Fentanyl Assay Derived from Intermolecular Interaction-Enabled Small Molecule Recognition (iMSR) with Differential Impedance Analysis for Point-of-Care Testing

Abstract

Rapid and effective differentiation and quantification of a small molecule drug, such as fentanyl, in bodily fluids are major challenges for diagnosis and personal medication. However, the current toxicology methods used to measure drug concentration and metabolites require laboratory-based testing, which is not an efficient or cost-effective way to treat patients in a timely manner. Here, we show an assay for monitoring fentanyl levels by combining the intermolecular interaction-enabled small molecule recognition (iMSR) with differential impedance analysis of conjugated polymers. The differential interactions with the designed anchor interface were transduced through the perturbance of the electric status of the flexible conducting polymer. This assay showed excellent fentanyl selectivity against common interferences, as well as in variable body fluids through either testing strips or skin patches. Directly using the patient blood, the sensor provided 1%–5% of the average deviation compared to the “gold” standard method LC-MS results in the medically relevant fentanyl range of 20–90 nM. The superior sensing properties, in conjunction with mechanical flexibility and compatibility, enabled point-of-care detection and provided a promising avenue for applications beyond the scope of biomarker detection.

Toward Native Hardwood Lignin Pyrolysis: Insights into Reaction Energetics from Density Functional Theory

“…Details on the calculation of these properties, including the electronic, translational, rotational, and vibrational contributions for the molecular partition functions, can be found in the Supporting Information. Small inorganic systems with objectives of studying the reactive features similar to this work have been extensively studied with success in our group using comparable hybrid methodologies. − The radical product geometries were based on the geometry of the low energy conformation of the reactant, with the appropriate bonds cleaved, followed by optimization using the electronic structure methods previously described but without conformational searching. This approach has been used in previous works , to find the nearest local minimum while avoiding large-scale changes that could occur with a conformational search.…”

Electrochemical Sensors, Biosensors, and Optical Sensors for the Detection of Opioids and Their Analogs: Pharmaceutical, Clinical, and Forensic Applications

“…The presented device was demonstrated to be sensitive over a wide concentration range in serum (0.1 to 1000 nm), tears (0.5 to 500 nm), and artificial sweat (1 to 200 nm). Future work includes adapting the device for use with mobile devices to increase it functionality as a POC analysis method [77].…”

“…The authors proposed skin-embedded sensors that utilize electrochemical parameters, among others, to detect opioids in real-time analysis. Figure 27 demonstrates the proposed devices [77]. The skin-embedded sensors consist of an impedance-detecting material and an actual "strip" intended for placement on an individual's skin, enabling the detection of concentrations through interaction with bodily fluids, like sweat.…”

Systematic Mapping of Electrocatalytic Descriptors for Hybrid and Non-Hybrid Molybdenum Dichalcogenides with Graphene Support for Cathodic Hydrogen Generation

“…In the computational section of this work, atomistic modeling studies have been performed with periodic plane-wave density functional theory (DFT) to delve into the surface–electrochemistry of hydrogen binding (also known as chemisorption or adsorption). DFT study has become a powerful tool to provide critical insights into structural, electronic, optical, reactive, and energetic properties of materials and systems. − Binding energetics, which are considered major descriptors for catalytic performance but are difficult to attain with experimental measurement, have been calculated with DFT. The critical role of binding energy is stated by the Sabatier principle; that is, for ideal catalysis, the binding energy of key intermediates should be neither too strong nor too weak to ensure optimal catalysis. − In the case of HER, the well-established interpretation of the Sabatier principle is that for an optimal reaction rate, the binding free energy of hydrogen to the electrocatalyst surface should be zero. ,, In the computational part of this study, the conventional criterion of Δ G b ≈ 0 has been considered as the measure to establish the most suitable binding sites for HER catalysis.…”