Oscillator Representation for Pseudoharmonic Potential

Oscillator representation method is applied to obtain the bound state energy eigenvalues and the corresponding eigenfunctions of the n-dimensional Schrödinger equation for the pseudoharmonic potential with arbitrary angular momentum.     

Preparation and application of a polythiophene solid‐phase microextraction fiber for the determination of endocrine‐disruptor pesticides in well waters

A robust solid‐phase microextraction fiber was fabricated by electropolymerization of thiophene on a stainless steel wire. This fiber was applied for the determination of endocrine‐disruptor pesticides, namely, chlorpyrifos, penconazole, procymidone, bromopropylate, and λ‐cyhalothrin in well waters by a headspace solid‐phase microextraction procedure. Operational parameters, namely, pH, sample volume, adsorption temperature and time, desorption temperature, stirring rate, and salt amount were optimized as 7.0, 8 mL, 70°C and 20 min, 250°C, 600 rpm, and 0.3 g/mL, respectively. The separation power of GC was coupled with the excellent sensitivity of the developed fiber enabling us to determine pesticide mixtures simultaneously in a ng/mL range. The LOD was in the range of 0.02–0.64 ng/mL. The method was successfully applied for the selective and sensitive determination of target pesticides in well water samples with acceptable recovery values (92–110%). The polythiophene fiber gives satisfactory results compared with commercial fibers. Commonly used pesticides with different polarities were chosen as representative compounds to search the applicability of the fiber for well water analysis collected from vineyards.     

Minimization of the Truncation Error by Grid Adaptation

A new grid adaptation strategy, which minimizes the truncation error of a pth-order finite difference approximation, is proposed. The main idea of the method is based on the observation that the global truncation error associated with discretization on nonuniform meshes can be minimized if the interior grid points are redistributed in an optimal sequence. The method does not explicitly require the truncation error estimate, and at the same time, it allows one to increase the design order of approximation globally by one, so that the same finite difference operator reveals superconvergence properties on the optimal grid. Another very important characteristic of the method is that if the differential operator and the metric coefficients are evaluated identically by some hybrid approximation, then the single optimal grid generator can be employed in the entire computational domain independently of points where the hybrid discretization switches from one approximation to another. Generalization of the present method to multiple dimensions is presented. Numerical calculations of several one-dimensional and one two-dimensional test examples demonstrate the performance of the method and corroborate the theoretical results.     

Central neurocytoma: proton MR spectroscopy and diffusion weighted MR imaging findings

Purpose

To present proton magnetic resonance spectroscopy and diffusion-weighted imaging (DWI) findings of central neurocytoma (CN).

Methods and Materials

Imaging findings of seven patients with the histopathological diagnosis of CN (five male and two female; age range, 21–28 years of age) were evaluated retrospectively. In addition to conventional magnetic resonance imaging features, we also assessed the metabolite ratios and tumor normalized apparent diffusion coefficient (NADC), which was calculated by dividing the tumor apparent diffusion coefficient (ADC) values by normal ADC. Approval from our institutional review board was obtained for this review.

Results

The tumor choline/creatine ratios were 5.17±2.38, while N-acetyl aspartate/choline and N-acetyl aspartate/creatine ratios were 0.33±0.15 and 1.84±1.38, respectively. On DWI, tumors had heterogeneous hyperintense appearances when compared with the contralateral parietal lobe white matter and tumor NADC values were 0.63±0.05.

Conclusion

Significantly increased choline/creatine and decreased N-acetyl aspartate/choline ratios with lower NADC values in CN resemble high-grade gliomas and complicate the diagnosis. Familarity its physiologic features would help to presurgical diagnosis of ventricular and exraventricular CNs.     

Foreword

Nonlinear Dynamics -     

Platinum(II) diimine complexes with catecholate ligands bearing imide electron-acceptor groups: synthesis, crystal structures, (spectro)electrochemical and EPR studies, and electronic structure

A series of catechols with attached imide functionality (imide = phthalimide PHT, 1,8-naphthalimide NAP, 1,4,5,8-naphthalenediimide NDI, and NAP-NDI) has been synthesized and coordinated to the Pt (II)(bpy*) moiety, yielding Pt(bpy*)(cat-imide) complexes (bpy* = 4,4'-di- tert-butyl-2,2'-bipyridine). X-ray crystal structures of PHT and NAP complexes show a distorted square-planar arrangement of ligands around the Pt center. Both complexes form "head-to-tail" dimers in the solid state through remarkably short unsupported Pt...Pt contacts of 3.208 (PHT) and 3.378 A (NAP). The Pt(bpy*)(cat-imide) complexes are shown to combine optical (absorption) and electrochemical properties of the catecholate (electron-donor) and imide (electron-acceptor) groups. The complexes show a series of reversible reduction processes in the range from -0.5 to -1.9 V vs Fc (+)/Fc, which are centered on either bpy* or imide groups, and a reversible oxidation process at +0.07 to +0.14 V, which is centered on the catecholate moiety. A combination of UV-vis absorption spectroscopy, cyclic voltammetry, UV-vis spectroelectrochemistry, and EPR spectroscopy has allowed assignment of the nature of frontier orbitals in Pt(bpy*)(cat-imide) complexes. The HOMO in Pt(bpy*)(cat-imide) is centered on the catechol ligand, while the LUMO is localized either on bpy* or on the imide group, depending on the nature of the imide group involved. Despite the variations in the nature of the LUMO, the lowest-detectable electronic transition in all Pt(bpy*)(cat-imide) complexes has predominantly ligand-to-ligand (catechol-to-diimine) charge-transfer nature (LLCT) and involves a bpy*-based unoccupied molecular orbital in all cases. The LLCT transition in all Pt(bpy*)(cat-imide) complexes appears at 530 nm in CH2Cl2 and is strongly negatively solvatochromic. The energy of this transition is remarkably insensitive to the imide group present, indicating lack of electronic communication between the imide and the catechol moieties within the cat-imide ligand. The high extinction coefficient, approximately 6 x 10(3) L mol(-1) cm(-1) of this predominantly LLCT transition is the result of the Pt orbital contribution, as revealed by EPR spectroscopy of the complexes in various redox states. The CV profile of the oxidation process of Pt(bpy*)(cat-imide) in CH2Cl2 and DMF is concentration dependent, as was shown for NDI and PHT complexes as typical examples. Oxidation appears as a simple diffusion-limited process at low concentrations, with an increasing anodic-to-cathodic peak separation eventually resolving as two independent consecutive waves as the concentration of the complex increases. It is suggested that aggregation of the complexes in the diffusion layer in the course of oxidation is responsible for the observed concentration dependence. Overall, the Pt(bpy*)(cat-imide) complexes are electrochromic compounds in which a series of stepwise reversible redox processes in the potential range from 0.2 to -2 V (vs Fc (+)/Fc) leads to tuneable absorbencies between 300 and 850 nm.     

