Evidence map›Paper›PMID 36178513›Full record

ArticleJournal of molecular modeling2022

Theoretical study on a series of naphthalimide-contained two-photon fluorescent hypochlorite probe targeting endoplasmic reticulum: response mechanism and receptor effect.

Aohan Zhang, Ni Luan, Wenjie Wang, Jiancai Leng, Yujin Zhang

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Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

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5 · Who and what money

Authors and funding

5 authors.

Aohan Zhang *International School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
Ni Luan *International School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
Wenjie WangInternational School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
Jiancai LengInternational School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China. jiancaileng@qlu.edu.cn.
Yujin ZhangInternational School for Optoelectronic Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China. zhangyujin@qlu.edu.cn.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The development of detecting hypochlorous acid (HClO) in living endoplasmic reticulum has attracted much attention in the fields of biology, medicine, and pharmacy. In the present work, the one-photon absorption (OPA), one-photon emission (OPE), and two-photon absorption (TPA) properties of a series newly synthesized chemosensors with naphthalimide as the fluorophore were systematically investigated using time-dependent density functional theory in combination with response theory. Special emphasis is placed on evolution of the probes' optical properties in the presence of HClO. These compounds show drastic changes in their photoabsorption and photoemission properties when they react with HClO, indicating them to be excellent candidates as fluorescent chemosensors. To further understand the mechanisms of the two probes, we have employed the hole and electron analysis to investigate the charge transfer process for the photoemission of the molecules. The receptor effect is found to play a dominant role in the sensing performance of these probes. Specifically, two-photon absorption properties of the molecules are calculated. We have found that all probes show significant two-photon responses in the near-infrared light region. And the maximum two-photon absorption cross section of probe 2 is greatly enhanced with the presence of HClO, indicating that probe 2 can act as a potential two-photon excited fluorescent HClO probe. The theoretical investigations would be helpful to build the structure-property relationships for the naphthalimide-contained probes, providing information on the design of efficient two-photon fluorescent sensors that can be used for biological imaging of HClO in endoplasmic reticulum.

Indexed as

Hypochlorous AcidNaphthalimidesEndoplasmic ReticulumFluorescent DyesModels, TheoreticalFluorescent DyesHypochlorous AcidNaphthalimidesFluorescent probeHypochloriteIntramolecular charge transferTwo-photon absorption

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.