Application of a thiourea‐containing task‐specific ionic liquid for the solid‐phase extraction cleanup of lead ions from red lipstick,pine leaves,and water samples

Here, task‐specific ionic liquid solid‐phase extraction is proposed for the first time. In this approach, a thiourea‐functionalized ionic liquid is immobilized on the solid sorbent, multiwalled carbon nanotubes. These modified nanotubes packed into a solid‐phase extraction column are used for the selective extraction and preconcentration of ultra‐trace amounts of lead(II) from aqueous samples prior to electrothermal atomic absorption spectroscopy determination. The thiourea functional groups act as chelating agents for lead ions retaining them and so, give the selectivity to the sorbent. Elution of the retained ions can be performed using an acidic thiourea solution. The effects of experimental parameters including pH of the aqueous solution, type and amount of eluent, and the flow rates of sample and eluent solutions on the separation efficiency are investigated. The linear dependence of absorbance of lead on its concentration in the initial solution is in the range of 0.5–40.0 ng/mL with the detection limit of 0.13 ng/mL (3s_b/m, n = 10). The proposed method is applicable to the analysis of red lipstick, pine leaves, and water samples for their lead contents.     

Empirical Interpolation Decomposition

The Kantorovich metric provides a way of measuring the distance between two Borel probability measures on a metric space. This metric has a broad range of applications from bioinformatics to image processing, and is commonly linked to the optimal transport problem in computer science (Deng and Du in Electron. Notes Theor. Comput. Sci. 253: 73–82, 2009; Villani in Optimal Transport: Old and New, Grundlehren der mathematischen Wissenschaften, vol. 338, 2009). Noteworthy to this paper will be the role of the Kantorovich metric in the study of iterated function systems, which are families of contractive mappings on a complete metric space. When the underlying metric space is compact, it is well known that the space of Borel probability measures on this metric space, equipped with the Kantorovich metric, constitutes a compact, and thus complete metric space. In previous work, we generalized the Kantorovich metric to operator-valued measures for a compact underlying metric space, and applied this generalized metric to the setting of iterated function systems (Davison in Acta Appl. Math., 2014, https://doi.org/10.1007/s10440-014-9976-y; Generalizing the Kantorovich Metric to Projection-Valued Measures: With an Application to Iterated Function Systems, 2015; Acta Appl. Math., 2018, https://doi.org/10.1007/s10440-018-0161-6). We note that the work of P. Jorgensen, K. Shuman, and K. Kornelson provided the framework for our application to this setting (Jorgensen in Adv. Appl. Math. 34(3):561–590, 2005; Jorgenson et al. in J. Math. Phys. 48(8):083511, 2007; Jorgensen in Operator Theory, Operator Algebras, and Applications, Contemp. Math., vol. 414, pp. 13–26, 2006). The situation when the underlying metric space is complete, but not necessarily compact, has been studied by A. Kravchenko (Sib. Math. J. 47(1), 68–76, 2006). In this paper, we extend the results of Kravchenko to the generalized Kantorovich metric on operator-valued measures.

     

Synthesis,characterization and antibacterial activity of palladium(II) bromide complexes of thioamides; X-ray structure of [Pd(tetramethylthiourea)<Subscript>4</Subscript>]Br<Subscript>2</Subscript>

Palladium(II) bromide complexes of thioamides having the general formulae [PdL₂Br₂] and [PdL₄]Br₂ where L = Thiourea (Tu), Methylthiourea (Metu), Dimethylthiourea (Dmtu), Tetramethylthiourea (Tmtu), Imidazolidine-2-thione (Imt), Mercaptopyridine (Mpy), Mercaptopyrimidine (Mpm) and Thionicotinamide (Tna) were prepared by reacting K₂[PdCl₄] with KBr and the corresponding thioamides. The complexes were characterized by elemental analysis, IR and NMR spectroscopy, and one of them, [Pd(Tmtu)₄]Br₂ (1) by X-ray crystallography. The crystal structure of 1 shows a square-planar coordination environment around the Pd(II) atoms with the average cis and trans S–Pd–S bond angles of 90.0° and 180.0°, respectively. The synthesized complexes were screened for antibacterial effects, and the results showed that the complexes exhibit significant activities against both gram positive and gram negative bacteria.     

