Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System

Zhang, Yujin; Leng, Jiancai

doi:10.3390/s17071672

Cited by 10 publications

(8 citation statements)

References 36 publications

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“…Here, we adopt a feasible method to calculate the energy transfer rate, i.e., the energy transfer probability per unit time, by applying the Fermi’s golden rule. The detailed theory has been reported in [31].…”

Section: Resultsmentioning

confidence: 99%

Sensing Performance and Efficiency of Two Energy Transfer-Based Two-Photon Fluorescent Probes for pH

Zhang

2018

Sensors

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The design and synthesis of fluorescent probes for monitoring pH values inside living cells have attracted great attention, due to the important role pH plays in many biological processes. In this study, the optical properties of two different two-photon fluorescent probes for pH are studied. The ratiometric sensing of the probes are theoretically illustrated. Meanwhile, the recognitional mechanisms of the probes are investigated, which shows the energy transfer process when react with H+. Specially, the calculated results demonstrate that Probe1 possesses a higher energy transfer efficiency and a larger two-photon absorption cross-section than Probe2, indicating it to be a preferable pH fluorescent probe. Therefore, the influence of connection between the donor and the acceptor on the sensing performances of the probe is demonstrated. Our results help to understand the experimental observations and provide a theoretical basis to synthesize efficient two-photon fluorescent probes for monitoring pH changes.

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Section: Resultsmentioning

confidence: 99%

Sensing Performance and Efficiency of Two Energy Transfer-Based Two-Photon Fluorescent Probes for pH

Zhang

2018

Sensors

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“…Transition probability for one‐photon absorption (OPA) and one‐photon emission (OPE) can be described by oscillator strength, [ 33 ]

δ_{OPA ((), OPE)} = \frac{2 ω_{ij}}{3} \sum_{α} {|〈i| μ_{α} |j〉|}^{2} .

where i denotes the ground state; ω ij is the corresponding excitation energy of the excited state j ; μ α is the Cartesian component of the electronic dipole moment operator; and the summation is performed over the molecular x, y , and z axes.…”

Section: Theoretical Methods and Computational Detailsmentioning

confidence: 99%

“…Transition probability for one-photon absorption (OPA) and one-photon emission (OPE) can be described by oscillator strength, [33]…”

Section: One-photon Absorption and Emissionmentioning

confidence: 99%

Theoretical insights into sensing performances of rhodamine‐contained two‐photon fluorescent probes for mercury ion

Leng

Xin

Zhou

et al. 2020

Int J of Quantum Chemistry

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Acting as a caustic element with high cellular toxicity, mercury may cause serious damage to the neurological and endocrine systems of the living body. Hence, the rapid detection of mercury ions is of significant importance. In this work, photoabsorption and photoemission properties of a series of newly synthesized mercury ion chemosensors based on rhodamine is investigated using the time-dependent density functional theory. It shows that the fluorescent peaks of the probes are greatly redshifted from about 450 nm to about 530 nm with 5 to 12 times the fluorescence enhancement after reacting with mercury ions. Special attention has been paid to understanding the response mechanism of the probes, and the recognition of mercury ions controlled by the fluorescence resonance energy transfer process is verified theoretically. More importantly, the quadratic response theory has been used to calculate two-photon absorption properties of these novel chemosensors. With the presence of mercury ion, a twophoton absorption cross section for the studied probes increases from 35, 19, and 20 GM (1GM=10-50 cm 4 s/photon) to 155, 147, and 63 GM, respectively, indicating the feasibility of the probes to be used in two-photon fluorescent microscopy imaging. The investigations demonstrate the donor effect on sensing performance of the sensors, which helps people to understand the structure-property relationships and further design more effective two-photon fluorescent probes for mercury ions.

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“…Simultaneously, the penetration depth and the spatial resolution are relatively limited [ 20 , 21 ]. In contrast to the one-photon fluorescent probe, a two-photon fluorescent probe takes two photons with lower energy for the excitation can overcome the above shortcomings [ 22 , 23 , 24 ]. Therefore, the development of two-photon fluorescent probe has been of great interest in many fields at present.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Design of a Two-Photon Fluorescent Probe for Nitric Oxide with Enhanced Emission Induced by Photoninduced Electron Transfer

Zhang

Leng

2018

Sensors

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In the present work, we systematically investigate the sensing abilities of two recently literature-reported two-photon fluorescent NO probes, i.e., the o-phenylenediamine derivative of Nile Red and the p-phenylenediamine derivative of coumarin. The recognition mechanisms of these probes are studied by using the molecular orbital classifying method, which demonstrates the photoinduced electron transfer process. In addition, we have designed two new probes by swapping receptor units present on fluorophores, i.e., the p-phenylenediamine derivative of Nile Red and the o-phenylenediamine derivative of coumarin. However, it illustrates that only the latter has ability to function as off-on typed fluorescent probe for NO. More importantly, calculations on the two-photon absorption properties of the probes demonstrate that both receptor derivatives of coumarin possess larger TPA cross-sections than Nile Red derivatives, which makes a better two photon fluorescent probe. Our theoretical investigations reveal that the underlying mechanism satisfactorily explain the experimental results, providing a theoretical basis on the structure-property relationships which is beneficial to developing new two-photon fluorescent probes for NO.

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Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System

Cited by 10 publications

References 36 publications

Sensing Performance and Efficiency of Two Energy Transfer-Based Two-Photon Fluorescent Probes for pH

Sensing Performance and Efficiency of Two Energy Transfer-Based Two-Photon Fluorescent Probes for pH

Theoretical insights into sensing performances of rhodamine‐contained two‐photon fluorescent probes for mercury ion

Theoretical Design of a Two-Photon Fluorescent Probe for Nitric Oxide with Enhanced Emission Induced by Photoninduced Electron Transfer

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