Histidine Self-assembly and Stability on Mineral Surfaces as a Model of Prebiotic Chemical Evolution: An Experimental and Computational Approach

AbstractThe aim of this work is to study the behaviour of hydrogen cyanide (HCN) adsorbed onto mineral surfaces (sodium montmorillonite, a clay mineral) in different pH environments as a possible prebiotic process for complexation of organics. Our experimental results show that specific sites on the surface of the clay increased the concentration of HCN molecules dependent on the pH values. Moreover, this adsorption can occur through physical and chemical interactions enhanced by the channel structure of the sodium montmorillonite. The three-dimensional channelling structure of the clay accumulates the organics, hindering the releasing (desorption) of the organic molecules. A molecular model developed here also confirms the role of the pH as a regulating factor in the adsorption of HCN onto the inorganic surfaces and the possibility for further reactions forming more complex molecules, as an abiotic mechanism important in prebiotic chemical evolution processes.

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Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies

Life ◽

10.3390/life9010010 ◽

2019 ◽

Vol 9 (1) ◽

pp. 10 ◽

Cited By ~ 14

Author(s):

Albert Rimola ◽

Mariona Sodupe ◽

Piero Ugliengo

Keyword(s):

Chemical Evolution ◽

In Silico ◽

Density Functional ◽

Quantum Mechanical ◽

Mineral Surfaces ◽

Chemical Complexity ◽

Organic Mineral ◽

Mechanical Methods ◽

Prebiotic Chemical

There is a consensus that the interaction of organic molecules with the surfaces of naturally-occurring minerals might have played a crucial role in chemical evolution and complexification in a prebiotic era. The hurdle of an overly diluted primordial soup occurring in the free ocean may have been overcome by the adsorption and concentration of relevant molecules on the surface of abundant minerals at the sea shore. Specific organic–mineral interactions could, at the same time, organize adsorbed molecules in well-defined orientations and activate them toward chemical reactions, bringing to an increase in chemical complexity. As experimental approaches cannot easily provide details at atomic resolution, the role of in silico computer simulations may fill that gap by providing structures and reactive energy profiles at the organic–mineral interface regions. Accordingly, numerous computational studies devoted to prebiotic chemical evolution induced by organic–mineral interactions have been proposed. The present article aims at reviewing recent in silico works, mainly focusing on prebiotic processes occurring on the mineral surfaces of clays, iron sulfides, titanium dioxide, and silica and silicates simulated through quantum mechanical methods based on the density functional theory (DFT). The DFT is the most accurate way in which chemists may address the behavior of the molecular world through large models mimicking chemical complexity. A perspective on possible future scenarios of research using in silico techniques is finally proposed.

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Toward Experimental Evolution with Giant Vesicles

Life ◽

10.3390/life8040053 ◽

2018 ◽

Vol 8 (4) ◽

pp. 53 ◽

Cited By ~ 6

Author(s):

Hironori Sugiyama ◽

Taro Toyota

Keyword(s):

Chemical Evolution ◽

Self Assembly ◽

Experimental Evolution ◽

Microfluidic Devices ◽

Future Perspective ◽

Cell Models ◽

Giant Vesicles ◽

Chemical Models ◽

Recent Developments ◽

Oil Emulsions

Experimental evolution in chemical models of cells could reveal the fundamental mechanisms of cells today. Various chemical cell models, water-in-oil emulsions, oil-on-water droplets, and vesicles have been constructed in order to conduct research on experimental evolution. In this review, firstly, recent studies with these candidate models are introduced and discussed with regards to the two hierarchical directions of experimental evolution (chemical evolution and evolution of a molecular self-assembly). Secondly, we suggest giant vesicles (GVs), which have diameters larger than 1 µm, as promising chemical cell models for studying experimental evolution. Thirdly, since technical difficulties still exist in conventional GV experiments, recent developments of microfluidic devices to deal with GVs are reviewed with regards to the realization of open-ended evolution in GVs. Finally, as a future perspective, we link the concept of messy chemistry to the promising, unexplored direction of experimental evolution in GVs.

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The Possible Roles of Water in the Prebiotic Chemical Evolution of DNA: An Approach by Single Molecule Studies

Evolutionary Biology: Exobiology and Evolutionary Mechanisms ◽

10.1007/978-3-642-38212-3_8 ◽

2013 ◽

pp. 109-123

Author(s):

Shuxun Cui

Keyword(s):

Chemical Evolution ◽

Single Molecule ◽

Prebiotic Chemical ◽

Single Molecule Studies

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Prediction of self-assembly of adenosine analogues in solution: a computational approach validated by isothermal titration calorimetry

Physical Chemistry Chemical Physics ◽

10.1039/c8cp05647a ◽

2019 ◽

Vol 21 (8) ◽

pp. 4258-4267 ◽

Cited By ~ 3

Author(s):

Luca Redivo ◽

Rozalia-Maria Anastasiadi ◽

Marco Pividori ◽

Federico Berti ◽

Maria Peressi ◽

...

Keyword(s):

Isothermal Titration Calorimetry ◽

Self Assembly ◽

Computational Approach ◽

Titration Calorimetry ◽

Cognitive Enhancers ◽

Adenosine Analogues ◽

Therapeutic Drugs

The recent discovery of the role of adenosine-analogues as neuroprotectants and cognitive enhancers has sparked interest in these molecules as new therapeutic drugs.

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Primordial Radioactivity and Prebiotic Chemical Evolution: Effect of γ Radiation on Formamide-Based Synthesis

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c05233 ◽

2020 ◽

Vol 124 (41) ◽

pp. 8951-8959

Author(s):

Adam Pastorek ◽

Martin Ferus ◽

Václav Čuba ◽

Ondřej Šrámek ◽

Ondřej Ivanek ◽

...

Keyword(s):

Chemical Evolution ◽

Γ Radiation ◽

Prebiotic Chemical ◽

Evolution Effect

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Organic matter in carbonaceous meteorites: past, present and future research

Philosophical Transactions of The Royal Society A Mathematical Physical and Engineering Sciences ◽

10.1098/rsta.2005.1670 ◽

2005 ◽

Vol 363 (1837) ◽

pp. 2729-2742 ◽

Cited By ~ 30

Author(s):

Mark A Sephton

Keyword(s):

Organic Matter ◽

Solar System ◽

Chemical Evolution ◽

Chemical Environment ◽

Future Research ◽

Organic Chemical ◽

Early Solar System ◽

Organic Mixtures ◽

Prebiotic Chemical ◽

Life On Earth

Carbonaceous meteorites are fragments of ancient asteroids that have remained relatively unprocessed since the formation of the Solar System. These carbon-rich objects provide a record of prebiotic chemical evolution and a window on the early Solar System. Many compound classes are present reflecting a rich organic chemical environment during the formation of the planets. Recent theories suggest that similar extraterrestrial organic mixtures may have acted as the starting materials for life on Earth.

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