Characterization of selective antibacterial peptides by polarity index.

In the recent decades, antibacterial peptides have occupied a strategic position for pharmaceutical drug applications and became subject of intense research activities since they are used to strengthen the immune system of all living organisms by protecting them from pathogenic bacteria. This work proposes a simple and easy statistical/computational method through a peptide polarity index measure by which an antibacterial peptide subgroup can be efficiently identified, that is, characterized by a high toxicity to bacterial membranes but presents a low toxicity to mammal cells. These peptides also have the feature not to adopt to an alpha-helicoidal structure in aqueous solution. The double-blind test carried out to the whole Antimicrobial Peptide Database (November 2011) showed an accuracy of 90% applying the polarity index method for the identification of such antibacterial peptide groups.

Prebiotic thermal polymerization of crystals of amino acids via the diketopiperazine reaction.

In this work, we continue our studies on the thermal prebiotic oligomerization of amino acids. The next step is to consider all four types of electromagnetic interactions that our model may admit. In addition, only the polymerization of amino acids via the formation of diketopiperazine, which arises from the cyclodehydration of two amino acids, will be considered. By assuming that only one residue group of two will predominate in the diketopiperazine molecule, it is possible to reduce the three-body problem to a simpler situation with the two objects that we have already solved.

Sites of adsorption of adenine, uracil, and their corresponding derivatives on sodium montmorillonite.

Clay minerals are considered important to chemical evolution processes due to their properties, ancient origin, and wide distribution. To extend the knowledge of their role in the prebiotic epoch, the adsorption sites of adenine, adenosine, AMP, ADP, ATP, Poly A, uracil, uridine, UMP, UDP, UTP and Poly U on sodium montmorillonite are investigated. X-ray diffraction, ultraviolet and infrared spectroscopy studies indicate that these molecules distribute into the interlamellar channel and the edge of the clay crystals. Monomers are adsorbed predominantly in the interlamellar channel, whereas polymers adsorb along the crystal edges. Such behavior is discussed mainly in terms of bulk pH, pK(a) of the adsorbate, and Van der Waals interactions.

Biased polymers in the origin of life.

We delve into the study of a Markov chain formalism applied to the thermal prebiotic oligomerization of amino acids. We find for the case of only two types of electromagnetic interactions, that the steady state attainment by the Markov chain is a built in mechanism limiting the expected variability in sequences in a population of polymers. Such result may be of importance as it makes more accessible the replication of a minimal chemical machinery compatible with life.

A simple model of the thermal prebiotic oligomerization of amino acids.

We construct a probabilistic model with the aid of the Markov chain formalism to describe and give a physico-chemical justification to an oligomerization process of a set of amino acids under certain prebiotic conditions. Such chemical process shows a remarkable bias in the polymer products that our model can explain. Some predictions and limitations are also discussed.

A review of conditions affecting the radiolysis due to 40K on nucleic acid bases and their derivatives adsorbed on clay minerals: implications in prebiotic chemistry.

This paper describes the possible effects of ionizing radiation arising from long-lived soluble radionuclides within clays, in particular 40K, at the epoch of the emergence of life on Earth. The free dispersion of soluble radionuclides constitutes an effective in situ irradiation mechanism that might have acted upon adsorbed nucleic bases and their derivatives on clays, inducing chemical changes on these organic molecules. Several types of well documented reactions for radiolysis of nucleic acid bases and their derivatives are known, even at low doses (i.e., 0.1 Gy). For example, estimates with a dose rate calculated from 40K from deep sea clays at 3.8 Ga ago, indicates that over a period of 1000 years the amount of organic material transformated is 1.8 X 10(-7) moles/kg-clay. Although ionizing radiation may also induce synthetic reactions with prebiological interest, all in all these considerations indicate that nucleic acid bases and their derivatives adsorbed on clays were exposed for long periods to degradation conditions. Such situation promotes decomposition of organic molecules rather than protection of them and enhancement of farther polymerization, as it has been usually taken for granted.

On the origin of life event.

On the assumption of a uniform sample space probability hypothesis it is estimated a maximum number of polypeptides (or other kind of polymers) that could be synthesized in the prebiotic Earth. Besides, on the basis of five premises that are postulated as indispensable requirements for the origin of a living system, under the constraints of a protein-nucleic acid chemistry, it is concluded categorically that the origin of life event could not be the result of unbiased polymerization phenomena. On the contrary, biased and specific patterns of polymerization had to be an essential component in this fundamental event. Finally, several theories on the origin of life and complementary concepts like hypercyclic organization and self-organization phenomena in dissipative structures are discussed in the light of the conclusions arrived at in this work.