In Silico Investigation of Potential Applications of Gamma Carbonic Anhydrases as Catalysts of CO2 Biomineralization Processes: A Visit to the Thermophilic Bacteria Persephonella hydrogeniphila,Persephonella marina,Thermosulfidibacter takaii,and Thermus thermophilus

Carbonic anhydrases (CAs) have been identified as ideal catalysts for CO₂ sequestration. Here, we report the sequence and structural analyses as well as the molecular dynamics (MD) simulations of four γ-CAs from thermophilic bacteria. Three of these, Persephonella marina, Persephonella hydrogeniphila, and Thermosulfidibacter takaii originate from hydrothermal vents and one, Thermus thermophilus HB8, from hot springs. Protein sequences were retrieved and aligned with previously characterized γ-CAs, revealing differences in the catalytic pocket residues. Further analysis of the structures following homology modeling revealed a hydrophobic patch in the catalytic pocket, presumed important for CO₂ binding. Monitoring of proton shuttling residue His69 (P. marina γ-CA numbering) during MD simulations of P. hydrogeniphila and P. marina’s γ-CAs (γ-PhCA and γ-PmCA), showed a different behavior to that observed in the γ-CA of Escherichia coli, which periodically coordinates Zn²⁺. This work also involved the search for hotspot residues that contribute to interface stability. Some of these residues were further identified as key in protein communication via betweenness centrality metric of dynamic residue network analysis. T. takaii’s γ-CA showed marginally lower thermostability compared to the other three γ-CA proteins with an increase in conformations visited at high temperatures being observed. Hydrogen bond analysis revealed important interactions, some unique and others common in all γ-CAs, which contribute to interface formation and thermostability. The seemingly thermostable γ-CA from T. thermophilus strangely showed increased unsynchronized residue motions at 423 K. γ-PhCA and γ-PmCA were, however, preliminarily considered suitable as prospective thermostable CO₂ sequestration agents.     

Impacts of Sewers on Groundwater Quality

This paper summarizes the findings of a recent research project on groundwater contamination from leaking sewers, which was completed for the Construction Industry Research and Information Association. Fifty-four incidents were identified in England and Wales from a combined questionnaire survey and literature review. In addition to recorded incidents, the poor quality of many urban groundwaters suggests some effects from leaking sewers. Age is considered to be the most significant characteristic governing leakage from sewers; ground conditions (predominantly aquifer vulnerability) and usage (private versus public ownership) are also important factors relating to the likelihood of groundwater pollution from leaking sewers. Recommended strategies for reducing groundwater contamination include (a) modification of existing criteria for the service performance grading of existing sewers, (b) improved construction of new sewers in appropriate areas, (c) increased groundwater monitoring, and (d) risk assessments for new groundwater sources.     

Direct Chemical Activation of a Rationally Engineered Signaling Enzyme

Few chemical strategies for activating enzymes have been developed. Here we show that a biarsenical compound (FlAsH) can directly activate a rationally engineered protein tyrosine phosphatase (Shp2 PTP) by disrupting autoinhibitory interactions between Shp2's N‐terminal SH2 domain and its PTP domain. We found that introducing a tricysteine motif at a loop of Shp2's N‐SH2 domain confers affinity for FlAsH; binding of FlAsH to the cysteine‐enriched loop relieves Shp2's inhibitory interdomain interaction and substantially increases the enzyme's PTP activity. Activation of engineered Shp2 is substrate independent and is observed in the contexts of both purified enzyme and complex proteomes. A chemical means for activating Shp2 could be useful for investigating its roles in signaling and oncogenesis, and the loop‐targeting strategy described herein could provide a blueprint for the development of target‐specific activators of other autoinhibited enzymes.     

Development of the Fray-Farthing-Chen Cambridge Process: Towards the Sustainable Production of Titanium and Its Alloys

The Kroll process has been employed for titanium extraction since the 1950s. It is a labour and energy intensive multi-step semi-batch process. The post-extraction processes for making the raw titanium into alloys and products are also excessive, including multiple remelting steps. Invented in the late 1990s, the Fray-Farthing-Chen (FFC) Cambridge process extracts titanium from solid oxides at lower energy consumption via electrochemical reduction in molten salts. Its ability to produce alloys and powders, while retaining the cathode shape also promises energy and material efficient manufacturing. Focusing on titanium and its alloys, this article reviews the recent development of the FFC-Cambridge process in two aspects, (1) resource and process sustainability and (2) advanced post-extraction processing.     

Global radionavigation and location systems for tracking marine mammals

Over the past decade the Argos System has become a widely used tool for animal tracking. This paper investigates whether lower costs and energy requirements could be achieved by alternative techniques. These include the global radionavigation systems GPS and Omega which employ low-powered receivers rather than the high-powered transmitters of Argos. A variety of systems are studied and their costs and energy requirements modelled within specific marine mammal tracking scenarios. This paper presents a fundamental analysis exploring current and future options available to researchers who need to track marine mammals.     

A displacement‐based finite element formulation for general polyhedra using harmonic shape functions

A displacement‐based continuous‐Galerkin finite element formulation for general polyhedra is presented for applications in nonlinear solid mechanics. The polyhedra can have an arbitrary number of vertices or faces. The faces of the polyhedra can have an arbitrary number of edges and can be nonplanar. The polyhedra can be nonconvex with only the mild restriction of star convexity with respect to the vertex‐averaged centroid. Conforming shape functions are constructed using harmonic functions defined on the undeformed configuration, thus requiring the use of a total‐Lagrangian finite element formulation in large deformation applications. For nonlinear applications with computationally intensive constitutive models, it is important to minimize the number of element quadrature points. For this reason, an integration scheme is adopted in which the number of quadrature points is equal to the number of vertices. As a first step toward verifying the element behavior in the general nonlinear setting, several linear verification examples are presented using both random Voronoi meshes and distorted hexahedral meshes. For the hexahedral meshes, results for the polyhedral formulation are compared to those of the standard trilinear hexahedral formulation. The element behavior in the nearly incompressible regime is also examined. Copyright © 2013 John Wiley & Sons, Ltd.     

An S-shaped relationship between changes in appraisals and changes in emotions.

Previous research on appraisal theories of emotion has shown that emotions and appraisals are related but has not specified the nature of the relationships. This research examined the functional forms of appraisal-emotion relationships and demonstrated that for all seven appraisals studied, appraisals relate to emotions in an S-shaped (ogival) fashion: Changes in appraisals at extreme levels are associated with only small changes in emotions, but changes at moderate levels are associated with substantial changes in emotions. With a few exceptions, ogival relationships were found for the relationships between seven appraisals (Goal Achievement Expectancy, Agency, Control, Certainty, Fairness, Pleasantness, and Motive Congruence) and numerous relevant emotions across different sample-types, cultures, and methods. (PsycINFO Database Record (c) 2010 APA, all rights reserved)