Toward a diagnostic toolkit for linear models with Gaussian-process distributed random effects

Gaussian processes (GPs) are widely used as distributions of random effects in linear mixed models, which are fit using the restricted likelihood or the closely-related Bayesian analysis. This article addresses two problems. First, we propose tools for understanding how data determine estimates in these models, using a spectral basis approximation to the GP under which the restricted likelihood is formally identical to the likelihood for a gamma-errors GLM with identity link. Second, to examine the data's support for a covariate and to understand how adding that covariate moves variation in the outcome y out of the GP and error parts of the fit, we apply a linear-model diagnostic, the added variable plot (AVP), both to the original observations and to projections of the data onto the spectral basis functions. The spectral- and observation-domain AVPs estimate the same coefficient for a covariate but emphasize low- and high-frequency data features respectively and thus highlight the covariate's effect on the GP and error parts of the fit respectively. The spectral approximation applies to data observed on a regular grid; for data observed at irregular locations, we propose smoothing the data to a grid before applying our methods. The methods are illustrated using the forest-biomass data of Finley et al.~(2008)

Synthesis of Polynuclear Heteroaromatics Using Green Chemistry Protocols and their Bio-Evaluation

The work embodied in this thesis describes the facile synthesis of nitrogen containing heterocyclic compounds through facile and environment friendly protocol and evaluation of their bioactive potential. Chapter I includes a brief discussion on the development of spermicides from different natural and synthetic sources. The review is a compilation of the promising molecules and even extracts, and includes an outline of the basic physiology behind the bioactivity. Chapter II describes the facile one-pot green methodology to synthesize a series of quinoline derivatives starting from 8-OH-quinoline using di-bromo alkanes as reactant. The synthesized compounds were assessed for their sperm-immobilizing as well as microbicidal activities by various standardized assays. Mode of actions was also investigated by electron microscopic imaging and biochemical assays. Chapter III illustrates the synthesis of 7-Aryl substituted furo[3,2-h]quinoliniums from 5-chloro-8-hydroxy-7-iodo-quinoline in two steps through a tandem Sonogashira alkynylation-cyclization pathway using aryl acetylenes, followed by quaternisation reaction with alkyl halides under microwave irradiation. These compounds too have been screened and investigated for spermicidal activity.Chapter IV narrates the Friedel-Crafts reaction of differently substituted anilines with ninhydrin in presence of molecular iodine at ambient temperature, constituting a facile, cost effective, and regioselective synthesis of a series of 2-mono/2,2-bis-(amino-phenyl)-indane-1,3-dione derivatives. These compounds were screened for Microbicidal activities against quite a few number of bacterial and fungal strains

Synthesis and Characterization of Furo[3,2-h]Quinoliniums as Potent Non-Detergent Spermicides

7-Aryl substituted furo[3,2-h]quinoliniums have been synthesised in two steps from 5-chloro-8-hydroxy-7- iodo-quinoline through a tandem Sonogashira alkynylation-cyclization pathway using aryl acetylenes followed by quaternisation reaction with alkyl halides under microwave irradiation. The compounds have been characterized spectroscopically and assessed for their sperm-immobilizing efficacy in vitro by modified Sander–Cramer test. Most of the derivatives showed potent spermicidal effect with minimum effective concentration (MEC) ranging from 125�g/ml – 1mg/ml. The results were further confirmed by double fluoroprobe staining with syber14/PI (Propidium Iodide). The mode of spermicidal action was assessed by (a) Hypo-osmotic swelling tests and (b) Scanning electron microscopy. The compounds have been found to be nontoxic to lactobacillus in 36 hours of culture whereas mild to moderately effective on common vaginal pathogens. Taken together it can be inferred that the water-soluble salts prepared from facile technique are potential candidates for spermicides and could further be utilized for the preparation of vaginal contraceptives

Efficient Synthesis of Novel Tetrahydropyrrolo[30,40:3,4]Pyrrolo[2,1-a] Isoquinoline Derivatives via a Simple and Convenient MCR in Aqueous Micellar System

A simple and efficient one-pot three component synthesis of tetrahydropyrrolo[30,40:3,4]pyrrolo[2,1- a]isoquinoline-9,11-dione derivatives has been achieved from variously substituted isoquinolines, 2- bromo acetophenone and N-aryl maleimide derivatives in an aqueous micellar medium. The synthesis represents an environmentally benign alternative to classical method

Novel Route for the Synthesis of Structurally Diverse Pyrrolo[2,1-a]Isoquinoline in Aqueous Micellar Medium

A high yielding environmentally benign protocol has been developed for the synthesis of pyrrolo[2,1- a]isoquinoline using chromone-3-carboxaldehyde, isoquinoline and phenacyl bromide/bromoacetic acid ester as reagents in aqueous micellar medium. The method is operationally simple and more effective compared to the previous methods in terms of the yield of the products as well as the reaction time

Copper–phenanthroline catalysts for regioselective synthesis of pyrrolo[3′,4′:3,4]pyrrolo[1,2 a]furoquinolines/ phenanthrolines and of pyrrolo[1,2-a]phenanthrolines under mild conditions

A new series of pyrrolo[3′,4′:3,4]pyrrolo[1,2-a]furoquinolines/phenanthrolines and pyrrolo[1,2-a]phenanthrolines were efficiently built up from an 8-hydroxyquinoline derivative or phenanthroline via 1,3-dipolar cycloaddition reaction involving non-stabilized azomethine ylides, generated in situ from the parent furo[3,2-h]quinoliniums/phenanthroliums, in presence of a copper(II) chloride–phenanthroline catalytic system. The methodology combines general applicability with high yields

Amberlite IRA 402(OH): An Efficient Mediator for the Exclusive Synthesis of Fused Tricyclic Oxaza Quinolinium Salts

A high yielding green protocol for the synthesis of tricyclic oxaza quinolinium salts has been developed using Amberlite IRA 402(OH) in water. This method is more effective compared to previously reported phase-transfer catalytic (PTC) condition in terms of yield of the product, reaction time and ease of separation

Synthesis and in Vitro Study of Antibacterial, Antifungal Activities of some Novel Bisquinolines

Efficient syntheses of a series of novel bisquinolines have been accomplished from8-hydroxy quinolines under phase transfer catalyzed conditions using tetrabutylamoniumbromide as phase transfer catalyst. In vitro antibacterial and antifungal study of the synthesized analogues revealed six of them to show significant antibacterial and four to show significant antifungal activity. Among them 3c and 6c show most significant antibacterial activities with minimum inhibitory concentration value 32 lg/mL against four bacterial strains. Ultra structural studies of the microbes treated with 6c demonstrated deformation of cell wall and cell agglomeration. The bisquinolines exhibiting bacteriostatic or fungistatic activity may be developed as newer antimicrobial agents