Re-visiting of 5-[(E)-2-(aryl)-1-diazenyl]-quinolin-8-ol with tweaking of Sn-Ph groups: Synthesis, spectroscopic characterization and X-ray crystallography

Reactions of sodium 5-[(E)-2-(aryl)-1-diazenyl]quinolin-8-olates (LH, where the aryl group is an R-substituted phenyl ring such that for L¹H: R = H; L²H: R = 2′-CH₃; L³H: R = 3′-CH₃; L⁴H: R = 4′-CH₃; L⁵H: R = 4′-OCH₃ and L⁶H: R = 4′-OC₂H₅) with Ph₃SnCl in a 1:1 molar ratio yielded complexes of composition Ph₃SnL. The complexes have been characterized by ¹H, ¹³C, ¹¹⁹Sn NMR, IR and ^119mSn Mössbauer spectroscopic techniques in combination with elemental analyses. The crystal structures of Ph₃SnL¹ · 0.5C₆H₆ (1), Ph₃SnL² (2), Ph₃SnL⁵ · C₆H₆ (5) and Ph₃SnL⁶ · 0.5C₆H₆ (6) were determined. The results of the X-ray studies indicated that the benzene solvated compounds 1, 5 and 6 are distorted square pyramid, with one of the phenyl C atoms in the apex while the ligand arrangement around central Sn atom in 2 is distorted trigonal-bipyramidal, with a phenyl C and the oxinato N atoms in axial positions.     

Natural Sphingomonas glycolipids vary greatly in their ability to activate natural killer T cells

Mouse natural killer T (NKT) cells expressing an invariant T cell antigen receptor (TCR) recognize glycosphingolipids (GSLs) from Sphingomonas bacteria. The synthetic antigens previously tested, however, were designed to closely resemble the potent synthetic agonist alpha-galactosyl ceramide (alphaGalCer), which contains a monosaccharide and a C18:0 sphingosine lipid. Some Sphingomonas bacteria, however, also have oligosaccharide-containing GSLs, and they normally synthesize several GSLs with different sphingosine chains including one with a cyclopropyl ring-containing C21:0 (C21cycl) sphingosine. Here we studied the stimulation of NKT cells with synthetic GSL antigens containing natural tetrasaccharide sugars, or the C21cycl sphingosine. Our results indicate that there is a great degree of variability in the antigenic potency of different natural Sphingomonas glycolipids, with the C21cycl sphingosine having intermediate potency and the oligosaccharide-containing antigens exhibiting limited or no stimulatory capacity.     

Qualitative analysis of an integro-differential equation model of periodic chemotherapy

An existing model of tumor growth that accounts for cell cycle arrest and cell death induced by chemotherapy is extended to simulate the response to treatment of a tumor growing in vivo. The tumor is assumed to undergo logistic growth in the absence of therapy, and treatment is administered periodically rather than continuously. Necessary and sufficient conditions for the global stability of the cancer-free equilibrium are derived and conditions under which the system evolves to periodic solutions are determined.     

Machinability improvement in Inconel-718 by enhanced tribological and thermal environment using textured tool

Journal of Thermal Analysis and Calorimetry - Machinability of Inconel-718 superalloy in conventional approach is poor—this fact necessitates advanced technological adoption such as improved...     

First Dual Responsive “Turn-On” and “Ratiometric” AIEgen Probe for Selective Detection of Hydrazine Both in Solution and the Vapour Phase

A new dual responsive “turn-on” and “ratiometric” aggregation-induced emission luminogen (AIEgen) 3-formyl-5-(piperidin-1-yl)biphenyl-4-carbonitrile 6 a (FPBC 6 a ) for selective detection of hydrazine in solution as well as in vapour phase is described. At a low concentration of 2.5 μm , the probe FPBC 6 a is non-fluorescent (turn-off) but remarkably lights up (turn-on with blue emission) in the presence of hydrazine solution (0.25–25 μm ). Interestingly, at higher concentrations, the nanoaggregates of FPBC 6 a (>25 μm , 99 % HEPES in DMSO) displayed ratiometric response in the presence of hydrazine with a remarkable hypsochromic shift from the green (500–550 nm) to blue regions (440–480 nm). Furthermore, a real application of FPBC 6 a was successfully demonstrated through the detection and visualization of hydrazine in live cervical cancer cells as well as using portable test strips.     

