This paper comprises an updated version of the 2014 review which reported 1846 volatile organic compounds (VOCs) identified from healthy humans. In total over 900 additional VOCs have been reported since the 2014 review and the VOCs from semen have been added. The numbers of VOCs found in breath and the other bodily fluids are: blood 379, breath 1488, faeces 443, milk 290, saliva 549, semen 196, skin 623 and urine 444. Compounds were assigned CAS registry numbers and named according to a common convention where possible. The compounds have been included in a single table with the source reference(s) for each VOC, an update on our 2014 paper. VOCs have also been grouped into tables according to their chemical class or functionality to permit easy comparison. Careful use of the database is needed, as a number of the identified VOCs only have level 2—putative assignment, and only a small fraction of the reported VOCs have been validated by standards. Some clear differences are observed, for instance, a lack of esters in urine with a high number in faeces and breath. However, the lack of compounds from matrices such a semen and milk compared to breath for example could be due to the techniques used or reflect the intensity of effort e.g. there are few publications on VOCs from milk and semen compared to a large number for breath. The large number of volatiles reported from skin is partly due to the methodologies used, e.g. by collecting skin sebum (with dissolved VOCs and semi VOCs) onto glass beads or cotton pads and then heating to a high temperature to desorb VOCs. All compounds have been included as reported (unless there was a clear discrepancy between name and chemical structure), but there may be some mistaken assignations arising from the original publications, particularly for isomers. It is the authors’ intention that this work will not only be a useful database of VOCs listed in the literature but will stimulate further study of VOCs from healthy individuals; for example more work is required to confirm the identification of these VOCs adhering to the principles outlined in the metabolomics standards initiative. Establishing a list of volatiles emanating from healthy individuals and increased understanding of VOC metabolic pathways is an important step for differentiating between diseases using VOCs.

The assessment of volatile compounds (VOCs) for disease diagnosis is a growing area of research. There is a need to provide hard evidence i.e. biochemical routes, to justify putative VOC biomarkers, as in many cases this remains uncertain, which weakens their authenticity. Recently reports of volatile hydrocarbons and or aldehydes in bodily fluids and breath have been attributed to oxidative stress, although as discussed here, fewer compounds have been reported than expected from a mechanistic examination. Oxidative stress can result from many disease states which produce inflammation, and a better understanding of the interconnection between oxidative stress and the release of VOCs from target diseased and healthy organs could greatly help diagnoses. It is generally considered that oxidation of unsaturated fatty acids are a major source of these VOCs. An investigation listing the many possible volatile oxidation products has not been undertaken. This is described here using a mechanistic analysis (based on the literature) of the compounds derived from molecular cleavage and the results compared with a recent review of all the VOCs emanating from the human body, which satisfactorily explains the presence of at least 100 VOCs. Six important unsaturated fatty acids, oleic, palmitoleic, linoleic, linolenic, arachidonic, and cervonic acids have been shown to be capable of producing up to 18 n+6 unique breakdown products (where n = the number of alkene double bonds in the fatty acid hydrocarbon chain), in total 299 compounds. In many cases these have not been reported. We suggest several reasons for this: these VOCs have not been expected, so researchers are not looking for them and importantly some are not present in the mass spectral libraries, or they are too low a concentration to have been detected, or are not present. Furthermore a theoretical explanation for the origins of branched aldehydes and other compounds arising from bacterial oxidative metabolism of unsaturated fatty acids are described.

In cellular automata models a glider gun is an oscillating pattern of nonquiescent states that periodically emits traveling localizations (gliders). The glider streams can be combined to construct functionally complete systems of logical gates and thus realize universal computation. The glider gun is the only means of ensuring the negation operation without additional external input and therefore is an essential component of a collision-based computing circuit. We demonstrate the existence of glider-gun-like structures in both experimental and numerical studies of an excitable chemical system—the light-sensitive Belousov-Zhabotinsky reaction. These discoveries could provide the basis for future designs of collision-based reaction-diffusion computers.

Liquid marbles are microliter droplets of liquid, encapsulated by self-organized hydrophobic particles at the liquid/air interface. They offer an efficient approach for manipulating liquid droplets and compartmentalizing reactions in droplets. Digital fluidic devices employing liquid marbles might benefit from having embedded computing circuits without electronics and moving mechanical parts (apart from the marbles). We present an experimental implementation of a collision gate with liquid marbles. Mechanics of the gate follows principles of Margolus’ soft-sphere collision gate. Boolean values of the inputs are given by the absence (FALSE) or presence (TRUE) of a liquid marble. There are three outputs: two outputs are trajectories of undisturbed marbles (they only report TRUE when just one marble is present at one of the inputs), one output is represented by trajectories of colliding marbles (when two marbles collide they lose their horizontal momentum and fall), this output reports TRUE only when two marbles are present at inputs. Thus the gate implements AND and AND-NOT logical functions. We speculate that by merging trajectories representing AND-NOT output into a single channel one can produce a one-bit half-adder. Potential design of a one-bit full-adder is discussed, and the synthesis of both a pure nickel metal and a hybrid nickel/polymer liquid marble is reported.