Adsorption of Metanil Yellow Azoic Dye from Aqueous Solution onto Mg‐Fe‐NO3 Layered Double Hydroxide

We report the preparation and characterization of a layered double hydroxide (LDH) adsorbent for azoic dye, metanil yellow (yellow GX; YGX) removal. The nanoparticles of Mg‐Fe‐LDH‐NO₃ adsorbent were prepared with Mg/Fe molar ratio of 3:1 by a hydrothermal process and coprecipitation method at pH 9.5 and were characterized by X‐ray powder diffraction (XRPD), thermal gravimetric analysis (TGA), elemental analysis, and Fourier transform infrared spectroscopy (FT‐IR). The size and morphology of nanoparticles were examined by scanning electron microscopy (SEM). The XRD patterns indicate that the intercalation of YGX between the LDH layers has not occurred and surface adsorption has happened. In the adsorption experiments, the Gibbs free energy ΔG⁰ values, the enthalpy ΔH⁰, and entropy ΔS⁰ was determined. The isotherms showed that the adsorption of YGX by Mg‐Fe‐LDH‐NO₃ was both consistent with Langmuir and Freundlich equations.     

Thermal Decomposition Kinetics of Ethane Halides and Derivatives（C_2H_（6-n）X_n（n = 1～3）;X = F,Cl,Br）：DFT Study and NBO Analysis

A theoretical study of the thermal decomposition kinetics of ethane halides(C2H6-nXn(n = 1～3);X = F,Cl,Br) has been carried out at the B3LYP/6-31++G** and B3PW91/631++G** levels of theory.Among these methods and comparison of activation parameters with available experimental values,the B3PW91/6-31++G** method is in good agreement with the experimental data.The analysis of bond order and natural bond orbital(NBO) charges,bond indexes,and synchronicity parameters suggest the elimination of HX in reactions 1～9(HF:compounds 1～3,HCl:compounds 4～6,and HBr:compounds 7～9) occur through a concerted and slightly asynchronous four-membered cyclic transition state type of mechanism.     

Selecting symmetric weights as a secondary goal in DEA cross-efficiency evaluation

In data envelopment analysis (DEA), the cross-efficiency evaluation method introduces a cross-efficiency matrix, in which the units are self and peer evaluated. A problem that possibly reduces the usefulness of the cross-efficiency evaluation method is that the cross-efficiency scores may not be unique due to the presence of alternate optima. So, it is recommended that secondary goals be introduced in cross-efficiency evaluation. In this paper we propose the symmetric weight assignment technique (SWAT) that does not affect feasibility and rewards decision making units (DMUs) that make a symmetric selection of weights. A numerical example is solved by our proposed method and its solution is compared with those of alternative approaches.     

On the Roman Bondage Number of Planar Graphs

A Roman dominating function on a graph G is a function f : V(G) → {0, 1, 2} satisfying the condition that every vertex u for which f (u) = 0 is adjacent to at least one vertex v for which f (v) = 2. The weight of a Roman dominating function is the value f (V(G)) = ?_{u ? V(G)} f (u){f (V(G)) = \sum_{u\in V(G)} f (u)}. The Roman domination number, γ _R (G), of G is the minimum weight of a Roman dominating function on G. The Roman bondage number b _R (G) of a graph G with maximum degree at least two is the minimum cardinality of all sets E^￠ í E(G){E^{\prime} \subseteq E(G)} for which γ _R (G − E′) > γ _R (G). In this paper we present different bounds on the Roman bondage number of planar graphs.     

Hollow fiber liquid phase microextraction as a preconcentration and clean-up step after pressurized hot water extraction for the determination of non-steroidal anti-inflammatory drugs in sewage sludge

A method for the quantitative determination of non-steroidal anti-inflammatory drugs (NSAIDs) in sewage sludge was developed and validated. The target compounds were extracted using pressurized hot water extraction (PHWE) and then purified and preconcentrated by three-phase hollow fiber liquid phase microextraction (HF-LPME) followed by LC–ESI-MS analysis. The PHWE was optimized with regard to the pH of solvent as well as other operational parameters. The optimum conditions were 0.01 M NaOH as the extraction solvent, temperature of 120 °C, pressure of 100 bar, static time 5 min, 5 cycles, flush volume 90% and purge time 60 s. Spike recoveries for sludge samples spiked at 200 ng g⁻¹ were in the range of 101–109% but for the native drugs in non-spiked sludge samples, recoveries were 38.9%, 59.8%, 90.3% and 47.8% for ketoprofen, naproxen, diclofenac and ibuprofen, respectively. Donor phase pH, ionic strength and extraction time were optimized for HF-LPME after PHWE. The optimum conditions were 2 h extraction at pH 1.5 without salt addition. Enrichment factors in the range of 947–1213 times were achieved (extraction recoveries were 23.6–30.3%) for HF-LPME after PHWE. The matrix effect on the ionization of drugs in LC–ESI-MS was also investigated. The results show that there is a smaller matrix effect (−8.9% to +14.6%) in comparison with other published values obtained using solid phase extraction (SPE) for clean-up after pressurized liquid extraction (PLE). Method detection limits (MDLs) and method quantification limits (MQLs) for different drugs were in the range of 0.4–3.7 ng g⁻¹ and 1.5–12.2 ng g⁻¹ in dried sludge samples, respectively. The characteristics of the proposed method were compared with those of other published works. The considerably lower ion suppression/enhancement and minimum use of organic solvents (a few microliters of di-n-hexyl ether) in the sample preparation step are two highlighted advantages of the proposed method in comparison with previously published works. The method was applied to determine NSAIDs in sewage sludge from Källby wastewater treatment plant (Lund, Sweden) in April, June, August and October 2010. The highest concentration level was recorded for ibuprofen in the April sewage sludge sample (588 ng g⁻¹) and all of the selected NSAIDs were detected in all the samples analyzed.     

