Miracle-dz/UniFAR-FTUs huggingface dataset:
Bioaccumulation of Heavy Metals in the Tissue of the Clam Galatea paradoxa and Sediments from the Volta Estuary, Ghana

The concentrations of heavy metals, Mn, Zn, Fe and Hg were determined in sediments and in the whole soft tissue of the clam Galatea paradoxa from two clam fishing locations, Ada and Aveglo at the Volta estuary in Ghana from March to September 2008. Thirty clams were obtained from each sampling location monthly and grouped into three size classes of 10 individuals each based on shell lengths as follows: small (25 -40mm), medium (41-55mm), and large (above 55mm). Metal concentrations in the tissues of the different clam size-classes from the two stations were similar and did not vary significantly.A comparative evaluation of the metal concentrations in the clams and sediments however, revealed significant variations in concentrations for Zn, Fe and, Hg. Concentration of Fe in the sediment from Ada for June was 18 times higher than the concentration in the clams similarly, Hg concentrations were approximately 5 times higher in the clam tissues than in the sediments. On the basis of calculated BSAFs the metal enrichment in the tissues of the clams rank in the following order Hg>Mn>Fe. The BSAFs indicated a significant accumulation of Hg in the clam tissues relative to the concentrations of other metals in the sediments. The concentrations of the studied metal in the clam and sediment samples are similar to those observed in areas under low pollution impact and the current the levels of contamination of these metals in the estuary do not exceed the clamsâ€™ capacity of regulation.
Tailormade SiC-based nanocables by the control of the methane concentration

Two different nanocable (NC) structures (SiC/a-SiO2 and SiC/a-C), with a crystalline β-SiC inner core (8 and 25 nm in diameter), are synthesized by catalytic chemical vapour deposition at 950 °C from a mixture of H2–CH4 on Ni/Si substrates. At the same experimental conditions, on just increasing the methane concentration, a change in the external shell from a-SiO2 to an amorphous carbon layer is induced. As discussed, the type of nanostructure to be grown is controlled by the running growth mechanism changing from vapour–liquid–solid to solid–liquid–solid (SLS). In any case, the final growth mechanism depends on the availability of the reactive species during the formation process, which in turn is determined by the methane concentration in the gas mixture. In addition, a bottom-like model is proposed for the growth of the SiC/a-C NCs following the SLS mechanism.
Laminar Burning Speed of n-Hexane-Air Mixtures

n-Hexane is an easy-to-use fuel for laboratory investigations of hydrocarbon vapor explosions and has been used widely as a surrogate for commodity fuels such as kerosene. As part of our ongoing studies into flammability hazards in aircraft environments, we have been carrying out experiments at reduced pressure, below 100 kPa, in order to measure ignition and flame propagation in n-hexane-air mixtures. The objectives of the present study were to study experimentally the effects of composition, initial temperature, and initial pressure on the burning speed of n-hexane-air mixtures. Our study expands on and complements existing data and compares the experimental measurements with numerical predictions from various chemical models. The laminar burning speed of n-hexane-air mixtures was measured experimentally using the spherically expanding flame technique. The effects of equivalence ratio, initial temperature and initial pressure were investigated in the ranges: Φ = 0.75–1.7, T_1 = 295–380 K and P_1 = 40–100 kPa, respectively. A typical inverted U-shaped curve was obtained for the evolution of the burning speed as a function of equivalence ratio. At a fixed composition, the burning speed increases as the initial temperature increases and as the initial pressure decreases; this is in agreement with previous burning speed studies done using n-alkanes, from C_5 to C_8. Three detailed reaction models, the JetSurF model, the model of Ramirez et al., and the Caltech model were evaluated with respect to the present data. The present study indicated that among the models tested, the JetSurF model is the most accurate model for evaluating n-hexane-air mixtures.
Study of Ambient Air Particulates (Particulate Matter [PM]2.5, PM10, and Total Suspended Particulates [TSP]) Ionic Species Concentrations in Asian Countries During 1995–2009

This review focuses on the concentrations of ionic species (Cl−, NO− 3, SO2− 4, Na+, NH+ 4, K+, Mg2+, and Ca2+) in ambient air in Asian countries during the years 1995–2009. The main likely source of the ionic species Cl−was the ocean while the source of NO− 3and SO2− 4was fossil fuel power stations, and that of Ca2+was terrestrial dust and alkaline particles from cement factory plants. The highest average concentrations of the ionic species Na+and Mg2+in total suspended particulates (TSP) were found in Hong Kong. The highest average concentrations of ionic species Na+, K+, and Ca2+in PM2.5 were found in Nanjing, China, while those of NO− 3and SO2− 4were found in Sha-Lu, Taiwan. The highest average concentrations of Cl−and NH+ 4were found in Beijing, China, while that of Mg2+was found in Shanghai, China.
Properties of starch-based blend films using citric acid as additive. II

