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101.
Abbas Afkhami Tayyebeh Madrakian Ali Shirzadmehr Hasan Bagheri Masoumeh Tabatabaee 《Ionics》2011,18(9):881-889
An effective potentiometric sensor had been fabricated for the rapid determination of Pb2+ based on carbon paste electrode consisting of room temperature ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6), multiwalled carbon nanotubes (MWCNTs), nanosilica, synthesized Schiff base, as an ionophore, and graphite powder. The constructed nanocomposite electrode showed better sensitivity, selectivity, response time, response stability, and lifetime in comparison with typical Pb2+ carbon paste electrode for the successfully determination of Pb2+ ions in water and in waste water samples. The best response for nanocomposite electrode was obtained with electrode composition of 18% ionophore, 20% BMIM-PF6, 49% graphite powder, 10% MWCNT, and 3% nanosilica. The new electrode exhibited a Nernstian response (29.76?±?0.10 mV decade?1) toward Pb2+ ions in the range of 5?×?10?9?C1.0?×?10?1 mol L?1 with a detection limit of 2.51?×?10?9 mol L?1. The potentiometric response of prepared sensor is independent of the pH of test solution in the pH range of 4.5?C8.0. It has quick response with response time of about 6 s. The proposed electrode show fairly good selectivity over some alkali, alkaline earth, transition, and heavy metal ions. 相似文献
102.
In this paper, we model and solve profit maximization problem of a telecommunications Bandwidth Broker (BB) under uncertain market and network infrastructure conditions. The BB may lease network capacity from a set of Backbone Providers (BPs) or from other BBs in order to gain profit by leasing already purchased capacity to end-users. BB’s problem becomes harder to deal with when bandwidth requests of end-users, profit and cost margins are not known in advance. The novelty of the proposed work is the development of a mechanism via combining fuzzy and stochastic programming methodologies for solving complex BP selection and bandwidth demand allocation problem in communication networks, based on the fact that information needed for making these decisions is not available prior to leasing capacity. In addition, suggested model aims to maximize BB’s decision maker’s satisfaction ratio rather than just profit. As a solution strategy, the resulting fuzzy stochastic programming model is transformed into deterministic crisp equivalent form and then solved to optimality. Finally, the numerical experiments show that on the average, proposed approach provides 14.30% more profit and 69.50% more satisfaction ratio compared to deterministic approaches in which randomness and vagueness in the market and infrastructure are ignored. 相似文献
103.
Matrix–fracture transfer functions are the backbone of any dual-porosity or dual-permeability formulation. The chief feature
within them is the accurate definition of shape factors. To date, there is no completely accepted formulation of a matrix–fracture
transfer function. Many formulations of shape factors for instantly-filled fractures with uniform pressure distribution have
been presented and used; however, they differ by up to five times in magnitude. Based on a recently presented transfer function,
time-dependent shape factors for water imbibing from fracture to matrix under pressure driven flow are proposed. Also new
matrix–fracture transfer pressure-based shape factors for instantly-filled fractures with non-uniform pressure distribution
are presented in this article. These are the boundary conditions for a case for porous media with clusters of parallel and
disconnected fractures, for instance. These new pressure-based shape factors were obtained by solving the pressure diffusivity
equation for a single phase using non-uniform boundary conditions. This leads to time-dependent shape factors because of the
transient part of the solution for pressure. However, approximating the solution with an exponential function, one obtains
constant shape factors that can be easily implemented in current dual-porosity reservoir simulators. The approximate shape
factors provide good results for systems where the transient behavior of pressure is short (a case commonly encountered in
fractured reservoirs). 相似文献
104.
Hasan Karabıyık Hande Petek Nazan Ocak İskeleli Çiğdem Albayrak Erbil Ağar 《Journal of chemical crystallography》2011,41(11):1642-1648
Abstract
Some molecules having a molecular skeleton similar to that of stilbenes and azobenzenes show orientational disorder in the crystals due to pedal motion. Heretofore, the orientational disorder through pedal motion has been observed for the compounds containing only two aromatic rings in the absence of bulky substituent groups. Here we report that the pedal motion can be detected even in the presence of a bulky substituent group to which orientational disorder becomes invisible as a result of anchor effect arising from phenoxyphtalonitrile group. X-ray crystallographic analysis of the compound, C23H18N4O, reveals the existence of partially overlapped two pedal conformers. The compound crystallizes in the monoclinic space group P21/c with a = 12.9429(11) Å, b = 8.5075(5) Å, c = 21.063(2) Å and β = 123.155(6)°. Major pedal conformer is stabilized by weak C–H···O type hydrogen bond and C–H···π type edge-to-face interactions in solid state. Quantum chemical calculations at B3LYP/6-311G+(d,p) level suggest that the stabilization of the compound decreases with increasing deviation from the planar geometry of trans-azobenzene fragment. 相似文献105.
106.
