Search for: All records

Acid-base reactions are ubiquitous, easy to prepare, and execute without sophisticated equipment. Acids and bases are also inherently complementary and naturally map to a universal representation of “0” and “1.” Here, we propose how to leverage acids, bases, and their reactions to encode binary information and perform information processing based upon the majority and negation operations. These operations form a functionally complete set that we use to implement more complex computations such as digital circuits and neural networks. We present the building blocks needed to build complete digital circuits using acids and bases for dual-rail encoding data values as complementary pairs, including a set of primitive logic functions that are widely applicable to molecular computation. We demonstrate how to implement neural network classifiers and some classes of digital circuits with acid-base reactions orchestrated by a robotic fluid handling device. We validate the neural network experimentally on a number of images with different formats, resulting in a perfect match to thein-silicoclassifier. Additionally, the simulation of our acid-base classifier matches the results of thein-silicoclassifier with approximately 99% similarity.

 

Chemical mixtures can be leveraged to store large amounts of data in a highly compact form and have the potential for massive scalability owing to the use of large-scale molecular libraries. With the parallelism that comes from having many species available, chemical-based memory can also provide the physical substrate for computation with increased throughput. Here, we represent non-binary matrices in chemical solutions and perform multiple matrix multiplications and additions, in parallel, using chemical reactions. As a case study, we demonstrate image processing, in which small greyscale images are encoded in chemical mixtures and kernel-based convolutions are performed using phenol acetylation reactions. In these experiments, we use the measured concentrations of reaction products (phenyl acetates) to reconstruct the output image. In addition, we establish the chemical criteria required to realize chemical image processing and validate reaction-based multiplication. Most importantly, this work shows that fundamental arithmetic operations can be reliably carried out with chemical reactions. Our approach could serve as a basis for developing more advanced chemical computing architectures. 

Autocatalysis is fundamental to many biological processes, and kinetic models of autocatalytic reactions have mathematical forms similar to activation functions used in artificial neural networks. Inspired by these similarities, we use an autocatalytic reaction, the copper-catalyzed azide–alkyne cycloaddition, to perform digital image recognition tasks. Images are encoded in the concentration of a catalyst across an array of liquid samples, and the classification is performed with a sequence of automated fluid transfers. The outputs of the operations are monitored using UV-vis spectroscopy. The growing interest in molecular information storage suggests that methods for computing in chemistry will become increasingly important for querying and manipulating molecular memory. 

A mononuclear W( iv ) bis-dithiolene complex stabilized by an oxo ligand shows a reductive reactivity toward CO 2 , from which formate and a dinuclear W( v ) complex are generated. An unusual structural rearrangement was observed during the reaction. Structural and spectroscopic characterization for a novel triply bridged dinuclear W( v ) complex is reported. 

Multicomponent reactions enable the synthesis of large molecular libraries from relatively few inputs. This scalability has led to the broad adoption of these reactions by the pharmaceutical industry. Here, we employ the four-component Ugi reaction to demonstrate that multicomponent reactions can provide a basis for large-scale molecular data storage. Using this combinatorial chemistry we encode more than 1.8 million bits of art historical images, including a Cubist drawing by Picasso. Digital data is written using robotically synthesized libraries of Ugi products, and the files are read back using mass spectrometry. We combine sparse mixture mapping with supervised learning to achieve bit error rates as low as 0.11% for single reads, without library purification. In addition to improved scaling of non-biological molecular data storage, these demonstrations offer an information-centric perspective on the high-throughput synthesis and screening of small-molecule libraries.