Starch/polyvinyl alcohol (PVA) blend films were prepared by using corn starch, polyvinyl alcohol (PVA), glycerol (GL), and citric acid (CA) as additives and glutaraldehyde (GLU) as crosslinking agent for the mixing process. The additives, drying temperature, and the influence of crosslinker of films on the properties of the films were investigated. The mechanical properties, tensile strength (TS), elongation at break (% E), degree of swelling (DS), and solubility (S) of starch/PVA blend film were examined adding GL and CA as additives. At all measurement results, except for DS, the film adding CA was better than GL because hydrogen bonding at the presence of CA with hydroxyl group and carboxyl group increased the inter/intramolecular interaction between starch, PVA, and additives. CA improves the properties of starch/PVA blend film compared with GL. TS, % E, DS, and S of film adding GLU as crosslinking agent were examined. With increasing GLU contents, TS increases but % E, DS, and S value of GL-added and CA-added films decrease. When the film was dried at low temperature, the physical properties of the films were clearly improved because the hydrogen bonding was activated at low temperature. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 2554–2560, 2006
Effects of Amino Acid Composition on Protein Adsorption

Abstract The adsorption at silica and methylated silica of genetically engineered derivatives of Z and its dimer ZZ, where Z is a hydrophilic synthetic IgG binding domain derived from staphylococcal protein A, was studied with in situ ellipsometry. The protein modifications consisted of introducing short peptide stretches near the C-terminus of the protein. Using this approach, oligopeptide stretches containing hydrophobic tryptophan (Trp) or isoleucine (Ile) [(AlaTrpTrpPro) n or (AlaIlelIlePro) n (0 ≤ n ≤ 2), denoted T n and I n , respectively] were introduced in the protein. For comparison, the adsorption of the inserted peptide stretches (T n and I n ), as well as of Trp and Ile oligomers, was investigated. Increasing the number of Trp residues resulted in increased adsorption for ZZT n , ZT n , T n , and Trp n . At a given number of Trp residues, the adsorbed amount of the ZZ derivatives is larger than that of the peptides but about the same as that of the Z proteins. Analogous although somewhat smaller effects were obtained for the Ile-derivatized proteins. These results are discussed in terms of the “block copolymer” nature of the proteins. Theoretical calculations using a mean-field lattice model for block copolymer adsorption gave a qualitative agreement with the experimentally obtained results.
Glass‐Forming Composition Regions and Glass Transition Temperatures for Aqueous Electrolyte Solutions

As a first stage in a study of the low‐temperature‐region behavior of aqueous solutions, the composition regions of a large number of binary salt‐water systems in which macroscopic samples can be obtained in the vitreous state have been determined. The glass transition temperatures Tg within these regions have also been measured. Correlations of the magnitude of Tg at a given composition with the formal charge on the cation (for salts with a common anion) and with the viscosity “B” coefficient of the anion (for salts with a common cation) are presented. In addition, an important correlation is found with the basicity of the anion which is interpreted in terms of the bonding of anions to the protons of the water molecules in the cationic hydration sheath. Thermodynamic relations for the composition dependence of Tg are presented. From the breaks in the otherwise monotonic composition dependence of Tg in the chloride systems, the existence of low temperature liquid–liquid immiscibility regions is proposed a.
Theoretical study of hydration of cyanamide and carbodiimide

The isomerization reaction cyanamide → carbodiimide in vacuo and in the presence of up to six water molecules has been investigated by means of DFT and MP2 calculations, using a flexible basis set. The reliability of such methods has been checked against results of coupled cluster calculations on isolated molecules. The effect of water molecules has also been investigated in the case of the hydrolysis reaction of cyanamide and carbodiimide, leading to isourea. The number of water molecules considered is large enough to give results converged in activation and hydration energies. In addition to the water molecules explicitly described, the effect of water bulk solvent is taken into account according to the polarizable continuum model. The results show that the direct hydrolysis of H2NCN is hindered by an activation energy much higher than that for HNCNH, which in turn can be obtained from cyanamide with a relatively easy process.
Thermal Behavior of Scots Pine ( Pinus Sylvestris ) and Silver Birch ( Betula Pendula ) at 200-230°

