Exploration of spectroscopic, computational, fluorescence turn-off mechanism, molecular docking and in silico studies of pyridine derivative.

The present work reports pyridine-based chalones using spectroscopic techniques to use pyridine derivative analysis. The solvatochromic behavior of 3DPP in non-polar, polar protic and aprotic solvents has been investigated experimentally. The photophysical property of the compound in diverse solvents is attributed to the intra-molecular charge transfer interactions.

Investigation of the Fluorescence Turn-off Mechanism, Genome, Molecular Docking and Studies of 2-Acetyl-3-benzo[]chromen-3-one.

The present study harnesses fluorescence quenching between a nonfluorescent aniline and fluorophore 2-acetyl-3-benzo[]chromen-3-one [2AHBC] in binary solvent mixtures of acetonitrile and 1,4-dioxane at room temperature and explores the fluorophore as an antimicrobial material. Our findings throw light on the key performance of organic molecules in the medicinal and pharmaceutical fields, which are considered as the most leading drives in therapeutic applications. In view of that, fluorescence quenching data have been interpreted by various quenching models.

Effect of fluorescence quenching model on quinoline derivative with cobalt chloride metal ion using steady state and time resolved spectroscopic methods.

Quinoline derivative, i.e. quinilone yellow with the scientific name [sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-6,8-disulphonate] (SQDS) is analysed for fluorescence resonance energy transfer (FRET).

Synthesis, Structural Characterizations, and Quantum Chemical Investigations on 1-(3-Methoxy-phenyl)-3-naphthalen-1-yl-propenone.

In the present study, 1-(3-methoxy-phenyl)-3-naphthalen-1-yl-propenone (MPNP) is synthesized and characterized by several experimental techniques such as Fourier transform-infrared spectroscopy (FT-IR), FT-Raman, NMR and UV-vis spectral methods. The similar techniques are also investigated by the computational method using Gaussian software. The density functional theory (DFT) method is used to obtain the optimized structure using the B3LYP/6-311++G(d,p) basis set.

Performance indicators for the optimal BTE of biodiesels with additives through engine testing by the Taguchi approach.

Biodiesel commercialization is questionable due to poor brake thermal efficiency. Biodiesel utilization should be improved with the addition of fuel additives. Hydrogen peroxide is a potential fuel additive due to extra hydrogen and oxygen content, which improves the combustion process.

Investigation of Mechanical and Physical Properties of Big Sheep Horn as an Alternative Biomaterial for Structural Applications.

This paper investigates the physical and mechanical properties of bighorns of Deccani breed sheep native from Karnataka, India. The exhaustive work comprises two cases. First, rehydrated (wet) and ambient (dry) conditions, and second, the horn coupons were selected for longitudinal and lateral (transverse) directions.

Analysis of Fluorescence Quenching of Coumarin Derivative under Steady State and Transient State Methods.

Nature has gifted us many organic molecules which have remarkable influence in our daily life. Amongst many organic molecules, heterocyclic organic molecules have gained potential applications in the advanced field of biomedicine, pharmaceutical, electronics and many more. In the present work fluorescence quenching of biologically active fluorescent probe 8EMOHCC by aniline in different solvents have been studied at room temperature.

Molecular modeling approach to identify inhibitors of Rv2004c (rough morphology and virulent strain gene), a DosR (dormancy survival regulator) regulon protein from .

Being a part of dormancy survival regulator (DosR) regulon, Rv2004c (rough morphology and virulent strain gene) has been identified in earlier experimental studies as an indispensable protein required for the growth and survival of . This protein was predicted to have a role in inhibition of phospholipase A2 activity related to immuno-defence and other membrane-related events. Thus, considering significance of Rv2004c protein, a structure-based drug designing strategy was followed to identify potential inhibitors to this novel target.

Investigation of interaction between boronic acids and sugar: effect of structural change of sugars on binding affinity using steady state and time resolved fluorescence spectroscopy and molecular docking.

