Sensing of molecules using quantum dynamics

Abstract

We design sensors where information is transferred between the sensing event and the actuator via quantum relaxation processes, through distances of a few nanometers. We thus explore the possibility of sensing using intrinsically quantum mechanical phenomena that are also at play in photobiology, bioenergetics, and information processing. Specifically, we analyze schemes for sensing based on charge transfer and polarization (electronic relaxation) processes. These devices can have surprising properties. Their sensitivity can increase with increasing separation between the sites of sensing (the receptor) and the actuator (often a solid-state substrate). This counterintuitive response and other quantum features give these devices favorable characteristics, such as enhanced sensitivity and selectivity. Using coherent phenomena at the core of molecular sensing presents technical challenges but also suggests appealing schemes for molecular sensing and information transfer in supramolecular structures.

Cooperative expression of atomic chirality in inorganic nanostructures

“…Therefore, the development of new types of inorganic nanostructures possessing unique and tunable crystallographic and geometric chirality might provide test beds for understanding and controlling spin-dependent or topological phenomena. Indeed, recent works on spin selection and spin transport through chiral biomolecules have led to additional insights 46 47 48 49 . Third, the colloidal chiral nanostructures achieved in the current work can be used as building blocks for hierarchical assembly of mesoscopic structures and devices.…”

Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise

“…Charge transfer (CT) is fundamental to biology and to nanoscience because of its central role in energetics, signaling, and catalysis. Enormous effort has been devoted to understanding the molecular factors that influence and control the flow of electrons at the nanoscale, with the aim of understanding functionals and developing applications in sensing, bioinspired energy systems, drug delivery, and nanoelectronics . For example, the recent synthesis of novel DNA junction structures, including double crossovers, Holliday junctions, three-way junctions, − and guanine quadruplexes, , motivates the development of theories to assist in understanding and designing functional ET structures.…”

Sensing and sensitivity: Computational chemistry of graphene‐based sensors

“…• assessing the scope of analytes and the selectivity of a given sensor; 52 • understanding the factors influencing LOD and sensitivity; 52,53 • deriving the design criteria for improved sensors. 54 Although electrochemical graphene-based sensors are no exception when it comes to the likely benefits from theoretical insights, the state-of-the-art in simulating these complex devices has yet to reach its full potential.…”

“…From identifying the underlying chemical mechanisms responsible for the detectable signal to simulations of a model sensor in operation, 48 computational chemistry with its vast array of tools and techniques 50,51 plays an increasingly important role in chemical sensor research. Specific tasks currently addressed in silico include: assessing the scope of analytes and the selectivity of a given sensor; 52 understanding the factors influencing LOD and sensitivity; 52,53 deriving the design criteria for improved sensors 54 …”