Effect of foundation nonlinearity on the nonlinear transient response of orthotropic shallow spherical shells

Summary Interaction of clamped orthotropic shallow spherical shells with nonlinear elastic foundations is studied under transient loads. The effect of softening and hardening foundation nonlinearities on the response behaviour of shallow shells has been investigated. Detailed analysis depicting the influence of hardening type foundation nonlinearity on the maximum response of orthotropic shallow spherical shells has been conducted. The numerical results suggest that for the shell-foundation interaction problems undergoing moderately large deformations, the nonlinear model for the foundation must be considered.

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Einfluß der Bettungsnichtlinearität auf die nichtlineare transiente Antwort von orthotropen, leicht gekrümmten Schalen

übersicht Es wird die Wechselwirkung eingespannter orthotroper, leicht gekrümmter Schalen mit nichtnichtlinearer elastischer Bettung unter transienter Belastung behandelt. Dabei wird der Einfluß der erweichenden und der verfestigenden Nichtlinearität der Bettung auf das Antwortverhalten der schwach gekrümmten Schalen untersucht. Speziell wird der Einfluß der verfestigenden Bettungsnichtlinearität auf extreme Antwortverhalten von orthotropen, schwach sphärischen Schalen im einzelnen analysiert. Die numerischen Ergebnisse machen deutlich, daß bei Wechselwirkungsproblemen von Schale und Bettung mit mäßig großen Deformationen das nichtlineare Modell der Einbettung betrachtet werden muß.

     

Stability and dynamic analysis of partially cracked thin orthotropic microplates under thermal environment: an analytical approach

Abstract

An analytical model is proposed to analyze the vibration and buckling problem of partially cracked thin orthotropic microplate in the presence of thermal environment. The differential governing equation for the cracked plate is derived using the classical plate theory in conjunction with the strain gradient theory of elasticity. The crack is modeled using appropriate crack compliance coefficients based on the simplified line spring model. The influence of thermal environment is incorporated in governing equation in form thermal moments and in-plane compressive forces. The governing equation for cracked plate has been solved analytically to get fundamental frequency and central deflection of plate. To demonstrate the accuracy of the present model, few comparison studies are carried out with the published literature. The stability and dynamic characteristics of the cracked plate are studied considering various parameters such as crack length, plate thickness, change in temperature, and internal length scale of microstructure. It has been concluded that the frequency and deflection are affected by crack length, temperature, and internal length scale of microstructure. Furthermore, to study the buckling behavior of cracked plate, the classical relations for critical buckling load and critical buckling temperature is also proposed considering the effect of crack length, temperature, and internal length scale of microstructure.     

Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose

We introduce the QuanSA method for inducing physically meaningful field-based models of ligand binding pockets based on structure-activity data alone. The method is closely related to the QMOD approach, substituting a learned scoring field for a pocket constructed of molecular fragments. The problem of mutual ligand alignment is addressed in a general way, and optimal model parameters and ligand poses are identified through multiple-instance machine learning. We provide algorithmic details along with performance results on sixteen structure-activity data sets covering many pharmaceutically relevant targets. In particular, we show how models initially induced from small data sets can extrapolatively identify potent new ligands with novel underlying scaffolds with very high specificity. Further, we show that combining predictions from QuanSA models with those from physics-based simulation approaches is synergistic. QuanSA predictions yield binding affinities, explicit estimates of ligand strain, associated ligand pose families, and estimates of structural novelty and confidence. The method is applicable for fine-grained lead optimization as well as potent new lead identification.