Binding interactions of boronic acid derivatives viz. 2-Methylphenylboronic acid (B1) and 3-Methoxyphenylboronic acid (B2) with mono saccharides (arabinose, fructose and galactose) and disaccharides (sucrose, lactose and maltose) in aqueous condition at pH 7.4 by means of fluorescence spectroscopy is reported in the present investigation.

Study of diesel engine characteristics by adding nanosized zinc oxide and diethyl ether additives in Mahua biodiesel-diesel fuel blend.

This study deals with an experimental investigation to assess the characteristics of a modified common rail direct injection (CRDI) engine utilizing diesel, Mahua biodiesel, and their blends with synthesized zinc oxide (ZnO) nano additives. The physicochemical properties of diesel, diesel + 30 ppm ZnO nanoparticles (D10030), 20% Mahua biodiesel (MOME20), and Mahua biodiesel (20%) + 30 ppm ZnO nanoparticles (MOME2030) were measured in accordance to the American Society for Testing and Materials standards. The effects of modification of fuel injectors (FI) holes (7-hole FI) and toroidal reentrant combustion chamber (TRCC) piston bowl design on the performance of CRDI using different fuel blends were assessed.

Design, expression, and evaluation of novel multiepitope chimeric antigen of Wuchereria bancrofti for the diagnosis of lymphatic filariasis - A structure-based strategy.

The Global Program for Elimination Lymphatic Filariasis (GPELF) is in an advanced stage and requires tools for diagnosing infection, assessing transmission and certification. This study was aimed at developing an antibody-based assay using a chiemric antigen containing multi-B-cell epitopes from antigens highly expressed in different stages of Wuchereria bancrofti to detect LF infection and its transmission. The antigen was express cloned and two indirect ELISA based (IgG1 & IgG4 based) antibody assays were developed using the recombinant antigen.

Preparation and optical parameter characterization of two aldehyde derivative thin films for photonic applications by drop casting method.

In this study, thin films of polymer poly(methyl methacrylate) were prepared using a drop casting method. Two newly synthesized aldehyde derivatives, 2-bromomalonaldehyde and 5,6-dihydroimidazo[2,1-b]thiazole-2-carbaldehyde, were used at different concentrations to dope the films. The prepared films were transparent and therefore studied for application in photonics.

Structural, molecular, functional and immunological characterization of Wuchereria bancrofti-galectin.

Galectins regulate growth and differentiation of immune cells and inflammation through their carbohydrate-binding function in humans, while also play a role in parasite survival. This study focused on the galectin of lymphatic filarial parasite Wuchereria bancrofti (Wb-Gal). The multiple sequence alignment with other galectins showed that the Wb-Gal belonged to galactoside binding lectin family, particularly tandem repeat type galectin-9.

Charge transfer-induced enhancement of a Raman signal in a hybrid Ag-GaN nanostructure.

A hybrid system consisting of Ag nanoparticles dispersed onto a GaN nanowall network (GaN NWN) exhibited characteristic optical properties and electronic band structure. Surface-sensitive XPS studies of this high-surface-area system revealed the presence of a high surface charge carrier concentration due to dangling bonds, which resulted in a high metal-like surface conductivity. The low coverage of absorbed Ag led to the nanocluster formation, facilitating charge transfer from GaN to Ag, and thereby further increasing the surface charge carriers.

Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approach.

This paper reports the synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione (5MBOT) and characterization by FT-IR, FT-Raman, H NMR, C NMR and UV spectral studies. The density functional theory (DFT) calculations have been executed for the 5MBOT using B3LYP/6-31++G (d, p) basis set. The fundamental modes of the vibrations were designated by the potential energy distribution (PED), and the computed and experimental values support each other.

Bimolecular fluorescence quenching reactions of the biologically active coumarin composite 2-acetyl-3H-benzo[f]chromen-3-one in different solvents.

