Exploring the molecular binding mechanism of 6-fluoro, 4-hydroxy, 2- methyl quinoline with TiO2 nanoparticles: A spectroscopic, thermodynamic, and insights into the solvatochromic effect.

This study investigates the interaction between titanium oxide nanoparticles (TiO2 NPs) and the heterocyclic fluorophore 6-fluoro,4-hydroxy,2-methylquinoline (6-FHMQ), aiming to understand fluorescence quenching mechanisms and thermodynamic characteristics. Spectroscopic techniques including spectrofluorometry (FL) and spectrophotometry (UV-Vis) were used, with a lifetime decay (τ) of 0.18 ns for 6-FHMQ measured using time correlated single photon counting (TCSPC). The interaction between 6-FHMQ and TiO2 NPs revealed a mix of static and dynamic fluorescence quenching mechanisms, with increasing quenching constants (Ksv) and a higher bimolecular quenching rate constant (Kq). The dynamic nature was highlighted by a temperature-dependent increase in binding sites from 1 to ~ 2. Spontaneous complexation was affirmed by negative change in free energy (ΔG), with negative change in enthalpy (ΔH) and a positive change in entropy (ΔS) values indicating favorable electrostatic and ionic interactions. The impact of varying TiO2 NP concentrations on 6-FHMQ absorption was analyzed using the Benesi-Hildbrand equation, with a quantum yield of 0.61 determined. By forster resonance energy transfer (FRET) theory, the proximity between 6-FHMQ and TiO2 NPs was found to be less than 70 Å. Ground and excited state dipole moments of 6-FHMQ in different solvents were calculated to demonstrate solvent sensing ability and charge transfer properties. Ultimately, this study serves as a testament to the power of scientific innovation in the realms of drug delivery and tissue engineering.

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. The dipole moment of 3DPP is estimated theoretically and experimentally using various solvatochromic methods. It is observed that there is a bathochromic shift in the emission spectra of 3DPP, which confirms the π → π* transition. Fluorescence quenching of 3DPP is studied. The type of fluorescence quenching mechanism is found to be collisional quenching. A study of FRET theory on 3DPP was carried out with metal ions. There is a considerable energy transfer between 3DPP and metal ions. NLO behaviors of the compound have been revealed with the help of Kurtz-Perry powder technique. Additionally, the title molecule is docked, carried ADMET studies and drug-like activity using in silico tools. It is probed for antifungal activity through bioinformatics kit which showed potential information.

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. To understand the molecular behaviour in different media, solvents of different refractive index and dielectric constant have been used. Spectroscopic measurement techniques such as UV/Vis spectroscopy and time related single photon counting are employed to characterise the molecule at room temperature. The fluorescence quenching study shows linear dependence of SV-plot in solvents of different dielectric constants. It reveals that quenching reactions are dynamic in nature. Various parameters of quenching have been determined and identified the type of quenching involved in the quenching reaction. Further, kq is found to be greater than [Formula: see text] in ACN, methanol, propanol and dioxane. Activation energy of quenching (Ea) is found to be greater than energy of diffusion (Ed) in ACN, methanol, propanol, THF solvents and Ed > Ea in dioxane, indicating that quenching reaction is not solely controlled by material diffusion but also activation process.

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. The kinetic distance (r) value was found to be greater than the encounter distance (R) and indicated that the quenching reaction was held within the sphere of action. Diffusion-limited reactions were found to be more prominent in high polarity solvents, namely dimethyl sulfoxide (DMSO), DMF, ACN, methanol, ethanol, propanol and DCM. The relationships between quenching constant (KSV ) and dielectric constants (ε) of the different solvents were studied.