Nanobiosensor for diclofop detection based on chemically modified AFM probes (original) (raw)

2014, IEEE Sensors Journal

Highly sensitive and selective functional nanobiosensors are being developed because they have significant applications in the sustenance and conservation of natural resources and can be used in projects to identify degraded and contaminated areas (of both soil and water) and as environmental quality indicators. In the present study, a nanobiosensor was developed based on using theoretical models (molecular docking and molecular dynamics simulations) based on biomimicry of the action mechanism of herbicides in plants coupled with atomic force microscopy (AFM) tools. The herbicide molecules were detected at very low concentrations using a unique sensor construction: the AFM probes and the substrate were chemically functionalised to favour covalent bonding and promote molecular flexibility, as well as to achieve reproducible and accurate results. Computational methods were used to determine the binding energies associated with the enzyme-herbicide interactions, which were compared with experimental results for adhesion forces. The theoretical results showed that the diclofop herbicide could be assembled and attached onto the mica substrate surface and the ACCase enzyme on the AFM probe without damaging the diclofop molecule. The experimental results showed that using a specific agrochemical target molecule was more efficient than using other nonspecific agrochemicals. On average, there was a 90% difference between the values of specific recognition (diclofop) and nonspecific recognition (imazaquin, metsulfuron and glyphosate). This result validated the selectivity and specificity of the nanobiosensor. The first evidence of diclofop detection by AFM probe sensors has been presented in this work.

Nanomechanical Cantilever-Based Sensor: An Efficient Tool to Measure the Binding Between the Herbicide Mesotrione and 4-Hydroxyphenylpyruvate Dioxygenase

Nano, 2017

Nanomechanical biosensors based on atomic force microscopy (AFM) cantilevers have garnered considerable attention. AFM cantilevers are devices that can detect a target either via a surface functionalization process based on immobilization through molecular adsorption, or through the selective chemical binding of a specific molecule, transforming the device into a specific biosensor. In this study, we demonstrate that functionalized AFM cantilevers could be used, in a process involving self-assembling layers, to create a homogeneous surface layer of the widely used herbicide mesotrione. Controlled experiments to evaluate its detection were performed, and binding between mesotrione and its target molecule, 4-hydroxyphenylpyruvate dioxygenase (HPPD), was evaluated using deflection curves of functionalized cantilevers interacting with mesotrione. The cantilevers worked as nanomechanical sensors inside a fluid cell device, under different concentrations of HPPD diluted in PBS. After eval...

Unbinding pathway energy of glyphosate from the EPSPs enzyme binding site characterized by Steered Molecular Dynamics and Potential of Mean Force

Journal of molecular graphics & modelling, 2016

The quantification of herbicides in the environment, like glyphosate, is extremely important to prevent contamination. Nanobiosensors stands out in the quantization process, because of the high selectivity, sensitivity and short response time of the method. In order to emulate the detection of glyphosate using a specific nanobiossensor through an Atomic Force Microscope (AFM), this work carried out Steered Molecular Dynamics simulations (SMD) in which the herbicide was unbinded from the active site of the enzyme 5- enolpyruvylshikimate 3 phosphate synthase (EPSPS) along three different directions.After the simulations, Potential of Mean Force calculations were carried, from a cumulant expansion of Jarzynski's equation to obtain the profile of free energy of interaction between the herbicide and the active site of the enzyme in the presence of shikimate-3 substrate phosphate (S3P). The set of values for external work, had a Gaussian distribution. The PMF values ranged according t...

Loading...

Loading Preview

Sorry, preview is currently unavailable. You can download the paper by clicking the button above.