Scots pine ( Pinus sylvestris ) and silver birch ( Betula pendula ) were heated for 4-8 h in a steam atmosphere at low temperatures (200-230°). The birch feedstock decomposed slightly more extensively (6.4-10.2 and 13.5-15.2% of the initial DS at 200° and 225°, respectively) than the pine feedstock (5.7-7.0 and 11.1-15.2% at 205° and 230°, respectively). The results indicated that the differences in mass loss between these feedstocks were due to mainly the fact that carbohydrates (cellulose and hemicelluloses) were more amenable to various degradation reactions than lignin in intact wood. The degradation reactions were also monitored in both cases by determining changes in the elemental composition of the heat-treated products.
Quantum Simulations for Semiconductor Quantum Dots: From Artificial Atoms to Wigner Molecules

Die Arbeit untersucht Elektronen in parabolischen Quantenpunkten mit Hilfe der Unrestricted Hartree-Fock (UHF) Naherung und exakter Pfadintegral Monte Carlo (PIMC) Simulationen. Das Hauptinteresse richtet sich hierbei auf den Ubergang zum stark korrelierten Wigner-Molekul. Die PIMC Additionsenergien zeigen das Verschwinden der magischen Zahlen mit zunehmender Wechselwirkung. Dies wird durch eine attraktive Storstelle, welche die Rotationssymmetrie bricht, noch verstarkt. Fur acht Elektronen ergibt sich ein neues Stabilitatsmaximum, mit einem Grundzustandsspin, der unter dem der Hundschen Regel liegt. In einem Tansportexperiment sollte sich dies in einer Spinblockade fur neun Elektronen ausern. Fur sechs Elektronen zeigt sich in den Ladungsdichten, dass der genaue Verlauf der Wigner-Kristallisation von Gesamtspin abhangt. Ferner werden die Eigenschaften und die Gute von UHF untersucht. Die Methode kann die kleinen Energiedifferenzen, die Additionsenergien und Grundzustandsspin bestimmen, nicht korrekt auflosen. UHF beschreibt das Einsetzen der Wigner-Kristallisation nur indirekt, die Ladungsdichten zeigen einen Gerade-Ungerade Effekt. Dies liegt an der Symmetriebrechung des Einteilchenansatzes. Der Effekt verschwindet mit Magnetfeld. Fur sehr starke Wechselwirkung ist UHF aquivalent zu einem Einteilchen-Gitterproblem.
Remediation of lead by pretreated red algae: adsorption isotherm, kinetic, column modeling and simulation studies

Batch and column biosorption experiments were carried on for lead uptake using ecofriendly biosorbents (raw and calcium chloride [CaCl2] or formaldehyde pretreated form of red marine algae Jania ruben [Linnaeus]). The best-fit (linear and nonlinear) isotherms, kinetics, and column adsorption models were identified using statistical analysis. Freundlich, Langmuir, Temkin, Redlich–Peterson, and Elovich adsorption isotherm models were tested. Highest adsorption capacity (774 mg/g) has been observed with Jania algae pretreated with formaldehyde. Pseudo-first- and second-order adsorption kinetics were applicable. The column capacity for lead removal with Jania pretreated with CaCl2 was found to be 1089.6 (mg/g) from the breakthrough curve area method. Thomas, Yoon-Nelson, Yan, and Clark column models were tested with regression analysis. Thomas model is the best column model with capacity qTh = 1092.4 mg/g. Overall, 98.5% regeneration of column was achieved, indicating the suitability of using algae materials in multioperational cycles. Adsorbed lead present in algae material was confirmed by thermal analysis.
Introduction to Spectroscopy

This well-rounded introduction features updated spectra, a modernized presentation of one-dimensional Nuclear Magnetic Resonance (NMR) spectroscopy, the introduction of biological molecules in mass spectrometry, and inclusion of modern techniques alongside DEPT, COSY, and HECTOR. Count on this book’s exceptional presentation to provide the comprehensive coverage needed to truly understand today’s spectroscopic techniques.
Cross‐Scale Modeling and Simulation of Coal Pyrolysis to Acetylene in Hydrogen Plasma Reactors

