Structural and functional computational analysis of nicotine analogs as potential neuroprotective compounds in Parkinson disease

Becerra, Gina Paola; Rojas-Rodríguez, Felipe; Ramírez, David; Loaiza, Alix E.; Tobar-Tosse, Fabián; Mejía, Sol M.; González, Janneth

doi:10.1016/j.compbiolchem.2020.107266

Cited by 2 publications

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“…36 The HOMO energy levels value for BITSH-1 and BITSH-2 were ∼−5.91 eV, and the HOMO energy level of nicotine was considered to be −6.09 eV, according to the literature. 37 Since the HOMO of nicotine lies above the HOMO of MOF, facile electron transfer occurs from the HOMO energy level of nicotine to the HOMO energy levels of BITSH-1 and BITSH-2 (Figure 3). This electron-transfer process leads to the strong quenching of fluorescence intensities of both the MOFs.…”

Section: ■ Introductionmentioning

confidence: 99%

“…The HOMO energy levels for the MOFs were calculated using the cyclic voltammetry (CV) technique (Figure S24), by considering their onset oxidation and reduction potentials and using the following equation E HOMO = − e [ E ox onset + 4.741] eV and E LUMO = − e [ E red onset + 4.741] eV . The HOMO energy levels value for BITSH-1 and BITSH-2 were ∼−5.91 eV, and the HOMO energy level of nicotine was considered to be −6.09 eV, according to the literature . Since the HOMO of nicotine lies above the HOMO of MOF, facile electron transfer occurs from the HOMO energy level of nicotine to the HOMO energy levels of BITSH-1 and BITSH-2 (Figure ).…”

Section: Introductionmentioning

confidence: 99%

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MOF-Based Dual Sensor for the Electrochemical and Fluorescence Detection of Nicotine

Leelasree

Goel

Aggarwal

2022

ACS Appl. Nano Mater.

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Detection of nicotine is highly desired; therefore, there is an endless need to develop multifunctional sensors that can detect nicotine in more than one way. Metal−organic frameworks, a class of porous hybrid materials known for their tunability, can be strong candidates for developing nicotine sensors. In this work, we have developed a pure Metal−organic framework (MOF)based dual sensor for the highly selective detection of nicotine. Interestingly, the sensor can efficiently detect nicotine using fluorescence and electrochemical sensing technique with a detection limit as low as 0.25 μM. Real cigarette and urine samples have been studied to evaluate the nicotine content in actual conditions where the sensor shows nearly 100% nicotine recovery. Selectivity experiments demonstrate that the MOF sensor can efficiently detect nicotine in the presence of other interfering analytes such as glucose, dopamine, and various metal salts. A plausible mechanism has been described for the MOFs' nicotine-sensing ability and Xray photoelectron spectroscopy (XPS) analysis shows that nicotine is present in the MOF samples after the sensing experiment.

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Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%