Quantum Mechanical Study of Nucleic Acid Interaction with Carbon Nanotubes in Interior and at Exterior Positions

Kumar, Asheesh; Singh, Dharmveer; Kumar, Deep; Kumar, Dinesh

doi:10.1166/asl.2018.10847

Cited by 5 publications

(2 citation statements)

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“…Computational studies have previously been conducted on the quantification of the 3D structure of sucralose (SUC) using methods such as high-performance liquid chromatography (HPLC)-UV, high-performance thin layer chromatography (HPTLC), high-performance anion exchange chromatography-pulsed amperometric detecter (HPAEC-PAD), HPLC-ELSD, and liquid chromatography-mass spectrometry [4][5][6][7][8][9][10]. Later, at the B3LYP level of theory, density functional theory (DFT) computations were utilized to geometry-optimize the SUC model utilizing the 6-311 + G basis sets as implemented in the Gaussian 09 software package [11,12]. A frequency calculation provided additional evidence of the global minimum for the modified shape [13].…”

Section: Extensive Applicationmentioning

confidence: 99%

Advances and application of common biosensors

Zhang

2023

TNS

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Biosensors are devices that can detect and measure chemical components in organisms through specialized biological properties or reactions. This paper provides an overview of the three main types of biosensors: enzymatic, immunosensors, and microbial sensors. Enzymatic biosensors utilize enzymes to catalyze specific reactions between target molecules and other components of the biosensor, creating measurable signals. Immunosensors rely on immunological reactions between antigens and antibodies to detect and quantify substances in a solution. Microbial sensors use microbial cells to produce signal outputs being tested. Each type of biosensor has unique applications and mechanisms that make them useful in various scientific studies, including clinical medicine, laboratory research, environmental monitoring, and food engineering. Ongoing advancements in technology will undoubtedly continue to expand the scope of biosensors uses, making them increasingly important in many fields. This paper aims to provide researchers with an understanding of the mechanisms behind biosensors and strategies to improve their performance for better measurement, detection, and monitoring capabilities.

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Section: Extensive Applicationmentioning

confidence: 99%

Advances and application of common biosensors

Zhang

2023

TNS

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“…Density functional theory (DFT) calculations on the 3D structure of neotame geometrically optimized at the B3LYP level using the 6-311 + G basis sets [22] were implemented using Gaussian 09 [23]. The global minimum for the optimized geometry was further confirmed by a frequency calculation [24].…”

Section: Dft Calculationsmentioning

confidence: 99%

Electrochemical Enzymatic Biosensing of Neotame Supported by Computational Methods

et al. 2020

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Herein a highly sensitive electrochemical enzymatic biosensor for the detection of neotame in soft drinks was developed based on multiwalled carbon nanotubes (MWCNTs) decorated with aloe vera-derived gold nanoparticles (AuNPs) and carboxyl esterase (CaE) enzyme to support the wave strengthening strategy. The electrochemical biosensor revealed high sensitivity with a limit of detection (LOD) and limit of quantification (LOQ) of 27 μg L À 1 and 83 μg L À 1 respectively. The calibration curve showed a linear dependence of the cathodic peak current on the neotame concentration profile with a correlation factor of 0.9829, signifying an improved electrocatalytic property of the electrode. The good feasibility of the proposed strategy was confirmed by assessing the interactions between the analyte and the enzyme using computational tools. The density functional theory (DFT) calculations of neotame reveal a HOMO-LUMO energy gap of À 0.46618 eV, suggesting a great tendency to act as an electron donor. Furthermore, adsorption and analyte-enzyme docking studies were carried out to better understand the redox mechanisms. These results revealed that neotame form hydrogen bonds with LEU 249 and GLU251 and other amino acids of the hydrophobic channel of the binding sites, thereby facilitating the redox reaction for the detection of neotame. These outcomes confirm that the aloe vera-derived AuNPs are good platforms for immobilizing CaE because of its high surface area, promoting the electron transfer from neotame to form an enzyme-substrate complex, contributing to an enhanced biosensing signal. Furthermore, the enhanced catalytic activity of this enzymatic biosensor for the detection of neotame in soft drinks has huge potential in the food and beverage industry.

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Interaction of modified nucleic bases with graphene and doped graphenes: a DFT study

Kumar

2020

Bull Mater Sci

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Quantum Mechanical Study of Nucleic Acid Interaction with Carbon Nanotubes in Interior and at Exterior Positions

Cited by 5 publications

References 0 publications

Advances and application of common biosensors

Advances and application of common biosensors

Electrochemical Enzymatic Biosensing of Neotame Supported by Computational Methods

Interaction of modified nucleic bases with graphene and doped graphenes: a DFT study

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