A molecular logic gate is a molecule that performs a logical operation based on at least one physical or chemical inputs and a single output. The field has advanced from simple logic systems based on a single chemical or physical input to molecules capable of combinatorial and sequential operations such as arithmetic operations (i.e. moleculators and memory storage algorithms). Molecular logic gates work with input signals based on chemical processes and with output signals based on spectroscopic phenomena. Logic gates are the fundamental building blocks of computers, microcontrollers and other electrical circuits that require one or more logical operations. They can be used to construct digital architectures with varying degrees of complexity by a cascade of a few to several million logic gates, and are essentially physical devices that produce a singular binary output after performing logical operations based on Boolean functions on one or more binary inputs. The concept of molecular logic gates, extending the applicability of logic gates to molecules, aims to convert chemical systems into computational units. The field has evolved to realize several practical applications in fields such as molecular electronics, biosensing, DNA computing, nanorobotics, and cell imaging.
Working principle
For logic gates with a single input, there are four possible output patterns. When the input is 0, the output can be either a 0 or 1. When the input is 1, the output can again be 0 or 1. The four output bit patterns correspond to a specific logic type: PASS 0, YES, NOT, and PASS 1. PASS 0 and PASS 1 always outputs 0 and 1, respectively, regardless of input. YES outputs a 1 when the input is 1, and NOT is the inverse of YES – it outputs a 0 when the input is 1. AND, OR, XOR, NAND, NOR, XNOR, and INH are two-input logic gates. The AND, OR, and XOR gates are fundamental logic gates, and the NAND, NOR, and XNOR gates are complementary to AND, OR, and XOR gates, respectively. An INHIBIT (INH) gate is a special conditional logic gate that includes a prohibitory input. When the prohibitory input is absent, the output produced depends solely on the other input.
History and development One of the earliest ideas for the use of π-conjugated molecules in molecular computation was proposed by Ari Aviram from IBM in 1988.
The first practical realization of molecular logic was by de Silva et al. in their seminal work, in which they constructed a molecular photoionic AND gate with a fluorescent output. While a YES molecular logic gate can convert signals from their ionic to photonic forms, they are singular-input-singular-output systems. To build more complex molecular logic architectures, two-input gates, namely AND and OR gates, are needed. Some early works made some progress in this direction, but they could not realize a complete truth table as their protonated ionic forms could not bind to the substrate in every case. De Silva et al. constructed an anthracene-based AND gate made up of tertiary amine and benzo-18-crown-6 units, both of which were known to show photoinduced electron transfer (PET) processes. The two molecules acted as receptors that were connected to the anthracene-based fluorophore by alkyl spacers. The PET is quenched upon coordination with protons and sodium ions, respectively, for the two receptors, and would cause the anthracene unit to fluoresce.
Examples of molecular logic gates
YES molecular logic gate An example of a YES logic gate comprises a benzo-crown-ether connected to a cyano-substituted anthracene unit. An output of 1 (fluorescence) is obtained only when sodium ions are present in the solution (indicating an input of 1). Sodium ions are encapsulated by the crown ether, resulting in a quenching of the PET process and causing the anthracene unit to fluoresce.
AND molecular logic gate This molecular logic gate illustrates the advancement from redox-fluorescent switches to multi-input logic gates with an electrochemical switch, detecting the presence of acids. This two-input AND logic gate incorporates a tertiary amine proton receptor and a tetrathiafulvalene redox donor. These groups, when attached to anthracene, can simultaneously process information concerning the concentration of the acid and oxidizing ability of the solution.
OR molecular logic gate De Silva et al. constructed an OR molecular logic gate using an aza-crown ether receptor and sodium and potassium ions as the inputs. Either of the two ions could bind to the crown ether, causing the PET to be quenched and the fluorescence to be turned on. Since either of the two ions (input "1") could cause fluorescence (output "1"), the system resembled an OR logic gate.
INH molecular logic gate The INH logic gate incorporates a Tb3+ ion in a chelate complex. This two-input logic gate displays non-commutative behavior with chemical inputs and a phosphorescence output. Whenever dioxygen (input "1") is present, the system is quenched and no phosphorescence is observed (output "0"). The second input, H+, must also be present for an output "1" to be observed.
NAND molecular logic gate Parker and Williams constructed a NAND logic gate based on strong emission from a terbium complex of phenanthridine. When acid and oxygen (the two inputs) are absent (input "0"), the terbium center fluoresces (output "1").
NOR molecular logic gate Akkaya and coworkers demonstrated a molecular NOR gate using a boradiazaindacene system. Fluorescence of the highly-emissive boradiazaindacene (input "1") was found to be quenched in the presence of either a zinc salt [Zn(II)] or trifluoroacetic acid (TFA).
XOR and XNOR molecular logic gates
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![Molecular logic gate: Block structure of a dual-input combinational molecular logic gate with metal ions as inputs (input "1") and fluorescence emission as output (output "1")[4]](https://upload.wikimedia.org/wikipedia/commons/thumb/0/0f/Figure_1._Block_structure_of_a_dual-input_combinational_molecular_logic_gate.png/500px-Figure_1._Block_structure_of_a_dual-input_combinational_molecular_logic_gate.png?utm_source=en.wikipedia.org&utm_campaign=parser&utm_content=thumbnail)



