Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications
Аутори
Rasin, PuthiyavalappilBasheer, Sabeel M.
Haribabu, Jebiti
Aneesrahman, K. N.
Manakkadan, Vipin
Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri
Bhuvanesh, Nattamai
Echeverria, Cesar
Santibanez, Juan F.
Sreekanth, Anandaram
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
A novel Coumarin-based 1,2-pyrazole, HCPyTSC is synthesised and characterized. The chemosensor has been shown to have efficient colourimetric and fluorescence sensing capabilities for the quick and selective detection of fluoride and copper ions. At 376 and 430 nm, the HCPyTSC exhibits selective sensing for Cu2+ and F− ions. By examining the natural bond orbital (NBO) analysis and the potential energy curve (PES) of the ground state for the function of the C–H bond, it has been determined from the theoretical study at hand that the deprotonation was taken from the ‘CH’ proton of the pyrazole ring. For F− and Cu2+, the HCPyTSC detection limits were 4.62 nM and 15.36 nM, respectively. Similarly, the binding constants (Kb) for F− and Cu2+ ions in acetonitrile medium were found to be 2.06 × 105 M−1 and 1.88 × 105 M−1. Chemosensor HCPyTSC with and without F− and Cu2+ ions have an emission and absorption response that can imitate a variety of logic gates, including the AND, XOR, and OR gates.... Additionally, a paper-based sensor strip with the HCPyTSC was created for use in practical, flexible F− sensing applications. The paper-based sensor was more effective in detecting F− than other anions. The effectiveness of HCPyTSC for the selective detection of F− in living cells as well as its cell permeability were examined using live-cell imaging in T24 cells.
Кључне речи:
Chemosensor / NBO / DFT / Logic gates / Keypad lockИзвор:
Heliyon, 2024, 10, 1, e24077-Издавач:
- Elsevier
Финансирање / пројекти:
- The Ministry of Human Resource Development, Government of India
- Regional Competitiveness (FIC Regional, 2023) of the Regional government of Atacama, code BIP 40049126-0, 40045259-0 and 40035624-0.
Институција/група
Institut za medicinska istraživanjaTY - JOUR AU - Rasin, Puthiyavalappil AU - Basheer, Sabeel M. AU - Haribabu, Jebiti AU - Aneesrahman, K. N. AU - Manakkadan, Vipin AU - Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri AU - Bhuvanesh, Nattamai AU - Echeverria, Cesar AU - Santibanez, Juan F. AU - Sreekanth, Anandaram PY - 2024 UR - http://rimi.imi.bg.ac.rs/handle/123456789/1463 AB - A novel Coumarin-based 1,2-pyrazole, HCPyTSC is synthesised and characterized. The chemosensor has been shown to have efficient colourimetric and fluorescence sensing capabilities for the quick and selective detection of fluoride and copper ions. At 376 and 430 nm, the HCPyTSC exhibits selective sensing for Cu2+ and F− ions. By examining the natural bond orbital (NBO) analysis and the potential energy curve (PES) of the ground state for the function of the C–H bond, it has been determined from the theoretical study at hand that the deprotonation was taken from the ‘CH’ proton of the pyrazole ring. For F− and Cu2+, the HCPyTSC detection limits were 4.62 nM and 15.36 nM, respectively. Similarly, the binding constants (Kb) for F− and Cu2+ ions in acetonitrile medium were found to be 2.06 × 105 M−1 and 1.88 × 105 M−1. Chemosensor HCPyTSC with and without F− and Cu2+ ions have an emission and absorption response that can imitate a variety of logic gates, including the AND, XOR, and OR gates. Additionally, a paper-based sensor strip with the HCPyTSC was created for use in practical, flexible F− sensing applications. The paper-based sensor was more effective in detecting F− than other anions. The effectiveness of HCPyTSC for the selective detection of F− in living cells as well as its cell permeability were examined using live-cell imaging in T24 cells. PB - Elsevier T2 - Heliyon T1 - Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications IS - 1 SP - e24077 VL - 10 DO - 10.1016/j.heliyon.2024.e24077 ER -
@article{ author = "Rasin, Puthiyavalappil and Basheer, Sabeel M. and Haribabu, Jebiti and Aneesrahman, K. N. and Manakkadan, Vipin and Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri and Bhuvanesh, Nattamai and Echeverria, Cesar and Santibanez, Juan F. and Sreekanth, Anandaram", year = "2024", abstract = "A novel Coumarin-based 1,2-pyrazole, HCPyTSC is synthesised and characterized. The chemosensor has been shown to have efficient colourimetric and fluorescence sensing capabilities for the quick and selective detection of fluoride and copper ions. At 376 and 430 nm, the HCPyTSC exhibits selective sensing for Cu2+ and F− ions. By examining the natural bond orbital (NBO) analysis and the potential energy curve (PES) of the ground state for the function of the C–H bond, it has been determined from the theoretical study at hand that the deprotonation was taken from the ‘CH’ proton of the pyrazole ring. For F− and Cu2+, the HCPyTSC detection limits were 4.62 nM and 15.36 nM, respectively. Similarly, the binding constants (Kb) for F− and Cu2+ ions in acetonitrile medium were found to be 2.06 × 105 M−1 and 1.88 × 105 M−1. Chemosensor HCPyTSC with and without F− and Cu2+ ions have an emission and absorption response that can imitate a variety of logic gates, including the AND, XOR, and OR gates. Additionally, a paper-based sensor strip with the HCPyTSC was created for use in practical, flexible F− sensing applications. The paper-based sensor was more effective in detecting F− than other anions. The effectiveness of HCPyTSC for the selective detection of F− in living cells as well as its cell permeability were examined using live-cell imaging in T24 cells.", publisher = "Elsevier", journal = "Heliyon", title = "Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications", number = "1", pages = "e24077", volume = "10", doi = "10.1016/j.heliyon.2024.e24077" }
Rasin, P., Basheer, S. M., Haribabu, J., Aneesrahman, K. N., Manakkadan, V., Vadakkedathu Palakkeezhillam, V. N., Bhuvanesh, N., Echeverria, C., Santibanez, J. F.,& Sreekanth, A.. (2024). Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications. in Heliyon Elsevier., 10(1), e24077. https://doi.org/10.1016/j.heliyon.2024.e24077
Rasin P, Basheer SM, Haribabu J, Aneesrahman KN, Manakkadan V, Vadakkedathu Palakkeezhillam VN, Bhuvanesh N, Echeverria C, Santibanez JF, Sreekanth A. Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications. in Heliyon. 2024;10(1):e24077. doi:10.1016/j.heliyon.2024.e24077 .
Rasin, Puthiyavalappil, Basheer, Sabeel M., Haribabu, Jebiti, Aneesrahman, K. N., Manakkadan, Vipin, Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri, Bhuvanesh, Nattamai, Echeverria, Cesar, Santibanez, Juan F., Sreekanth, Anandaram, "Host-guest interactions of coumarin-based 1,2-pyrazole using analytical and computational methods: Paper strip-based detection, live cell imaging, logic gates and keypad lock applications" in Heliyon, 10, no. 1 (2024):e24077, https://doi.org/10.1016/j.heliyon.2024.e24077 . .