Computational insights of excited state intramolecular proton transfer (ESIPT) based fluorescent detection and imaging of ?-glutamytranspeptidase activity
文献类型：期刊论文
| 作者 | Nasim, Sayed Zahid4; Sarfaraz, Sehrish3; Jan, Faheem1,2; Yar, Muhammad3; Rehaman, Attiq Ur3 |
| 刊名 | SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
 |
| 出版日期 | 2023-10-15 |
| 卷号 | 299页码:9 |
| 关键词 | & gamma ESIPT mechanism Potential energy curve (PEC) scanning Fluorescent probe Fluorophore HPQ -Glutamytranspeptidase (GGT) |
| ISSN号 | 1386-1425 |
| DOI | 10.1016/j.saa.2023.122814 |
| 通讯作者 | Jan, Faheem(faheem19b@imr.ac.cn) ; Yar, Muhammad(myarchem@gmail.com) |
| 英文摘要 | ?-Glutamytranspeptidase (GGT) is an important tumor biomarker that widely appears in the tumor cells. Therefore, accurate imaging and detection of GGT activity in live cells, serum and pathological cells grasp great importance for the diagnosis, management, and treatment of cancer. Herein, 2-(2-hydroxyl-phenyl)-6-chloro-4-(3H)-quinazolinone (HPQ) is considered as the fluorophore probe for the detection of GGT activity, which is known for the typical mechanism of excited-state intramolecular proton transfer (ESIPT). All the simulations adopted to evaluate the sensing mechanism were carried out via DFT and TDDFT calculations at CAM-B3LYP/ TZVP level of theory. The emission properties of HPQ and HPQ-TD are thoroughly studied to understand the photoinduced electron transfer (PET) and excited state intramolecular proton transfer (ESIPT) process. The re-sults reveal that the fluorescence quenching of HPQ (enol form) is assigned to the PET process, whereas the large Stokes shift in fluorescence emission of HPQ (keto form) is related with ESIPT mechanism. The obtained results are further cross validated by frontier molecular orbital (FMO) analysis, geometric analysis, and potential energy curve (PEC) scanning. Our calculations provide powerful evidence for the ESIPT based sensing mechanism of HPQ (keto-enol form) for GGT activity. |
| WOS研究方向 | Spectroscopy |
| 语种 | 英语 |
| WOS记录号 | WOS:001053801700001 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/179086]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Jan, Faheem; Yar, Muhammad |
| 作者单位 | 1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 3.COMSATS Univ, Dept Chem, Abbottabad Campus, Abbottabad 22060, Pakistan 4.Lanzhou Univ, Coll Chem & Chem Engn, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Nasim, Sayed Zahid,Sarfaraz, Sehrish,Jan, Faheem,et al. Computational insights of excited state intramolecular proton transfer (ESIPT) based fluorescent detection and imaging of ?-glutamytranspeptidase activity[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2023,299:9. |
| APA | Nasim, Sayed Zahid,Sarfaraz, Sehrish,Jan, Faheem,Yar, Muhammad,&Rehaman, Attiq Ur.(2023).Computational insights of excited state intramolecular proton transfer (ESIPT) based fluorescent detection and imaging of ?-glutamytranspeptidase activity.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,299,9. |
| MLA | Nasim, Sayed Zahid,et al."Computational insights of excited state intramolecular proton transfer (ESIPT) based fluorescent detection and imaging of ?-glutamytranspeptidase activity".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 299(2023):9. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。