RAPTA complexes containing N‐substituted Tetrazole scaffolds: Synthesis,characterization and Antiproliferative activity

This work describes the synthesis of a series of Ru(II)‐Arene (Arene=p‐cymene, benzene) complexes using different N‐substituted tetrazole ligands and their PTA analogues. All the complexes have been characterized thoroughly using different analytical techniques. Antiproliferative activity of the synthesized complexes against different cell lines indicates remarkable activity of certain complexes up to nanomolar level. In few cases introduction of water soluble PTA (PTA = 1,3,5‐ triaza‐7‐phospha‐tricyclo‐[3.3.1.1]decane) ligand induce significant cytotoxic activity in the ruthenium complex with respect to their chloro analogues, particularly against Jurkat and MCF‐7 cell lines. Interaction with different biomolecules and stability of the RAPTA complexes have been explored in pseudo‐pharmacological conditions.     

Lumped parameter analytic modeling and behavioral simulation of a 3-DOF MEMS gyro-accelerometer

A new analytical model of a 3-degree-of-freedom(3-DOF) gyro-accelerometer system consisting of a 1-DOF drive and 2-DOF sense modes is presented. The model constructs lumped differential equations associated with each DOF of the system by vector analysis. The coupled differential equations thus established are solved analytically for their responses in both the time and frequency domains. Considering these frequency response equations, novel device design concepts are derived by forcing the sense phase to zero, which leads to a certain relationship between the structural frequencies, thereby causing minimization of the damping effect on the performance of the system. Furthermore, the feasibility of the present gyro-accelerometer structure is studied using a unique discriminatory scheme for the detection of both gyro action and linear acceleration at their events. This scheme combines the formulated settled transient solution of the gyro-accelerometer with the processes of synchronous demodulation and filtration, which leads to the in-phase and quadrature components of the system's output signal. These two components can be utilized in the detection of angular motion and linear acceleration. The obtained analytical results are validated by simulation in a MATLAB/Simulink environment, and it is found that the results are in excellent agreement with each other.     

Quasi-one dimensional electrical conductivity and thermoelectric power studies on a discotic liquid crystal

We have studied the electrical conductivity of well aligned samples of hexahexylthiotriphenylene (HHTT) in the pure as well as doped states. The dopant used was a small concentration (0.62 mole %) of the electron acceptor trinitrofluorenone (TNF). In the columnar phases, doping causes the AC(1 kHz) conductivity along the columnar axis (σ _‖) to increase by a factor of 10⁷ or more relative to that in undoped samples; σ _‖ attains a value of 10⁻²S/m, which was the maximum measurable limit of our experimental set up. On the other hand, in the isotropic phase doping makes hardly any difference to the conductivity. The frequency dependence of the conductivity has been investigated. The DC conductivity of doped samples exhibits an enormous anisotropy, σ _‖/σ _⊥ ≥ 10¹⁰, which is 7 orders higher than that reported for any liquid crystalline system, and, to our knowledge, the largest observed in an organic conductor. We also report the first thermoelectric power studies on these ‘molecular wires’. The sign of the thermoelectric power is in conformity with the expected nature of the charge carriers, namely, holes.     

Quantification of Quetiapine in Human Plasma by LC–MS–MS

A rapid liquid chromatographic method with electrospray ionization tandem mass spectrometric detection has been developed and validated for quantification of quetiapine in heparinized human plasma. Plasma samples, without a drying and reconstitution step, were extracted by solid-phase extraction and eluted with acetonitrile. The analyte and zolpidem tartrate (internal standard, IS) were chromatographed on a C₁₈ column; the mobile phase was 85:15 (v/v) acetonitrile–5 mM ammonium formate, pH adjusted to 4.5 with formic acid, at a flow rate of 0.5 mL min⁻¹. The retention times of quetiapine and the IS were 1.25 and 1.05 min, respectively, and the run time was 1.8 min per sample. Selected reaction monitoring of MH⁺ at m/z 384.12 and 308.11 resulted in stable fragment ions with m/z 253.02 and 235.09 for quetiapine and the IS, respectively. Response was a linear function of concentration in the range 1.0–240.0 ng mL⁻¹, with r ≥ 0.9994. Recovery of quetiapine and the IS ranged from 74.82 to 85.57%. The assay has excellent characteristics and has been successfully used for analysis of quetiapine in healthy human subjects in a bioequivalence study.

