantly as compared with that in conventional fluidized beds of the same material.
Original Contribution INFLUENCE OF FOLIAR APPLICATION OF IRON, CALCIUM AND ZINC SULFATE ON VEGETATIVE GROWTH AND REPRODUCTIVE CHARACTERISTICS OF STRAWBERRY CV. 'PAJARO'

In this study, effect of foliar application of iron, calcium and zinc sulfate reproductive growth, yield and some qualitative characteristics of strawberry fruit were investigated. The treatments included zinc sulfate at three levels (50, 100 and 150 mg l -1 ), iron at three levels (250, 500 and 1000mg l -1 ), calcium at two levels (5 and 10 mM) and distilled water as a control. As result has shown iron, calcium and zinc sulfate increased dry weight, leaf area, length of roots of strawberry. Sprays of zinc sulfate at 150 mg l -1 , iron at 1000 mg l -1 and calcium at 10 mM improved number of flowers, weight of primary and secondary fruit. The highest percentage of total soluble solids, titratable acidity and ascorbic acid was attained in fruits treated with zinc sulfate at 150 mg l -1 and the lowest was achieved in control. In general, spraying zinc sulfate at 150 mg l -1 , iron at 1000 mg l -1 and calcium at 10 mM concentration is recommended for increasing the strawberry yield.
Electronic Structure and Symmetry in Nickel L Edge X-ray Absorption Spectroscopy: Application to a Nickel Protein

We have studied the effects of electronic structure and symmetry on Ni L[sub 2.3] edge X-ray absorption spectra by measuring the L[sub 2,3] edges of several nickel compounds with different structural symmetries. Using ligand field atomic multiplet calculations, we find that there is a close relationship between the Ni L[sub 2,3] edge spectral features and the electronic structure at the nickel site. The L[sub 2,3] absorption edge is very sensitive to the spin state and the oxidation state of the nickel site, even for the formally trivalent nickel oxidation state. The Ni L[sub 2,3] edge is also sensitive to different structural nickel site symmetries, but less sensitive to changes in individual ligands. In the protein system investigated, the Ni-substituted Pyrococcus furiosus rubredoxin, we find a strongly distorted T[sub d] symmetry and a large zero field splitting, comparable to that observed in an optical MCD study. Because of the chemical sensitivity and specificity for only the nickel site, Ni L[sub 2,3] edges are a strong spectroscopic tool for investigating the nickel sites in large metalloproteins. The information obtained at the Ni L[sub 2,3] edge complements information from EXAFS measurements at the nickel K edge. 39 refs., 5 figs.
Capecitabine: An In-vitro Comparison between the Branded Xeloda ® 500 Mg and its Intended Copy Capeda 500 Mg

Introduction: Dissolution is an example of in-vitro test which can be used to identify formulations that may present potential bioequivalence problems. It is defined as the amount of substance that goes into solution per unit time under standardised conditions of liquid/solid interface, solvent composition and temperature. It is considered one of the most important tools to predict the in-vivo bioavailability and in some cases replacing clinical studies to determine bioequivalence. Aim: To compare the differences in the dissolution behaviour between two anticancer formulations, Xeloda® 500 mg (reference product) and Capeda 500 mg (test product). Methods: Four replicates for each batch of the tested medicines were carried out using a PT-DT70 dissolution tester (Pharma Test) to detect any differences in their dissolution behaviour. Samples at nine time intervals were tested according to the US Pharmacopeia with the rate of dissolution determined by ultra-violet spectrophotometery. Results: All the tested medicines complied with the pharmacopoeial specifications, the EMA and the FDA guidance for industry when achieved 85% dissolution in 60 minutes. However, Capeda 500 mg (test product) showed slower, different and incomplete dissolution rate compared to Xeloda® 500 mg (reference product) at both 60 and 120 minutes. Other visual differences in the weight, size, clarity of solution, presence of un-dissolved residue and particles during the dissolution test were also detected. Conclusion: Results in this study clearly raise a question about the interchangeability between Xeloda® 500 mg and its Intended copy Capeda 500 mg. Awareness of these scientific concerns should be considered when a clinical choice between these two drugs is required. Differences between the innovator and copy medicines with regard to pharmacokinetics, clinical efficacy and safety may exist. Thereby, patients’ monitoring after performing drug substitution of these two medicines is strongly recommended.