New holozoans with cellular resolution from the early Ediacaran Weng'an Biota, Southwest China

The embryo-like fossils from the early Ediacaran Weng'an Biota (Southwest China, 609 million years ago), widely interpreted as members of holozoans, potentially provide insights to understanding the early evolution of development of metazoans and the rise of the animal kingdom. However, the biodiversity of the embryo-like fossil assemblage is largely underestimated, and its more precise phylogenetic affinities within the holozoan tree are still under debate. Here we describe a new species of embryo-like fossil Ostiosphaera rara n. gen. n. sp. from the Ediacaran Weng'an Biota. These three-dimensional, phosphatized specimens exhibit a spherical morphology, an ornamented thick envelope with a circular opening and a membrane-bounded, multicellular inner body. In terms of biological characteristics, Ostiosphaera rara show similarities to a number of extant and fossil analogues including testate amoebae, unicellular green algae, cellular slime mold Fonticuida and co-occurring Weng'an embryo-like fossils. Although the phylogenetic affinity of Ostiosphaera rara is difficult to constrain very precisely based on the available evidence, it is reasonable to follow the holozoan interpretation for them, since that they share the same grade complexity with the co-occurring embryo-like fossils such as Megasphaera and Helicoforamina in terms of the combination of biological features. It is worth mentioning that the new holozoans resemble asexual reproductive gemmules of fossil and living demosponges in size, morphology, circular opening, and cellular anatomy. If the similarity between them reflects biological affinity rather than convergent evolution, this discovery would force us to rethink the evolutionary history of Precambrian sponges.Thematic collection: This article is part of the Advances in the Cambrian Explosion collection available at: https://www.lyellcollection.org/cc/advances-cambrian-explosion

Three new chrysophycean stomatocysts with long spines from the Gulf of Finland, Baltic Sea

Three new morphotypes of chrysophycean stomatocysts with long spines are described following International Statospore Working Group (ISWG) guidelines and illustrated by SEM micrographs. Differences of our new morphotypes from known stomatocysts are discussed. Their biological affinity is currently unknown.

Aqueous mechano-bactericidal action of acicular aragonite crystals

Nanoneedle structures on dragonfly and cicada wing surfaces or black silicon nanoneedles demonstrate antibacterial phenomena, namely mechano-bactericidal action. These air-exposed, mechano-bactericidal surfaces serve to destroy adherent bacteria, but their bactericidal action in the water is no precedent to report. Calcium carbonate easily accumulates on solid surfaces during long-term exposure to hard water. We expect that aragonite nanoneedles, in particular, which grow on TiO2 during the photocatalytic treatment of calcium-rich groundwater, exhibit mechano-bactericidal action against bacteria in water. Here, we showed that acicular aragonite modified on TiO2 ceramics prepared from calcium bicarbonate in mineral water by photocatalysis exhibits mechanical bactericidal activity against E. coli in water. Unmodified, calcite-modified and aragonite-modified TiO2 ceramics were exposed to water containing E. coli (in a petri dish), and their bactericidal action over time was investigated under static and agitated conditions. The surfaces of the materials were observed by scanning electron microscopy, and the live/dead bacterial cells were observed by confocal laser scanning microscopy. As a result, the synergistic bactericidal performance achieved by mechano-bactericidal action and photocatalysis was demonstrated. Aragonite itself has a high biological affinity for the human body different from the other whisker-sharpen nanomaterials, therefore, the mechano-bactericidal action of acicular aragonite in water is expected to inform the development of safe water purification systems for use in developing countries.