A study on fluorescence quenching was carried out for the coumarin derivative 2-acetyl-3H-benzo[f]chromen-3-one (2AHBC) with aniline at room temperature. Efficient fluorescence quenching was observed and Stern-Volmer (S-V) plots showed upward curves from linearity in all solvents of different polarities. For the solute 2AHBC, ground state complex formation does not hold in our study.

Phytochemically Functionalized Cu and Ag Nanoparticles Embedded in MWCNTs for Enhanced Antimicrobial and Anticancer Properties.

Nanomedicine is an emerging field concerned with the use of precision engineered nanomaterials, which leads to the development of novel remedial and diagnostic modalities for human use. In this study, Cu(NO) and AgNO precursors were reduced to copper nanoparticles (CuNPs) and silver nanoparticles (AgNPs) using bark extracts under microwave irradiation in the presence of well-dispersed multi-walled carbon nanotubes (MWCNTs) in aqueous medium. The formation of CuNPs or AgNPs and their functionalization with MWCNTs via bioactive molecules of plant extract were evidenced from UV-Vis spectra, XRD, FTIR, FESEM, EDX, and TEM images.

Fluorescence characteristics of aryl boronic acid derivate (PBA).

The absorption and fluorescence spectra of newly synthesized aryl boronic acid derivative namely Phenyl boronic acid (PBA) have been recorded in various solvents of different polarities. The ground state dipole moment of PBA was obtained from quantum chemical calculations. Solvatochromic correlations were used to estimate the ground state (μg) and excited state (μe) dipole moments.

"Estimation of ground and excited state dipole moments of aryl boronic acid derivative by solvatochromic shift method".

In the present work, the absorption and fluorescence spectra of newly synthesized aryl boronic acid derivative namely 2-Methylphenyl boronic acid (2MPBA) have been recorded in various solvents of different polarities. The ground state dipole moment of 2MPBA was obtained from quantum chemical calculations. Solvatochromic correlations were used to estimate the ground state (μ g ) and excited state (μ e ) dipole moments.

Solvent effect on the relative quantum yield and fluorescence quenching of a newly synthesized coumarin derivative.

We estimated the relative florescence quantum yield (Φ) of 8-methoxy-3-[1-(4,5-dicarbomethoxy-1,2,3-triazoloacetyl)]coumarin [8MDTC] using a single-point method with quinine sulfate in 0.1 M of sulfuric acid used as a standard reference. The fluorescence lifetimes, radiative and non-radiative decay rate constants are calculated.

Fluorescence quenching of biologically active carboxamide by aniline and carbon tetrachloride in different solvents using Stern-Volmer plots.

Fluorescence quenching of biologically active carboxamide namely (E)-2-(4-chlorobenzylideneamino)-N-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide [ECNCTTC] by aniline and carbon tetrachloride (CCl4) quenchers in different solvents using steady state method and time resolved method using only one solvent has been carried out at room temperature to understand the role of quenching mechanisms. The Stern-Volmer plot has been found to be linear for all the solvents studied. The probability of quenching per encounter p (p') was determined in all the solvents and was found to be less than unity.

Solvent effect on absorption and fluorescence spectra of three biologically active carboxamides (C1, C2 and C3). Estimation of ground and excited state dipole moment from solvatochromic method using solvent polarity parameters.

The absorption and fluorescence spectra of three Carboxamides namely (E)-2-(4-Chlorobenzylideneamino)-N-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(1)), (E)-N-(3-Chlorophenyl)-2-(3, 4-dimethoxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(2)) and (E)-N-(3-Chlorophenyl)-2-(3,4,5-trimethoxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(3)) have been recorded at room temperature in solvents of different polarities using dielectric constant (ε) and refractive index (n). Experimental ground (μ(g)) and excited (μ(e)) state dipole moments are estimated by means of solvatochromic shift method and also the excited dipole moments are estimated in combination with ground state dipole moments. It was estimated that dipole moments of the excited state were higher than those of the ground state of all three molecules.