Taphonomic signatures,ichnofacies analysis and depositional dynamics of fossil macro-invertebrate assemblages of the San Juan Raya Formation,Zapotitlán Basin,Puebla, Mexico

In this paper, we describe the taphofacies and ichnofacies from Aptian strata of the San Juan Raya Formation in the Santa Ana Teloxtoc area, Puebla, Mexico. A composite stratigraphic section was analysed on a bed-by-bed scale up to a total thickness of 765.5 m. Our results show the presence of 10 taphofacies and 3 ichnofacies. The taphofacies and ichnofacies interpretation, and its correlation with the sedimentary lithofacies, enabled the determination of a palaeoenvironmental model for the study area that corresponds to a shallow marine, open-coast, clastic system with episodic sedimentation as a product of storm events. This system had several variations in sub-environments, from foreshore to offshore. Foreshore and shoreface environments are characterised by taphofacies Tf1, Tf2, Tf3 and Tf10 and PsI and SkI ichnofacies, representing lower faunal diversity moments (with the exception of Tf3 taphofacies). Meanwhile, taphofacies Tf4, Tf5, Tf6, Tf7, Tf8 and Tf9 were representative of shelf environments and are described as moments of medium-to-high faunal diversity (with the exception of Tf5 taphofacies).     

A new blunt-snouted dyrosaurid,Anthracosuchus balrogus gen. et sp. nov. (Crocodylomorpha,Mesoeucrocodylia), from the Palaeocene of Colombia

A new exceptionally brevirostrine dyrosaurid is described from the middle Palaeocene (58–60 million years ago) Cerrejón Formation, northeastern Colombia, based on four partial skulls and associated postcrania. This taxon is unique among dyrosaurids not only in skull shape, but also in having orbital tuberosities, and osteoderms that are dorsoventrally thick and unpitted, a trait otherwise unknown in Crocodylomorpha. Results from a cladistic analysis of Dyrosauridae suggest that the new taxon, together with Cretaceous–Palaeocene Chenanisuchus lateroculi from Africa and Cerrejonisuchus improcerus also from the Cerrejón Formation, are the most basal members of the family. Results from a biogeographic analysis indicate at least three independent dispersals of dyrosaurids from Africa to the New World occurred in the Late Cretaceous or early Palaeocene. Widely set orbits in the new taxon indicate a deviation from surface-based predation, characteristic of other dyrosaurids, to sub-surface predation, as in modern Gavialis. Tooth impressions found on turtle shells recovered from the same locality match well with teeth of the new taxon indicating possible predation.http://www.zoobank.org/urn:lsid:zoobank.org:pub:AB2B24A5-27CC-4D3F-B580-F11F17851CE6     

Reproductive system morphology of Lightiella magdalenina (Crustacea,Cephalocarida): functional and adaptive implications

The reproductive systems of adults and larvae of Lightiella magdalenina were examined. Lightiella magdalenina, similar to the best-known cephalocarida species Hutchinsoniella macracantha, is a simultaneous hermaphrodite. Although the morphology of their reproductive system is similar, L. magdalenina differs from H. macracantha in exhibiting reduced fecundity: it lays one egg, not two, per reproductive event. This is due to asynchronous development of the oocytes inside the paired female reproductive structures, which determines the maturation of a single egg at a time. The reduced fecundity of L. magdalenina could be offset by the precocious release of oocytes from the germarium, which begins the vitellogenetic process during the last larval stages. Due to this process, after their last moult, reproductive adults can have a large number of advanced vitellogenic oocytes, reducing the time required for their maturation. A possible adaptive relationship between the halved fecundity with pre- and post-hatching parental care is discussed.     

Magnetic fields suppress Pseudomonas aeruginosa biofilms and enhance ciprofloxacin activity

Due to the refractory nature of pathogenic microbial biofilms, innovative biofilm eradication strategies are constantly being sought. Thus, this study addresses a novel approach to eradicate Pseudomonas aeruginosa biofilms. Magnetic nanoparticles (MNP), ciprofloxacin (Cipro), and magnetic fields were systematically evaluated in vitro for their relative anti-biofilm contributions. Twenty-four-hour biofilms exposed to aerosolized MNPs, Cipro, or a combination of both, were assessed in the presence or absence of magnetic fields (Static one-sided, Static switched, Oscillating, Static + oscillating) using changes in bacterial metabolism, biofilm biomass, and biofilm imaging. The biofilms exposed to magnetic fields alone exhibited significant metabolic and biomass reductions (p < 0.05). When biofilms were treated with a MNP/Cipro combination, the most significant metabolic and biomass reductions were observed when exposed to static switched magnetic fields (p < 0.05). The exposure of P. aeruginosa biofilms to a static switched magnetic field alone, or co-administration with MNP/Cipro/MNP + Cipro appears to be a promising approach to eradicate biofilms of this bacterium.     

Isolation and metagenomic characterization of bacteria associated with calcium carbonate and struvite precipitation in a pure moving bed biofilm reactor-membrane bioreactor

A bench-scale pure moving bed bioreactor-membrane bioreactor (MBBR-MBR) used for the treatment of urban wastewater was analyzed for the identification of bacterial strains with the potential capacity for calcium carbonate and struvite biomineral formation. Isolation of mineral-forming strains on calcium carbonate and struvite media revealed six major colonies with a carbonate or struvite precipitation capacity in the biofouling on the membrane surface and showed that heterotrophic bacteria with the ability to precipitate calcium carbonate and struvite constituted ~7.5% of the total platable bacteria. These belonged to the genera Lysinibacillus, Trichococcus, Comamomas and Bacillus. Pyrosequencing analysis of the microbial communities in the suspended cells and membrane biofouling showed a high degree of similarity in all the samples collected with respect to bacterial assemblage. The study of operational taxonomic units (OTUs) identified through pyrosequencing suggested that ~21% of the total bacterial community identified in the biofouling could potentially form calcium carbonate or struvite crystals in the pure MBBR-MBR system used for the treatment of urban wastewater.     