Synthesis, Electronic Structure and Anti-Cancer Activity of the Phenyl Substituted Pyrazolo[1,5-a][1,3,5]triazines

: Background: Synthesis of a series of 2-(dichloromethyl)pyrazolo[1,5- a][1,3,5]triazines was carried out and evaluated in vitro for their anticancer activity against a panel of 60 cell lines derived from nine cancer types. The joint quantum-chemical and experimental study of the influence of the extended πconjugated phenyl substituents on the electron structure of the pyrazolo[1,5-a][1,3,5]triazines as Pharmacophores were performed. It is shown that the decrease in the barriers to the rotation of phenyl substituents in compounds 1-7 possibly leads to an increase in the anti-cancer activity, which is in agreement with the change in the parameter biological affinity ϕ0. Analysis of the S0 → S1 electronic transitions (π→π*) of the pyrazolo[1,5-a][1,3,5]triazines shows that an increase in their intensity correlates with anti-cancer activity. Thus, the introduction of phenyl substituents increases the likelihood of investigated pyrazolo[1,5-a][1,3,5]triazines interacting with protein molecules (Biomolecule) by the π stacking mechanism. In both methyl and phenyl derivatives of pyrazolo[1,5-a][1,3,5]triazines, the second electronic transition includes the n-MO (the level of the lone electron pair in two-coordinated nitrogen atoms). The highest intensity of the η→π* electronic transition is observed in pyrazolo[1,5-a][1,3,5]triazine with pyridine residue, which does not exhibit anti-cancer activity, but exhibits antiviral activity [13]. It can be assumed that the possibility of the formation of [Pharmacophore-Biomolecule] complex by hydrogen bonding ([H-B]) mechanism with protein molecules increases.

Diversified calcimicrobes in dendrolites of the Zhangxia Formation, Miaolingian Series (Middle Cambrian) of the North China craton

As a type of non-laminated microbial carbonates, dendrolites are dominated by isolated dendritic clusters of calcimicrobes and are distinct from stromatolites and thrombolites. The dendrolites in the upper part of the Miaolingian Zhangxia Formation at Anjiazhuang section in Feicheng city of Shandong Province, China, provide an excellent example for further understanding of both growth pattern and forming mechanism of dendrolites. These dendrolites are featured by sedimentary fabrics and composition of calcified microbes as follows. (1) The strata of massive limestones, composed of dendrolites with thickness of more than one hundred meters, intergrade with thick-bedded to massive leiolites, formimg the upper part of a third-order depositional sequence that constitutes a forced regressive systems tract. (2) A centimeter-sized bush-like fabric (shrub) typically produced by calcified microbes is similar to the mesoclot in thrombolites but distinctive from clotted fabrics of thrombolites. This bush-like fabric is actually constituted by diversified calcified microbes like the modern shrub as a result of gliding mobility of filamentous cyanobacteria. Such forms traditionally include: the Epiphyton group (which actually has uncertain biological affinity), the Hedstroemia group which closely resembles modern rivulariacean cyanobacteria, and the possible calcified cyanobacteria of the Lithocodium–Bacinella group. (3) Significantly, dense micrite of leiolite is associated with sponge fossils and burrows, and is covered by microstromatolite. The Lithocodium–Bacinella group is a controversial group of interpreted calcified cyanobacteria in the Cambrian that has also been widely observed and described in the Mesozoic. Therefore, dendrolites with symbiosis of leiolites in the studied section provide an extraordinary example for further understanding of growing style of bush-like fabrics (shrubs) of the dendrolites dominated by cyanobacterial mats. Furthermore, the present research provides some useful thinking approaches for better understanding of the history of the Early Paleozoic skeletal reefs and the microbe–metazoan transitions of the Cambrian.