     

A simple and linear time randomized algorithm for computing sparse spanners in weighted graphs

Let G = (V,E) be an undirected weighted graph on |V | = n vertices and |E| = m edges. A t‐spanner of the graph G, for any t ≥ 1, is a subgraph (V,E_S), E_S ⊆ E, such that the distance between any pair of vertices in the subgraph is at most t times the distance between them in the graph G. Computing a t‐spanner of minimum size (number of edges) has been a widely studied and well‐motivated problem in computer science. In this paper we present the first linear time randomized algorithm that computes a t‐spanner of a given weighted graph. Moreover, the size of the t‐spanner computed essentially matches the worst case lower bound implied by a 43‐year old girth lower bound conjecture made independently by Erdős, Bollobás, and Bondy & Simonovits. Our algorithm uses a novel clustering approach that avoids any distance computation altogether. This feature is somewhat surprising since all the previously existing algorithms employ computation of some sort of local or global distance information, which involves growing either breadth first search trees up to θ(t)‐levels or full shortest path trees on a large fraction of vertices. The truly local approach of our algorithm also leads to equally simple and efficient algorithms for computing spanners in other important computational environments like distributed, parallel, and external memory. © 2006 Wiley Periodicals, Inc. Random Struct. Alg., 2007     

Well-Defined Ni(0) and Ni(II) Complexes of Bicyclic (Alkyl)(Amino)Carbene (MeBICAAC): Catalytic Activity and Mechanistic Insights in Negishi Cross-Coupling Reaction

Negishi cross-coupling reaction of organozinc compounds as nucleophiles with aryl halides has drawn immense focus for C−C bond formation reactions. In comparison to the well-established library of Pd complexes, the C−C cross-coupling of this particular approach is largely primitive with nickel-complexes. Herein, we describe the syntheses of Ni(II) complexes, [(^MeBICAAC)₂NiX₂] (X=Cl ( 1 ), Br ( 2 ), and I ( 3 )) by employing the bicyclic (alkyl)(amino)carbene (^MeBICAAC) ligand. The reduction of complexes 1 – 3 using KC₈ afforded the two coordinate low valent, Ni(0) complex, [(^MeBICAAC)₂Ni(0)] ( 4 ). Complexes 1 – 4 have been characterized by spectroscopic techniques and their solid-state structures were also confirmed by X-ray crystallography. Furthermore, complexes 1 – 4 have been applied in a direct and convenient method to catalyze the Negishi cross-coupling reaction of various aryl halides with 2,6-difluorophenylzinc bromide or phenylzinc bromide as the coupling partner in the presence of 3 mol % catalyst. Comparatively, among all-pristine complexes, 1 exhibit high catalytic potential to afford value-added C−C coupled products without the use of any additive. The UV-vis studies and HRMS measurements of controlled stochiometric reactions vindicate the involvement of Ni(I)−NI(III) cycle featured with a penta-coordinated Ni(III)-aryl species as the key intermediate for 1 whereas Ni(0)/Ni(II) species are potentially involved in the catalytic cycle of 4 .     

Synthesis of novel pyrazole‐based triazolidin‐3‐one derivatives by using ZnO/ZrO2 as a reusable catalyst under green conditions

An efficient approach for the synthesis of 10 novel pyrazole‐based 1,2,4‐triazolidin‐3‐one derivatives catalyzed by ZnO‐loaded ZrO₂ as heterogeneous catalyst with ethanol as solvent is described. The structure of the mixed metal oxide catalyst was characterized by various instrumental techniques (scanning electron microscopy, transmission electron microscopy, X‐ray diffraction and Brunauer–Emmett–Teller). In smooth reactions, products were accomplished in excellent yields (90–94%) with short reaction times (≈ 45 min). ZnO/ZrO₂ catalyst exhibited good recyclability. The catalyst is reused six times without any noticeable loss of activity. The major advantages of this method are operational simplicity, mild conditions, simple work‐up procedure and broad functional group tolerance.     

Frequency domain approach for probabilistic flutter analysis using stochastic finite elements

Meccanica - In this work, a stochastic finite element method based on first order perturbation approach is developed for the probabilistic flutter analysis of aircraft wing in frequency domain....