Combined monitor for direct and indirect measurement of biofouling

Biofouling is one of the most important problems associated with heat exchangers, leading to a loss of thermal performance in their cycle. To maintain them in optimum working condition, biofouling must be kept under control and, to do so, instrumentation is required for its monitoring. The development of the biofouling layer can be qualitatively followed, but only during maintenance shutdown periods is it possible to attain a quantitative assessment. The CMDIMB [Combined Monitor for Direct and Indirect Measurement of Biofouling] was conceived as a means of discovering the evolution of the frictional resistance (f) and the heat transfer resistance (R _f) of a fluid because these are variables that indirectly define the biofouling deposited in the tubes of a seawater-cooled heat exchanger. They likewise serve to directly indicate its mass and thickness according to the total solid matter adhered over time. The results obtained allowed the values of the variables taken by the CMDIMB to be extrapolated to the heat exchanger that was set up in parallel. The CMDIMB is proposed as a highly useful tool for directly and indirectly monitoring biofouling growth in heat exchangers that do not possess the necessary instrumentation to monitor this phenomenon.     

Properties of Confined Square-well Fluids using the Gibbs Ensemble Simulation Technique

In this work we have used the extension of the Gibbs ensemble simulation technique to inhomogeneous fluids [Panagiotopoulos, A.Z. (1987) "Adsorption and capillary condensation of fluid in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble", Mol. Phys. , 62 (3), 701-719], which has been applied to adsorption phenomena of confined fluids. Fluid molecules are described by spherical particles interacting via a square-well potential. The fluid is confined in two types of walls: symmetrical (two hard walls) and non-symmetrical (one square-well wall and one hard wall). In order to analyze the behavior of the confined fluid by varying the potential parameters, we evaluated the bulk and confined densities, the internal energies and the density profiles for different supercritical temperatures. A variety of adsorption profiles can be obtained by using this model. The simulation data reported here complements the available simulation data for this system and can be useful in the development of inhomogeneous fluid theories. Since the square-well parameters can be related to real molecules this system can also be used to understand real adsorption systems.     

Molecular dynamics simulations of submonolayer hexane and pentane films on graphite

We present results of molecular dynamics computer simulations of hexane (C₆H₁₄ or C6) and pentane (C₅H₁₂ or C5) adlayers physisorbed onto a graphite substrate, for various submonolayer coverages. The hexane and pentane molecules incorporate explicit hydrogens and the graphite is modelled as a six-layer all-atom structure. Even though C6 and C5 have different structures at monolayer completion, both systems generally behave similarly in the submonolayer regime and results are in reasonable agreement with experiment for both systems. Specifically, there are four distinct topological regimes involving empty space: at densities closest to full coverage, there are large domains with individual vacancies, then with decreasing density, large vacancy patches appear first, followed by the formation of connected networks of smaller domains with multiple orientations that ultimately separate into individual patches. The energetics and melting behaviour of all systems are readily understood within the framework of the topology presented at various densities.     

Homology modelling,virtual screening and molecular dynamics of the MARK3 KA1 domain for cancer drug design

Structural homology modelling was done with the software AMPS, MODELLER, PROCHECK, WHATIF AND VERIFY-3D to generate a quality model of human MARK3. Macromolecular docking simulations seem to confirm recent data in the literature and in MARK3 there does not occur intramolecular interactions between the associated kinase domain KA1 and the catalytic domain. Using virtual screening, we were able to identify and suggest the principal residues of MARK3 which interact with the ligands in addition to those reported in the literature. The pharmacophoric model obtained from Discovery Studio coincides with those obtained by molecular interaction fields, indicating the principal ligand residues of the MARK3 KA1 domain. Using virtual screening with pharmacophoric constraints as well as molecular dynamics, the most stable compounds in the ligand site as well as their potential toxicities were used to select potential inhibitors for further in vitro and in vivo investigations of human MARK3 KA1 domain, which could eventually pass to the market to be used for the treatment of head and neck cancer.     

Effect of thiol-functionalised silica on cisplatin adsorption

This study contributes to the investigation related to guest–host interactions between the chemotherapeutic agent cisplatin and a functionalised silica matrix in order to improve and find new materials such as drug carriers. The adsorption of cisplatin and its complexes, cis-[PtCl(NH₃)₂]⁺ and cis-[Pt(NH₃)₂]²⁺, on a SH-functionalised SiO₂(111) surface has been studied by the atom superposition and electron delocalisation method. The adiabatic energy curves for the adsorption of the drug and its products on the delivery system were considered. The electronic structure and bonding analysis were also performed. The molecule and their complex are adsorbed on the functionalised surface resulting in a major absorption of the cis-[Pt(NH₃)₂]²⁺ complex. The molecule–surface interactions are formed via –SH group. The molecule/complexes SH electron-donating effect plays an important role in the catalytic reaction. The more important drug–carrier interactions occur through the Cl–H bond for the adsorption of cis-[PtCl₂(NH₃)₂] and cis-[PtCl(NH₃)₂]⁺, and through the Pt–S and Pt–H interactions for cis-[Pt(NH₃)₂]²⁺ adsorption. When the new interactions are formed, the functionalised carrier maintains their matrix properties while the molecule is the most affected after adsorption. The Pt atomic orbitals present the most important changes during adsorption.