In situ filamentous communities from the Ediacaran (approx. 563 Ma) of Brazil

Precambrian filamentous microfossils are common and diverse. Nevertheless, their taxonomic assignment can be difficult owing to their overall simple shapes typically lacking in diagnostic features. Here, we report in situ communities of well-preserved, large filamentous impressions from the Ediacaran Itajaí Basin ( ca 563 Ma) of Brazil. The filaments are uniserial (unbranched) and can reach up to 200 µm in width and up to 44 mm in length. They occur as both densely packed or sparsely populated surfaces, and typically show a consistent orientation. Although simple in shape, their preferred orientation suggests they were tethered to the seafloor, and their overall flexibility (e.g. bent, folded and twisted) supports a biological (rather than sedimentary) affinity. Biometric comparisons with modern filamentous groups further support their biological affinity, suggesting links with either large sulfide-oxidizing bacteria (SOB) or eukaryotes. Other morphological and palaeoecological characteristics further corroborates their similarities with modern large filamentous SOB. Their widespread occurrence and association with complex Ediacaran macrobiota (e.g. frondose organisms, Palaeopascichnus ) suggest that they probably played an important role in the ecological dynamics of these early benthic communities by providing firm substrates for metazoans to inhabit. It is further hypothesized that the dynamic redox condition in the latest Ediacaran, with the non-continuous rise in oxygen concentration and periods of hypoxia, may have created ideal conditions for SOB to thrive.

The Cuticles of (?) Thylacocephalan Arthropod from the Basal Choteč Event (Choteč Formation, Eifelian; Barrandian Area, Czech Republic)

Small fragments of phosphatic cuticle have been observed in dark limestone of the early Eifelian age (Choteč Formation) in the interval of the Basal Choteč Event. The cuticle is two-layered, primarily folded, with a chamber between outer and inner walls. Fragments likely represent small cuticle pieces from the margins of the carapace. The exterior of the cuticle is nearly smooth bearing irregular network of wrinkled polygons or shallow pits. Low conical mound-like to high thorn-like spines with annular structure extend from both outer and inner surface of cuticle. Wrinkled and folded bases of these spines indicate moderate flexibility of cuticle. Spines are hollow, the higher ones often with apical opening. The inner surface of carapace carries smaller spines or is nearly smooth. Chamber walls inside the cara-pace are with folds and other structures supporting stiffness of the cuticle. The internal walls of the cuticle are covered by polygonal bumps. These uniformly sized and shaped bumps are about 1 μm sized and likely represents imprints of the epithelial cells adjoined to the basal membranous layer of endocuticle.Biological affinity of cuticle fragments is unclear. They surely represent pieces of the arthropod cara-pace, the most probably a thylacocephalan. Associated fossils indicate a deeper marine environment. Bloom of prasinophytes, abundance of dacryoconarids and organophosphatic brachiopods, and striking rarity and diminutive size of other fauna indicate eutrophic conditions in a neritic sea, likely with hypoxic bottom water. Nectonic mode of life in open sea can be suggested for an animal bearing this cuticle.

Diversity Oriented Deep Reinforcement Learning for Targeted Molecule Generation

In this work, we explore the potential of deep learning to streamline the process of identifying new potential drugs through the computational generation of molecules with interesting biological properties. Two deep neural networks compose our targeted generation framework: the Generator, which is trained to learn the building rules of valid molecules employing SMILES strings notation, and the Predictor which evaluates the newly generated compounds by predicting their affinity for the desired target. Then, the Generator is optimized through Reinforcement Learning to produce molecules with bespoken properties. The innovation of this approach is the exploratory strategy applied during the reinforcement training process that seeks to add novelty to the generated compounds. This training strategy employs two Generators interchangeably to sample new SMILES: the initially trained model that will remain fixed and a copy of the previous one that will be updated during the training to uncover the most promising molecules. The evolution of the reward assigned by the Predictor determines how often each one is employed to select the next token of the molecule. This strategy establishes a compromise between the need to acquire more information about the chemical space and the need to sample new molecules, with the experience gained so far. To demonstrate the effectiveness of the method, the Generator is trained to design molecules with high inhibitory power for the adenosine A2A and κ opioid receptors. The results reveal that the model can effectively modify the biological affinity of the newly generated molecules towards the craved direction. More importantly, it was possible to find auspicious sets of unique and diverse molecules, which was the main purpose of the newly implemented strategy.