Ensemble of a subset of <Emphasis Type="Italic">k</Emphasis>NN classifiers

Combining multiple classifiers, known as ensemble methods, can give substantial improvement in prediction performance of learning algorithms especially in the presence of non-informative features in the data sets. We propose an ensemble of subset of kNN classifiers, ESkNN, for classification task in two steps. Firstly, we choose classifiers based upon their individual performance using the out-of-sample accuracy. The selected classifiers are then combined sequentially starting from the best model and assessed for collective performance on a validation data set. We use bench mark data sets with their original and some added non-informative features for the evaluation of our method. The results are compared with usual kNN, bagged kNN, random kNN, multiple feature subset method, random forest and support vector machines. Our experimental comparisons on benchmark classification problems and simulated data sets reveal that the proposed ensemble gives better classification performance than the usual kNN and its ensembles, and performs comparable to random forest and support vector machines.     

Exploring Amantadine Derivatives as Urease Inhibitors: Molecular Docking and Structure–Activity Relationship (SAR) Studies

This article describes the design and synthesis of a series of novel amantadine-thiourea conjugates (3a–j) as Jack bean urease inhibitors. The synthesized hybrids were assayed for their in vitro urease inhibition. Accordingly, N-(adamantan-1-ylcarbamothioyl)octanamide (3j) possessing a 7-carbon alkyl chain showed excellent activity with IC₅₀ value 0.0085 ± 0.0011 µM indicating that the long alkyl chain plays a vital role in enzyme inhibition. Whilst N-(adamantan-1-ylcarbamothioyl)-2-chlorobenzamide (3g) possessing a 2-chlorophenyl substitution was the next most efficient compound belonging to the aryl series with IC₅₀ value of 0.0087 ± 0.001 µM. The kinetic mechanism analyzed by Lineweaver–Burk plots revealed the non-competitive mode of inhibition for compound 3j. Moreover, in silico molecular docking against target protein (PDBID 4H9M) indicated that most of the synthesized compounds exhibit good binding affinity with protein. The compound 3j forms two hydrogen bonds with amino acid residue VAL391 having a binding distance of 1.858 Å and 2.240 Å. The interaction of 3j with amino acid residue located outside the catalytic site showed its non-competitive mode of inhibition. Based upon these results, it is anticipated that compound 3j may serve as a lead structure for the design of more potent urease inhibitors.     

Modification and generalization of some methods to improve the accuracy of α-determination in the 1/E1+α epithermal neutron spectrum

Some methods described in the literature for the determination of α in the 1/E^1+α epithermal neutron spectrum are critically reviewed with respect to their accuracy. The multi resonance—detector method with Cd-covered irradiations, as used by SCHUMANN and ALBERT, is generalized by subtracting the epithermal 1/v-tail and by introducing the effective resonance energy, as defined by RYVES. The two-detector method of RYVES is modified by using Cd-ratio measurements, thus eliminating the introduction of systematic errors due to the inaccuracy of absolute nuclear data. The adapted methods are applied in channel 15 of the Thetis reactor (Gent). Research Associate of the “Nationaal Fonds voor Wetenschappelijk Onderzoek”     

Synthesis and antimicrobial activity of new functionalized derivatives of [1,2,4]triazolo[4,3‐a]pyrimidin‐5(1H)‐one

New functionalized 1,7‐diaryl‐6‐cyano‐1,2,4‐triazolo[4,3‐a]pyrimidin‐5(1H)‐one derivatives ( 5a–j ) were synthesized via reaction of 5‐cyano‐6‐phenyl‐2‐thiouracil 1 with the respective hydrazonoyl halides 2a–j and their biological activity was evaluated. The mechanism and the regioselectivity of the studied reactions are discussed. © 2007 Wiley Periodicals, Inc. Heteroatom Chem 18:393–398, 2007; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20311     

A scenario-based stochastic model for supplier selection in global context with multiple buyers,currency fluctuation uncertainties,and price discounts

Suppliers network in the global context under price discounts and uncertain fluctuations of currency exchange rates have become critical in today’s world economy. We study the problem of suppliers’ selection in the presence of uncertain fluctuations of currency exchange rates and price discounts. We specifically consider a buyer with multiple sites sourcing a product from heterogeneous suppliers and address both the supplier selection and purchased quantity decision. Suppliers are located worldwide and pricing is offered in suppliers’ local currencies. Exchange rates from the local currencies of suppliers to the standard currency of the buyer are subject to uncertain fluctuations overtime. In addition, suppliers offer discounts as a function of the total quantity bought by the different customer’ sites over the time horizon irrespective of the quantity purchased by each site.