A study of the interaction energy between a glycoluril molecular clip and dihydroxybenzenes or diaminobenzenes: a justification for easy separation by affinity chromatography

Theoretical calculations were performed to determine the interaction energy between a glycoluril (GL) molecular clip and hydroxybenzenes (HBs) and aminobenzenes (ABs). The theoretical calculations on the GL and its interactions were carried out using the hybrid functional closed-shell RB3LYP and the 6-31G* basis set, employing gaussian 03. The stability in energy of the guest inside the GL, ΔE_T(1), was in the following order: m-DHB-GL > o-DHB-GL > m-THB-GL > m-DAB-GL > o-THB-GL. The geometric parameters, in particular the bond lengths are discussed for the host molecule GL and guest molecules DHB and DAB and their parameters are compared with the host-guest molecules DHB-GL and DAB-GL, respectively.     

Solid phase extraction of antidepressant drugs amitriptyline and nortriptyline from plasma samples using core-shell nanoparticles of the type Fe3O4@ZrO2@N- cetylpyridinium,and their subsequent determination by HPLC with UV detection

The solid phase extraction (SPE) is described for preconcentration of the antidepressant drugs amitriptyline and nortriptyline prior to their determination by HPLC with UV detection. It is based on the use of water-dispersible core-shell nanoparticles (NPs) of the Fe₃O₄@ZrO₂@N-cetylpyridinium type. The positively charged surfactant N-cetylpyridinium forms mixed aggregates with the drugs on the surface of the core-shell and thereby improves the adsorption of amitriptyline and nortriptyline through hydrophobic and/or ionic interactions. Their extraction depends on the type and amount of surfactant, sample pH, extraction time, desorption conditions, sample volume and amount of NPs that were optimized by application of experimental design. The enrichment factors are 220 and 250, respectively, for amitriptyline and nortriptyline, and the detection limits are 0.04 and 0.08 ng·mL‾¹. This protocol enables accurate and precise quantification of the two drugs in complex and low content samples. It was applied to the determination of the two drugs in plasma samples with relative recoveries in the range from 89 to 105 % and RSDs less than 4 %.

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Optimization of carrier-mediated three-phase hollow fiber microextraction combined with HPLC-UV for determination of propylthiouracil in biological samples

Carrier-mediated three-phase hollow fiber microextraction combined with high-performance liquid chromatography-ultra violet detection (HPLC-UV) was applied for the extraction and determination of propylthiouracil in biological samples. Propylthiouracil (PTU) was extracted from 7.5 mL of the basic solution (the source phase) with pH 12 into an organic phase (n-octanol containing 6% (w/v) of Aliquat 336 as the carrier) impregnated in the pores of a hollow fiber, and finally was back extracted into 24 μL of the acidic solution located inside the lumen of the hollow fiber (the receiving phase). The extraction was performed through the gradient of counter ion from the source to the receiving phase. The effects of different variables on the extraction efficiency were studied simultaneously using an experimental design. A half-fractional factorial design was employed for screening to determine the variables significantly affecting the extraction efficiency. Then, the factors with significant effect were optimized using a central composite design (CCD) and the response surface equations were developed. The optimal experimental conditions obtained from this statistical evaluation included: source phase, pH 12; temperature, 25 °C; extraction time, 40 min; counter ion concentration, 2 mol L⁻¹ of NaClO₄; organic solvent 6% of Aliquat in octanol and without salt addition in the source phase. Under the optimized conditions, the preconcentration factors were between 125 and 198 and also the limit of detections (LODs) ranged from 0.1 μg L⁻¹ to 0.4 μg L⁻¹ in different biological samples. The calibration curve was linear (r² = 0.998) in the concentration range of 0.5-1000 μg L⁻¹. Finally, the feasibility of the proposed method was successfully confirmed by extraction and determination of PTU in human plasma and urine as well as the bovine milk and meat samples in microgram per liter, and suitable results were obtained (RSDs < 6.3%).     

On the existence of chaotic circumferential waves in spinning disks

We use a third-order perturbation theory and Melnikov's method to prove the existence of chaos in spinning circular disks subject to a lateral point load. We show that the emergence of transverse homoclinic and heteroclinic points lead, respectively, to a random reversal in the traveling direction of circumferential waves and a random phase shift of magnitude pi for both forward and backward wave components. These long-term phenomena occur in imperfect low-speed disks sufficiently far from fundamental resonances.     