Coal pyrolysis to acetylene in hydrogen plasma is carried out under ultrahigh temperature and milliseconds residence time. To better understand the complex gas-particle reaction behavior, a comprehensive computational fluid dynamics with discrete phase model has been established, with special consideration of the particle-scale physics such as the heat conduction inside particle. The improved chemical percolation devolatilization model that incorporates the tar cracking reactions is adopted. The model predictions are in good agreement with the performances of two pilot-plant reactors. The simulations reveal the detailed unmeasurable information of gas phase and particle-scale behaviors, then point out the facts that coal devolatilization almost finishes in the first 100 mm of the reaction chamber and the optimal particle diameter is suggested to be 20–50 μm. The different reactor performances during the scale-up from 2- to 5-MW unit are analyzed based on the detailed simulation results in combination with the operational experience. © 2012 American Institute of Chemical Engineers AIChE J, 59: 2119–2133, 2013
Bridging the Gap Between Adversarial Robustness and Optimization Bias

We demonstrate that the choice of optimizer, neural network architecture, and regularizer significantly affect the adversarial robustness of linear neural networks, providing guarantees without the need for adversarial training. To this end, we revisit a known result linking maximally robust classifiers and minimum norm solutions, and combine it with recent results on the implicit bias of optimizers. First, we show that, under certain conditions, it is possible to achieve both perfect standard accuracy and a certain degree of robustness, simply by training an overparametrized model using the implicit bias of the optimization. In that regime, there is a direct relationship between the type of the optimizer and the attack to which the model is robust. To the best of our knowledge, this work is the first to study the impact of optimization methods such as sign gradient descent and proximal methods on adversarial robustness. Second, we characterize the robustness of linear convolutional models, showing that they resist attacks subject to a constraint on the Fourier-$\ell_\infty$ norm. To illustrate these findings we design a novel Fourier-$\ell_\infty$ attack that finds adversarial examples with controllable frequencies. We evaluate Fourier-$\ell_\infty$ robustness of adversarially-trained deep CIFAR-10 models from the standard RobustBench benchmark and visualize adversarial perturbations.
EFFECTIVENESS OF STANDARD SOIL TESTS FOR ASSESSING POTASSIUM AVAILABILITY IN SAND ROOTZONES

Potassium (K) is the most abundant cation in the cytoplasm, and large amounts are needed for optimum plant growth. In sand rootzones with low cation exchange capacity (CEC), commonly used for putting greens, K availability may be limited, especially when the sands are calcareous. Tools are needed to assess K availability and to direct K management for such calcareous sands. The objectives of this study were to: (i) evaluate six extraction methods (1 N NH4OAc, Mehlich 3, Morgan, 0.01 M CaCl2, 0.01 M SrCl2, and water) for their effectiveness in quantifying soil extractable K following K fertilizer applications; and (ii) to ascertain how the extractable K was related to tissue K concentrations. Potassium was applied as K2SO4 at six rates (0, 3, 6, 13, 19, and 25 g K m−2 56 days−1) to a creeping bentgrass [Agrostis stolonifera var. palustris (Huds.) Farw. ] putting green grown on a calcareous sand rootzone. The potassium was applied at 2-week intervals (4 applications within the 56-day period) and repeated during two different irrigation regimes. Soils were sampled and analyzed after the fourth application. Each extraction method detected an increase in soil extractable K following K fertilizer application. The K concentrations were lowest in the water extracts and highest in the Mehlich 3 extracts, irrespective of irrigation regime, but less K was recovered under higher irrigation intensity. Creeping bentgrass tissue K content increased with K application rate. However, maximum tissue K content was obtained at lower soil K levels under the high irrigation intensity than under the lower irrigation intensity. Our results show that each extraction method could be used to detect an increase in extractable K and to predict an increase in tissue K content. Nevertheless, factors other than soil K concentration also affected the tissue K content, which suggests that soil K concentrations may not be a reliable predictor of tissue K content in this sand rootzone.
Evolution of the electron energy distribution and plasma parameters in a pulsed magnetron discharge

We demonstrate the creation of high-density plasma in a pulsed magnetron discharge. A 2.4 MW pulse, 100 μs wide, with a repetition frequency of 50 Hz is applied to a planar magnetron discharge to study the temporal behavior of the plasma parameters: the electron energy distribution function, the electron density, and the average electron energy. The electron density in the vicinity of the substrate, 20 cm below the cathode target, peaks at 8×1017 m−3, 127 μs after initiating the pulse. Towards the end of the pulse two energy groups of electrons are present with a corresponding peak in average electron energy. With the disapperance of the high-energy electron group, the electron density peaks, and the electron energy distribution appears to be Maxwellian like. Following the electron density peak, the plasma becomes more Druyvesteyn like with a higher average electron energy.
PENYISIHKAN KANDUNGAN ORGANIK LIMBAH MELALUI PENENTUAN KONSTANTA SUBSTRAT DENGAN MENGGUNAKAN ROTATING BIOLOGICAL CONTACTOR (RBC)

