Hydrophilic alginate based multidentate biopolymers for surface modification of CdS quantum dots

We report that sodium alginate and its graft-copolymers with (2-dimethylaminoethyl) methacrylate may attach to the surface of colloidal CdS-thioglycerol quantum dots (QDs) via a ligand exchange process and result in water-soluble and highly stable QD supramolecules. Optical properties of modified QDs in water showed that the emission intensity of QDs was still high after surface passivation.     

[C6(MIm)2]2W10O32. 2H2O: A novel and powerful catalyst for the synthesis of 4-arylidene-2-phenyl-5(4)-oxazolones under ultrasonic condition

Di[1,6-bis(3-methylimidazolium-1-yl)hexane] decatungstate dihydrate ([C₆(MIm)₂]₂W₁₀O₃₂. 2H₂O) as a new family of polyoxometalate-based dicationic ionic liquids (POM-DIL) is synthesized and employed as a novel and powerful heterogeneous catalyst in the synthesis of 4-arylidene-2-phenyl-5(4)-oxazolones (azlactones) under ultrasound-assisted solvent-free condition. On the basis of the results, the products were obtained in excellent yields under mild condition. Utilization of easy work-up and purification make it very interesting from an economic perspective. Moreover, a recycling study confirmed that the catalyst can be reused multiple times without significant loss of its activity.     

Statistically disordered short hydrogen bonds in (pipzH2)(cdoH)2 and a comparison with (pipzH2)(cdo)·H2O (pipz is piperazine and cdoH2 is chelidonic acid)

Two related proton‐transfer compounds, namely piperazine‐1,4‐diium 4‐oxo‐4H‐pyran‐2,6‐dicarboxylate monohydrate, C₄H₁₂N₂²⁺·C₇H₂O₆²⁻·H₂O or (pipzH₂)(cdo)·H₂O, (I), and piperazine‐1,4‐diium bis(6‐carboxy‐4‐oxo‐4H‐pyran‐2‐carboxylate), C₄H₁₂N₂²⁺·2C₇H₃O₆⁻ or (pipzH₂)(cdoH)₂, (II), were obtained by the reaction of 4‐oxo‐4H‐pyran‐2,6‐dicarboxylic acid (chelidonic acid, cdoH₂) and piperazine (pipz). In (I), both carboxyl H atoms of chelidonic acid have been transferred to piperazine to form the piperazine‐1,4‐diium ion. The structure is a monohydrate. All potential N—H donors are involved in N—H...O hydrogen bonds. The water molecule spans two anions via the 4‐oxo group of the pyranose ring and a carboxylate O atom. The hydrogen‐bonding motif is essentially two‐dimensional. The structure is a pseudomerohedral twin. In the asymmetric unit of (II), the anion consists of monodeprotonated chelidonic acid, while the piperazine‐1,4‐diium cation is located on an inversion centre. The single carboxyl H atom is disordered in two respects. Firstly, the disordered H atom is shared equally by both carboxylic acid groups. Secondly, the H atom is statistically disordered between two positions on either side of a centre of symmetry and is engaged in a very short hydrogen‐bonding interaction; the relevant O...O distances are 2.4549 (11) and 2.4395 (11) Å, and the O—H...O angles are 177 (6) and 177 (5)°, respectively. Further hydrogen bonding of the type N—H...O places the (pipzH₂)²⁺ cations in pockets formed by the chains of (cdoH)⁻ anions. In contrast with (I), the (pipzH₂)²⁺ cations form hydrogen‐bonding arrays that are perpendicular to the anions, yielding a three‐dimensional hydrogen‐bonding motif. The structures of both (I) and (II) also feature π–π stacking interactions between aromatic rings.     

Detection of fentanyl in binary mixtures with cocaine by use of surface-enhanced Raman spectroscopy

Abstract

The ongoing epidemic pertaining to overdose deaths has been attributed to the synthetic opioid fentanyl due to its use as an adulterant in other, less potent drugs of abuse. Detection of low quantities of fentanyl would, therefore, be extremely useful in a forensic science laboratory. While Raman spectroscopy is particularly effective at distinguishing between classes of drugs, weak signatures can prove difficult when dealing with microscopic samples. Surface-enhanced Raman scattering spectroscopy provides the enhancement necessary to make Raman a viable approach for the detection of small amounts of fentanyl. This work explores the use of a paper-based substrate loaded with silver nanoparticles for the recovery of small quantities of fentanyl in cocaine, where it was identified at a lower limit of 500?ng (～65?ppm) in mixtures. Linear relationships were investigated between intensity and concentration for diagnostic peaks associated with fentanyl and cocaine, which in turn sheds light on the attenuation of the enhancement intensity as a result of competitive binding to silver nanoparticles. This work demonstrates a potentially simple and qualitative pathway for the forensic analysis of fentanyl as an adulterant in cocaine.     

Studies on 3,5-diaminopyrazole derivatives

The behaviour of 3,5-diamino-4-phenylazopyrazole toward a variety of reagents is reported. Several new 3,5-diaminopyrazole derivatives as well as amino derivatives of fused pyrazoles have been prepared.

