The automatic parameter-exploration with a machine-learning-like approach: Powering the evolutionary modeling on the origin of life

The origin of life involved complicated evolutionary processes. Computer modeling is a promising way to reveal relevant mechanisms. However, due to the limitation of our knowledge on prebiotic chemistry, it is usually difficult to justify parameter-setting for the modeling. Thus, typically, the studies were conducted in a reverse way: the parameter-space was explored to find those parameter values “supporting” a hypothetical scene (that is, leaving the parameter-justification a later job when sufficient knowledge is available). Exploring the parameter-space manually is an arduous job (especially when the modeling becomes complicated) and additionally, difficult to characterize as regular “Methods” in a paper. Here we show that a machine-learning-like approach may be adopted, automatically optimizing the parameters. With this efficient parameter-exploring approach, the evolutionary modeling on the origin of life would become much more powerful. In particular, based on this, it is expected that more near-reality (complex) models could be introduced, and thereby theoretical research would be more tightly associated with experimental investigation in this field–hopefully leading to significant steps forward in respect to our understanding on the origin of life.

Reply to Nayak, P.K. Comment on “Samulewski et al. Magnetite Synthesis in the Presence of Cyanide or Thiocyanate under Prebiotic Chemistry Conditions. Life 2020, 10, 34”

We have considered the criticisms raised by Pranaba K. Nayak [...]

Systems Astrochemistry: A New Doctrine for Experimental Studies

Laboratory experiments play a key role in deciphering the chemistry of the interstellar medium (ISM) and the formation of complex organic molecules (COMs) relevant to life. To date, however, most studies in experimental astrochemistry have made use of a reductionist approach to experimental design in which chemical responses to variations in a single parameter are investigated while all other parameters are held constant. Although such work does afford insight into the chemistry of the ISM, it is likely that several important points (e.g., the possible influence of experimental parameter interaction) remain ambiguous. In light of this, we propose the adoption of a new “systems astrochemistry” approach for experimental studies and present the basic tenants and advantages of this approach in this perspective article. Such an approach has already been used for some time now and to great effect in the field of prebiotic chemistry, and so we anticipate that its application to experimental astrochemistry will uncover new data hitherto unknown which could aid in better linking laboratory work to observations and models.

Comment on Samulewski et al. Magnetite Synthesis in the Presence of Cyanide or Thiocyanate under Prebiotic Chemistry Conditions. Life 2020, 10, 34

Samulewski et al. (2020) [...]

Simple Ion–Gas Mixtures as a Source of Key Molecules Relevant to Prebiotic Chemistry

Very simple chemistry can result in the rapid and high-yield production of key prebiotic inorganic molecules. The two reactions investigated here involve such simple systems, (a) carbon disulfide (CS2) and acetate (CH3COO¯) and (b) sulfur dioxide (SO2) and formate (HCOO¯). They have been carried out under non-aqueous conditions, either in an organic solvent or with a powdered salt exposed to the requisite gas. Under such dry conditions the first reaction generated the thioacetate anion [CH3COS]¯ while the second produced the radical [SO2·]¯anion. Anhydrous conditions are not rare and may have arisen on the early earth at sites where an interface between different phases (liquid/gas or solid/gas) could be generated. This is one way to rationalize the formation of molecules and ions (such as we have produced) necessary in the prebiotic world. Interpretation of our results provides insight into scenarios consistent with the more prominent theories of abiogenesis.

Convection behind the Humidification of Titan’s Stratosphere

On Titan, methane is responsible for the complex prebiotic chemistry, the global haze, most of the cloud cover, and the rainfall that models the landscape. Its sources are located in liquid reservoirs at and below the surface, and its sink is the photodissociation at high altitude. Titan’s present and past climates strongly depend on the connection between the surface sources and the atmosphere upper layers. Despite its importance, very little information is available on this topic. In this work, we reanalyze two solar occultations made by Cassini before the northern spring equinox. We find a layer rich in methane at 165 km and at 70°S (mixing ratio 1.62% ± 0.1%) and a dryer background stratosphere (1.1%–1.2%). In the absence of local production, this reveals an intrusion of methane transported into the stratosphere by convective circulation. On the other hand, methane transport through the tropopause at a global scale appears quite inhibited. Leaking through the tropopause is an important bottleneck of Titan’s methane cycle at all timescales. As such, it affects the long-term evolution of Titan’s atmosphere and the exchange fluxes with the surface and subsurface reservoirs in a complex way. Global climate models accounting for cloud physics, thermodynamical feedbacks, and convection are needed to understand the methane cycle, and specifically the humidification of the stratosphere, at the present time, and its evolution under changing conditions at a geological timescale.