On the fractional derivatives of radial basis functions: Theories and applications

The paper provides the fractional integrals and derivatives of the Riemann‐Liouville and Caputo type for the five kinds of radial basis functions, including the Powers, Gaussian, Multiquadric, Matérn, and Thin‐plate splines, in one dimension. It allows to use high‐order numerical methods for solving fractional differential equations. The results are tested by solving two test problems. The first test case focuses on the discretization of the fractional differential operator while the second considers the solution of a fractional order differential equation.     

Monsterwellen aus Licht

Seit Jahrhunderten berichten Seefahrer von gigantischen Wellen, die scheinbar aus dem Nichts und ohne Vorwarnung auftauchen. Erst Mitte der 1990er‐Jahre hat sich die Erkenntnis durchgesetzt, dass es sie wirklich gibt und sie für eine größere Zahl katastrophaler Schiffsunglücke verantwortlich waren. In Experimenten an der University of California in Los Angeles haben wir vor kurzem überraschenderweise in Lichtleitfasern Monsterwellen aus Licht nachgewiesen. Ursache hierfür ist eine Nichtlinearität der Faser.     

Some results on Artinian cofinite top local cohomology modules

Let \((R,\mathfrak {m})\) be a Noetherian local ring, I be an ideal of R, and M be a finitely generated R-module such that \({\text {H}}_I^t(M)\) is Artinian and I-cofinite, where \(t={\text {cd}}\,(I,M)\). In this paper, we give some equivalent conditions for the property

$$\begin{aligned} {\text {Ann}}\,_R\left( 0:_{{\text {H}}_I^t (M)} \mathfrak {p}\right) =\mathfrak {p}~\text {for all prime ideals }~ \mathfrak {p}\supseteq {\text {Ann}}\,_R{\text {H}}_I^t(M).(*) \end{aligned}$$

Also, we show that if \({\text {H}}_I^t(M)\) satisfies the property \((*)\), then \({\text {H}}_I^t(M)\cong {\text {H}}_{\mathfrak {m}}^t(M/N)\) for some submodule N of M with \({\text {dim}}\,(M/N)=t\).

     

Enhancing electrooptic modulators using modulation instability

As electronic operating frequencies increase toward the terahertz regime, new electrooptic modulators capable of low‐voltage high‐frequency operation must be developed to provide the necessary optical interconnects. This Letter presents a new concept that exploits modulation instability to compensate for the intrinsically weak electrooptic effect, χ⁽²⁾. Simulations demonstrate more than 50 times enhancement of electrooptic effect at millimeter wave frequencies leading to a substantial reduction in the required modulation voltage.

     

Application of copper oxide–thermal oil (CuO-HTO) nanofluid on convective heat transfer enhancement in inclined circular tube

Journal of Thermal Analysis and Calorimetry - The influence of using copper oxide–thermal oil on convective heat transfer and pressure drop in an upward flow in an inclined smooth tube is...     

Development and application of SBA‐15 assisted electromembrane extraction followed by corona discharge ion mobility spectrometry for the determination of Thiabendazole in fruit juice samples

A new sample preparation method based on SBA‐15 assisted electromembrane extraction coupled with corona discharge ion mobility spectrometer was developed for the determination of Thiabendazole as a model basic pesticide in fruit juice samples. The addition of SBA‐15 in the supported liquid membrane in electromembrane extraction system not only can lead to enhancement of the effective surface area, but also introducing the negatively charged silanol groups into supported liquid membrane might improve migration of positively charged analytes toward the supported liquid membrane and finally into the acceptor solution. To investigate the effect of the presence of SBA‐15 in the supported liquid membrane on the extraction efficiency, a comparative study was carried out between the conventional electromembrane extraction and SBA‐15/electromembrane extraction methods. Under the optimized conditions, SBA‐15/electromembrane extraction method showed higher extraction efficiencies in comparison with conventional electromembrane extraction method. SBA‐15/electromembrane extraction method exhibited a low limit of detection (0.9 ng/mL), high preconcentration factor (167) and high recovery (83%). Finally, the applicability of SBA‐15/electromembrane extraction method was studied by the extraction and determination of Thiabendazole as a model basic pesticide in fruit juice samples.