Fast head-related transfer function measurement via reciprocity

An efficient method for head-related transfer function (HRTF) measurement is presented. By applying the acoustical principle of reciprocity, one can swap the speaker and the microphone positions in the traditional (direct) HRTF measurement setup, that is, insert a microspeaker into the subject's ear and position several microphones around the subject, enabling simultaneous HRTF acquisition at all microphone positions. The setup used for reciprocal HRTF measurement is described, and the obtained HRTFs are compared with the analytical solution for a sound-hard sphere and with KEMAR manikin HRTF obtained by the direct method. The reciprocally measured sphere HRTF agrees well with the analytical solution. The reciprocally measured and the directly measured KEMAR HRTFs are not exactly identical but agree well in spectrum shape and feature positions. To evaluate if the observed differences are significant, an auditory localization model based on work by J. C. Middlebrooks [J. Acoust. Soc. Am. 92, 2607-2624 (1992)] was used to predict where a virtual sound source synthesized with the reciprocally measured HRTF would be localized if the directly measured HRTF were used for the localization. It was found that the predicted localization direction generally lies close to the measurement direction, indicating that the HRTFs obtained via the two methods are in good agreement.     

Sensitized near-infrared emission from complexes of YbIII, NdIII and ErIII by energy-transfer from covalently attached PtII-based antenna units

A series of dinuclear platinum(II)-lanthanide(iii) complexes has been prepared in which a square-planar Pt(II) unit, either [(PPh(3))(2)Pt(pdo)] (H(2)pdo=5,6-dihydroxyphenanthroline) or [Cl(2)Pt(dppz)] [dppz=2,3-bis(2-pyridyl)pyrazine], is connected to a Ln(dik)(3) unit ("dik"=a 1,3-diketonate ligand). The mononuclear complexes [(PPh(3))(2)Pt(pdo)] and [Cl(2)Pt(dppz)] both have external, vacant N,N-donor diimine-type binding sites that react with various [Ln(dik)(3)(H(2)O)(2)] units to give complexes [(PPh(3))(2)Pt(micro-pdo)Ln(tta)(3)] (series A; Htta=thenoyltrifluoroacetone), [Cl(2)Pt(micro-dppz)Ln(tta)(3)] (series B); and [Cl(2)Pt(micro-dppz)Ln(btfa)(3)] (series C; Hbtfa=benzoyltrifluoroacetone); in all of these the lanthanide centres are eight-coordinate. The lanthanides used exhibit near-infrared luminescence (Nd, Yb, Er). Crystal structures of members of each series are described. In all complexes, excitation into the Pt-centred absorption band (at 520 nm for series A complexes; 440 nm for series B and C complexes) results in characteristic near-IR luminescence from the Nd, Yb or Er centres in both the solid state and in CH(2)Cl(2), following energy-transfer from the Pt antenna chromophore. This work demonstrates how d-block-derived chromophores, with their intense and tunable electronic transitions, can be used as sensitisers to achieve near-infrared luminescence from lanthanides in suitably designed heterodinuclear complexes based on simple bridging ligands.     

Transient and First Passage Time Distributions of First- and Second-order Multi-regime Markov Fluid Queues via ME-fication

We propose a numerical method to obtain the transient and first passage time distributions of first- and second-order Multi-Regime Markov Fluid Queues (MRMFQ). The method relies on the observation that these transient measures can be computed via the stationary analysis of an auxiliary MRMFQ. This auxiliary MRMFQ is constructed from the original one, using sample path arguments, and has a larger cardinality stemming from the need to keep track of time. The conventional method to approximately model the deterministic time horizon is Erlangization. As an alternative, we propose the so-called ME-fication technique, in which a Concentrated Matrix Exponential (CME) distribution replaces the Erlang distribution for approximating deterministic time horizons. ME-fication results in much lower state-space dimensionalities for the auxiliary MRMFQ than would be with Erlangization. Numerical results are presented to validate the effectiveness of ME-fication along with the proposed numerical method.