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Untersuchungen an 3,5-Diaminopyrazol-Derivaten

Zusammenfassung Es wird über das Verhalten von 3,5-Diamino-4-phenylazopyrazol gegenüber verschiedenen Agentien berichtet. Es wurden sowohl einige neue 3,5-Diaminooyrazol-Derivate als auch einige Aminoderivate von kondensierten Pyrazolen dargestellt.

     

An efficient Levenberg–Marquardt method with a new LM parameter for systems of nonlinear equations

A modified Levenberg–Marquardt method for solving singular systems of nonlinear equations was proposed by Fan [J Comput Appl Math. 2003;21;625–636]. Using trust region techniques, the global and quadratic convergence of the method were proved. In this paper, to improve this method, we decide to introduce a new Levenberg–Marquardt parameter while also incorporate a new nonmonotone technique to this method. The global and quadratic convergence of the new method is proved under the local error bound condition. Numerical results show the new algorithm is efficient and promising.     

Paranormal Elements in Normed Algebra

For a normed algebra A and natural numbers k we introduce and investigate the ∥ · ∥ closed classes P _k (A). We show that P₁(A) is a subset of P _k (A) for all k. If T in P₁(A), then Tⁿ lies in P₁(A) for all natural n. If A is unital, U, V ∈ A are such that ∥U∥ = ∥V∥ = 1, VU = I and T lies in P _k (A), then UTV lies in P _k (A) for all natural k. Let A be unital, then 1) if an element T in P₁(A) is right invertible, then any right inverse element T^?1 lies in P₁(A); 2) for ßßIßß = 1 the class P₁(A) consists of normaloid elements; 3) if the spectrum of an element T, T ∈ P₁(A) lies on the unit circle, then ∥TX∥ = ∥X∥ for all X ∈ A. If A = B(H), then the class P₁(A) coincides with the set of all paranormal operators on a Hilbert space H.     

A Diophantine duality applied to the KAM and Nekhoroshev theorems

In this paper, we use geometry of numbers to relate two dual Diophantine problems. This allows us to focus on simultaneous approximations rather than small linear forms. As a consequence, we develop a new approach to the perturbation theory for quasi-periodic solutions dealing only with periodic approximations and avoiding classical small divisors estimates. We obtain two results of stability, in the spirit of the KAM and Nekhoroshev theorems, in the model case of a perturbation of a constant vector field on the $n$ -dimensional torus. Our first result, which is a Nekhoroshev type theorem, is the construction of a “partial” normal form, that is a normal form with a small remainder whose size depends on the Diophantine properties of the vector. Then, assuming our vector satisfies the Bruno–Rüssmann condition, we construct an “inverted” normal form, recovering the classical KAM theorem of Kolmogorov, Arnold and Moser for constant vector fields on torus.     

Normal forms, stability and splitting of invariant manifolds II. Finitely differentiable Hamiltonians

This paper is a sequel to “Normal forms, stability and splitting of invariant manifolds I. Gevrey Hamiltonians”, in which we gave a new construction of resonant normal forms with an exponentially small remainder for near-integrableGevrey Hamiltonians at a quasiperiodic frequency, using a method of periodic approximations. In this second part we focus on finitely differentiable Hamiltonians, and we derive normal forms with a polynomially small remainder. As applications, we obtain a polynomially large upper bound on the stability time for the evolution of the action variables and a polynomially small upper bound on the splitting of invariant manifolds for hyperbolic tori.     

New Composite Sorbent for Removal of Sulfate Ions from Simulated and Real Groundwater in the Batch and Continuous Tests

The evaluation of groundwater quality in the Dammam formation, Faddak farm, Karbala Governorate, Iraq proved that the sulfate (SO₄²⁻) concentrations have high values; so, this water is not suitable for livestock, poultry and irrigation purposes. For reclamation of this water, manufacturing of new sorbent for permeable reactive barrier was required through precipitation of Mg and Fe hydroxides nanoparticles on the activated carbon (AC) surface with best Mg/Fe molar ratio of 7.5/2.5. Mixture of 50% coated AC and 50% scrap iron was applied to eliminate SO₄²⁻ from contaminated water with efficiency of 59% and maximum capacity of adsorption equals to 9.5 mg/g for a time period of 1 h, sorbent dosage 40 g/L, and initial pH = 5 at 50 mg/L initial SO₄²⁻ concentration and 200 rpm shaking speed. Characterization analyses certified that the plantation of Mg and Fe nanoparticles onto AC was achieved. Continuous tests showed that the longevity of composite sorbent is increased with thicker bed and lower influent concentration and flow rate. Computer solution (COMSOL) software was well simulated for continuous measurements. The reclamation of real contaminated groundwater was achieved in column set-up with efficiency of 70% when flow rate was 5 mL/min, bed depth was 50 cm and inlet SO₄²⁻ concentration was 2301 mg/L.