RBC media 3 dimensional bergerigi is one is the biological treatment which consists of a series of kontaktor played the way the medium shaped 3 dimensional jagged. With a 3 dimensional jagged media then the surface area will be even greater. Design parameters of for RBC's organic loading (Rs) and the substrate constants (Ks) done in batches or in a State of steady state most still with media type 2 dimension. So this research is done in batches in determining the design parameters of organic loading (Rs) and the substrate Constants (Ks) of the RBC 3-dimensional media with the analysis of kinetic process. This research was also conducted to know the percentage of allowance for RBC media 3 -dimensional organic content on COD, TSS and the influence of chemical parameters that DO, pH and temperature. This research was conducted by variation concentration of COD with influent (So) = 6420 5126 mg/l, mg/l (So * 80%), 3854 mg/l (So * 60%), 2470 mg/l (So * 40%), 658 mg/l (So * 20%), and the sampling time is 6 hours, 12 hours, 3 hours, 24 hours, 30 minutes. From research conducted retrieved results which best COD concentration stage of 96,21% for COD at the COD variation of 3854 mg/l and TSS concentrations of 90,96%, in 20% of waste. Temperatures kept between 25 C to 30 C, the pH of the effluent waste tofu is netral operations know as to the value of 6 to 8, DO most quickly emerged that at the time of sampling of 6 hours with a 20% waste. Parameter design on RBC media 3 dimensional jagged to organic loading (Rs) of 8.4895 g/m2 day and substrate Constants (Ks) of 1107,16 mg/l jam Penyisihan Kandungan Organik dengan RBC ,
Banana-shaped mesogens derived from 2,7-dihydroxynaphthalene and 1,3-dihydroxybenzene: Novel columnar mesophases

The synthesis and mesomorphic properties of a number of compounds belonging to different homologous series and derived from 2,7-dihydroxynaphthalene are described. In addition, several compounds derived from 1,3-dihydroxybenzene have also been synthesized for comparison. All these compounds are relatively stable esters of E-p-n-alkoxycinnamic acids and E-p-n-alkoxy-α-methylcinnamic acids which are incorporated in the arms of these bent-core compounds. Many of these compounds show interesting mesophases including a novel antiferroelectric columnar phase with a rectangular lattice. Direct transitions from a rectangular columnar B1 phase, an antiferroelectric B2 phase, and an intercalated B6 phase to a nematic phase have also been obtained. In addition, a direct transition from a novel columnar phase with an oblique lattice to a nematic phase has also been observed for the first time. The X-ray diffraction pattern of an oriented sample of the mesophase with an oblique lattice exhibited by a bent-core materia.
Anti-HIV terpenoids from Daphne aurantiaca Diels. stems

Thirteen new sesquiterpenoids, including six guaiane type auranticanols A–F (1, 2, and 4–7) and seven carotene type auranticanols G–M (18–24) were isolated from the stems of Daphne aurantiaca Diels. , along with fourteen known sesquiterpenoids (3, 8–17, 25–27) and two known tigliane diterpenoids (28, 29), and their structures were elucidated by extensively analyzing their MS and NMR spectroscopic data. A bioassay of anti-HIV activity indicated that compounds 11, 14, 19, and 28 showed definite activities with EC50 values of 2.138, 0.286, 1.773 and 0.000282 μg mL−1 and SI > 93.545, 93.787, 10.243, and 65177.305, respectively.
Configurational double bond selectivity in the epoxidation of hydroxy-terminated polybutadiene with m-chloroperbenzoic acid

The selectivity of the three different double bonds (CIS, TRANS and VINYL) of hydroxyterminated polybutadiene regarding epoxidation was evaluated, using m-chloroperbenzoic acid in toluene below room temperature (−10°C, −5°C, 0°C and 5°C). To determine the kinetic constants for the three configuratons (k1,cis = (2,59–0,6) × 10−2 L · mol−1 · min−1; k2, trans = (5,35–0,82) × 10−2 L · mol−1 · min−1; k3, vinyl = (0,97–0,01) × 10−2 L · mol−1 min−1), 1H and 13C NMR was used along with a system of three parallel equations. The activation energy values were also evaluated (Ea, cis = 53,9 kJ · mol−1; Ea, trans = 70,7 kJ · mol−1 and Ea, vinyl = 261,1 kJ · mol−1) for the three double bond types.