Hasan H. Ince F. Aylin Sungur Konuklar Ilke Ugur Ö. Alaz Ozcan Maryam Sayadi Michael Feig 《Molecular physics》2013,111(23):3839-3848
Deamidation plays an important role in biochemical phenomena such as aging. The role of the n + 1 residue on the deamidation of asparagine (asparagine being the nth residue) in three pentapeptide chains (GGNGG, GGNMG and GGNIG) has been analysed with hybrid computational tools. Potentials of mean force at 300 K were calculated from the MD/replica exchange simulations using weighted histogram analysis (WHAM) in explicit water. The snapshots were clustered taking into account the requirements of the plausible deamidation mechanisms, as such the tautomerisation of the asparagine side chain as initial step has been confirmed, based on the proximity of water to the deamidation site. The ultimate goal being to gain an insight on the peptide backbone N-H acidity, quantum mechanical calculations have been carried out. For this purpose, the distribution of Φ/Ψ, Φ2/Ψ and end-to-end distances deduced from the WHAM diagrams have been considered and a total of 110 structures have been sampled. These neutral pentapeptides as well as their corresponding anions have been optimised (B3LYP/6-31++G(d,p)) in implicit water in order to gain an insight on the peptide backbone N-H acidity. In this study, we have shown that the open conformations of the neutrals and the anions, which display a β sheet like structure are well populated and their pKas rank in the same order as the deamidating half-lives, that is the peptides that deaminate fastest can more readily access conformations that are more acidic. 相似文献
107.
Muthiah Manoharan Akin Akinc Rajendra K. Pandey June Qin Philipp Hadwiger Matthias John Kathy Mills Klaus Charisse Martin A. Maier Lubomir Nechev Emily M. Greene Pradeep S. Pallan Eriks Rozners Kallanthottathil G. Rajeev Martin Egli 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2011,123(10):2332-2336
108.
Iqbal Mahmud A.J.F. Samed Md. Anamul Haque Md. Abu Bin Hasan Susan 《Journal of Saudi Chemical Society》2011,15(3):203-208
Cyclic voltammetric behavior of anthraquinone in aqueous medium has been studied in presence of a non-ionic surfactant, Triton X-100 (TX-100) using sodium salt of anthraquinone-2-sulphonic acid (AQS) as the electro-active species. When cathodic potential is applied, the anthraquinone (AQ) group of AQS is reduced to its dianion. In the reverse scan, the oxidation of AQ2− gives AQ. The electrochemical behavior shows a profound influence from the dissolved state of TX-100 in aqueous media. Spectrophotometric results indicate interaction between AQ and TX-100. A CEC (chemical–electrochemical–chemical) mechanism with the electrochemical reaction coupled with preceding interaction of AQS with TX-100 and following protonation reaction of reduced AQ has been proposed. 相似文献
109.
Shaikh A. Ali N. Y. Abu‐Thabit Hasan A. Al‐Muallem 《Journal of polymer science. Part A, Polymer chemistry》2010,48(24):5693-5703
The zwitterionic monomer, ethyl 3‐(N,N‐diallylammonio)propanephosphonate, was cyclopolymerized in aqueous solutions using t‐butylhydroperoxide or ammonium persulfate as initiators to afford a polyphosphonobetaine (PPB). The protonation of P(?O)OEtO– and deprotonation of ? NH+ groups in PPB by HCl and NaOH, gave the corresponding cationic polyphosphononic acid (CPP) and anionic polyphosphonate (APP). The presence of two pH‐responsive functionalities in APP has led to establish the equilibria: APP ? PPB ? CPP, the position of which very much dictates the viscosity behavior of its aqueous solution. The PPB demonstrated “antipolyelectrolyte” viscosity behavior; however, in contrast to many polycarbo‐ and polysulfo‐betaines, it was found to be soluble in salt‐free water as well as in salt‐added solutions. Basicity constant (K1) of the amine group in APP, as determined by potentiometric technique, were found to be “apparent,” and as such followed the modified Henderson‐Hasselbalch equation. The study demonstrated a correlation between the basicity constants and viscosity values. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010 相似文献
110.
Ülkü Yılmaz Hasan Küçükbay Nihat Şireci Mehmet Akkurt Selami Günal Rıza Durmaz M. Nawaz Tahir 《应用有机金属化学》2011,25(5):366-373
A mixture of benzimidazole salts (2–7), Pd(OAc)2 and K2CO3 in DMF–H2O catalyzes the Suzuki–Miyaura cross‐coupling reactions promoted by microwave irradiation resulting in high yield within a short time. In particular, the yield of the Suzuki–Miyaura reactions with aryl bromides was found to be nearly quantitative. The synthesized benzimidazole salts (2–7) were identified by 1H‐13C, NMR, IR spectroscopic methods and microanalysis. The molecular structure of 1 was determined by X‐ray crystallography. The antibacterial and antifungal activities of the novel benzimidazole derivatives (1–7) were also tested against standard strains. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献