TDDFT study on the photophysical properties of coumarinyl chalcones and sensing mechanism of a derived fluorescent probe for hydrogen sulfide.

08:00 EDT 16th March 2020 | BioPortfolio

Summary of "TDDFT study on the photophysical properties of coumarinyl chalcones and sensing mechanism of a derived fluorescent probe for hydrogen sulfide."

Coumarin-chalcone hybrids have attracted much attention in recent years due to their important optical properties. Herein, the photophysical properties of a series of coumarinyl chalcones and the sensing mechanism for HS of a related fluorescent probe CC-DNP were investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. The predicted spectral properties agree well with the experimental results, which allowed an assignment of the spectra. Our calculations successfully clarified the experimental observed fluorescence "off-on" effect and the fluorescent quenching mechanism of the probe. The results revealed that the first excited state (S) of the probe CC-DNP is a dark state with obvious charge transfer from coumarin unit to 2,4-dinitrophenyl (DNP) moiety, which results in the fluorescence quenching via the nonradiative photoinduced electron transfer (PET) process. On the other hand, the excited state S in the thiolysis product CC-OH decayed directly to S, and thus the fluorescence is recovered.


Journal Details

This article was published in the following journal.

Name: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Pages: 118263


DeepDyve research library

PubMed Articles [25780 Associated PubMed Articles listed on BioPortfolio]

Environment dependent photophysical and fluorescence turn-off sensing properties of Fe(iii) by substituted phenyl isochromenopyrrol-5-ones.

Analogues of isochromenopyrrolone were synthesized using Montomorillonite K10 as a catalyst and characterized. The electronic structure and geometry of all the synthesized compounds were investigated ...

Structure, Dynamics and Photophysical Properties of a Series of Pt(NHR)-PtX Complexes.

Theoretical investigations of the structural, dynamics and photo-physical properties of the Magnus' green salt complex and its derivatives obtained with different substituent were carried out at diffe...

Ethyl Acetohydroxamate Incorporated Chalcones: Unveiling a Novel Class of Chalcones for Multitarget Monoamine Oxidase-B Inhibitors Against Alzheimer's Disease.

Chalcones are considered as the selective scaffold for the inhibition of MAO-B.

Gas sensing mechanisms of metal oxide semiconductors: a focus review.

In recent years, gas sensors have been increasingly used in industrial production and daily life. Metal oxide semiconductor gas sensing materials are favoured for their outstanding physical and chemic...

Characterization of Photophysical Properties of the Photoactivatable Fluorescent Proteins for Superresolution Microscopy.

Photoactivatable fluorescent proteins (PA-FPs) are widely used in photoactivated localization microscopy (PALM), and information about their blinking properties is important for precise assembling of ...

Clinical Trials [2961 Associated Clinical Trials listed on BioPortfolio]

Acid-Sensing Ion Channel and Migraine Disease Proof of Concept Study on the Efficacy of Amiloride in the Prophylaxis of Migraine Aura

Recent data suggest involvement of Acid-Sensing Ion Channel channels in the pathophysiology of migraine making these channels a therapeutic target of migraine disease. The implication of A...

Comparison Between Contact Force Guided and Blinded Strategy on PV Isolation in AF Patients

Pulmonary vein (PV) isolation is very important in atrial fibrillation (AF) catheter ablation. PV reconnection is one of the main reasons in AF recurrence. Contact force-sensing catheter i...

Contact-Force-Sensing-Based Radiofrequency Catheter Ablation in Paroxysmal Supraventricular Tachycardias

The aim of this single-center prospective randomized controlled trial is to assess the superiority of contact-force-(CF)-sensing-based approach compared to conventional (non-CF-sensing) ap...

Accelerometer Sensing for Micra AV Study

The purpose of the AccelAV Study is to characterize chronic AV synchrony in subjects implanted with MicraTM AV device. This study will be conducted upon market approval of the MicraTM AV T...

Optimal Sensing in Atrial Tachyarrhythmia's Study

The aim of the study is the comparison of two different leads in their capabilities to detect episodes and duration of paroxysmal atrial fibrillation (AF) and atrial tachyarrhythmia (AT), ...

Medical and Biotech [MESH] Definitions

A class of G-protein-coupled receptors that react to varying extracellular CALCIUM levels. Calcium-sensing receptors in the PARATHYROID GLANDS play an important role in the maintenance of calcium HOMEOSTASIS by regulating the release of PARATHYROID HORMONE. They differ from INTRACELLULAR CALCIUM-SENSING PROTEINS which sense intracellular calcium levels.

Measurement of the temperature of a material, or of the body or an organ by various temperature sensing devices which measure changes in properties of the material that vary with temperature, such as ELASTICITY; MAGNETIC FIELDS; or LUMINESCENCE.

Process whereby a cell, bodily structure, or organism (animal or plant) receives or detects a gravity stimulus. Gravity sensing plays an important role in the directional growth and development of an organism (GRAVITROPISM).

An interdisciplinary study of the microstructure and composition of various materials such as metals, semiconductors, ceramics, and polymers, in relation to their macromolecular physical and chemical properties. Materials science enables the custom creation of new materials with specific properties and uses.

Intracellular signaling peptides and proteins that bind to CALCIUM. They undergo allosteric changes when bound to CALCIUM that affects their interaction with other signal-transducing molecules. They differ from CALCIUM-SENSING RECEPTORS which sense extracellular calcium levels.

Quick Search

DeepDyve research library

Searches Linking to this Article