Diversity of phage-displayed libraries of peptides during panning and amplification

The amplification of phage-displayed libraries is an essential step in the selection of ligands from these libraries. The amplification of libraries, however, decreases their diversity and limits the number of binding clones that a screen can identify. While this decrease might not be a problem for screens against targets with a single binding site (e.g., proteins), it can severely hinder the identification of useful ligands for targets with multiple binding sites (e.g., cells). This review aims to characterize the loss in the diversity of libraries during amplification. Analysis of the peptide sequences obtained in several hundred screens of peptide libraries shows explicitly that there is a significant decrease in library diversity that occurs during the amplification of phage in bacteria. This loss during amplification is not unique to specific libraries: it is observed in many of the phage display systems we have surveyed. The loss in library diversity originates from competition among phage clones in a common pool of bacteria. Based on growth data from the literature and models of phage growth, we show that this competition originates from growth rate differences of only a few percent for different phage clones. We summarize the findings using a simple two-dimensional "phage phase diagram", which describes how the collapse of libraries, due to panning and amplification, leads to the identification of only a subset of the available ligands. This review also highlights techniques that allow elimination of amplification-induced losses of diversity, and how these techniques can be used to improve phage-display selection and enable the identification of novel ligands.     

Buckling analysis of stringer-stiffened laminated cylindrical shells with nonuniform eccentricity

In this study, the influence of nonuniformity of eccentricity of stringers on the general axial buckling load of stiffened laminated cylindrical shells with simply supported end conditions is investigated. The critical loads are calculated using Love’s First-order Shear Deformation Theory and solved using the Rayleigh-Ritz procedure. The effects of the shell length-to-radius ratio, shell thickness-to-radius ratio, number of stringers, and stringers depth-to-width ratio on the buckling load of nonuniformly eccentric shells, are examined. The research demonstrates that an appropriate nonuniform distribution of eccentricity of stringers leads the buckling load to increase significantly.     

A Langevin equation for the rates of currency exchange based on the Markov analysis

We propose a method for analyzing the data for the rates of exchange of various currencies versus the U.S. dollar. The method analyzes the return time series of the data as a Markov process, and develops an effective equation which reconstructs it. We find that the Markov time scale, i.e., the time scale over which the data are Markov-correlated, is one day for the majority of the daily exchange rates that we analyze. We derive an effective Langevin equation to describe the fluctuations in the rates. The equation contains two quantities, D⁽¹⁾ and D⁽²⁾, representing the drift and diffusion coefficients, respectively. We demonstrate how the two coefficients are estimated directly from the data, without using any assumptions or models for the underlying stochastic time series that represent the daily rates of exchange of various currencies versus the U.S. dollar.     

Interactive effects of local smoothing window size and fundamental frequency on shimmer calculation

Slow amplitude modulation of human voice was approximated by a sinusoidal wave. The theoretical effects of smoothing window size, F₀, and modulation frequency on window amplitude average as well as calculated shimmer were mathematically derived. Subsequently, the theoretical predictions were tested using idealized and real voice signals from normal speakers. The theoretical and experimental results suggest that shimmer (when calculated using a smoothing window) is a function of window duration and modulation frequency. Window duration when defined as a constant number of pitch periods varies from speaker to speaker depending on their F₀. It may not be desirable to use local smoothing windows with a constant number of cycles for shimmer computation, especially if voices with known low-frequency amplitude modulations but notably different fundamental frequencies are compared.     

Bounding the performance of tandem queues with finite buffer spaces

We consider a queueing system with three single servers in tandem with two intermediate buffer storages of finite capacity. The processing times are exponentially distributed and the first server has unlimited number of customers in front of it. Using a negative dependence property between the number of customers at the first and second buffer storages we show that a popular form of decomposition approach applied to this model, indeed, provides a lower bound for its performance. The approach used here to establish the bound is new and could be extended to establish bounds for other types of tandem queues with finite buffer spaces.