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.     

Heterogeneity in Youth Symptom Trajectories Following Psychiatric Crisis: Predictors and Placement Outcome.

The authors examined heterogeneity in symptom trajectories among youths following psychiatric crises as well as the psychosocial correlates and placement outcomes associated with identified trajectories. Using semiparametric mixture modeling with 156 youths approved for psychiatric hospitalization, the authors identified 5 trajectories based on symptoms over the 16 months following crisis: high improved, high unimproved, borderline improved, borderline unimproved, and subclinical. Membership in unimproved symptom groups was associated with less suicidality, younger age, more youth hopelessness, and more caregiver empowerment. Improved symptom group membership predicted long-term decreases in days in out-of-home placements. More important, and in contrast with general impressions from the existing literature, findings suggest that a substantive proportion of youths with serious emotional disturbance sustain high levels of symptomatology following intensive mental health services. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

The likelihood of violent behaviour: Predictions, postdictions, and hindsight bias.

Studied the effects of variations in base rate (BR) information and temporal context on predictions of violence and hindsight bias (HB). 270 undergraduates estimated the likelihood of violent offenders committing another violent offense based upon fictitious case history information. Ss were given 1 of 2 population BRs of the likelihood of reoffending (30% or 70%) and a recidivism estimation question that was phrased either predictively, predictively with a given outcome of either recidivism or no recidivism, or postdictively. Although different offenders were perceived as differentially likely to reoffend, estimated likelihood of recidivism was affected by neither BR nor temporal phrasing of the estimation task. A 2nd study of 182 undergraduates, using shorter case histories, also found no BR effect. HB effects were weak and inconsistent in both studies. (French abstract) (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Over-production of 5-enolpyruvylshikimate-3-phosphate synthase in Escherichia coli: use of the T7 promoter

5-Enolpyruvylshikimate-3-phosphate (EPSP) synthase, the productof the Escherichia coli aroA gene, has been overproduced inE.coli BL21(DE3) under the control of the T7 gene 10 promoterand ribosome binding site, to a level of {small tilde}50% oftotal cell protein. EPSP synthase is the primary target of thepost-emergence herbicide, glyphosate, commonly known as Roundup^TM.A simple two step purification is described, which results in99% pure homogeneous protein (as determined by PAGE). The integrityof the protein has been compared with previously characterizedprotein from .E.coli AB2829(pKD501) by determination of itskinetic parameters, N-terminal protein and DNA sequences, aminoacid analysis and ¹³C-NMR spectroscopy. This new overproducingstrain readily provides the gram quantities of highly pure proteinrequired for NMR studies of the active site and the developmentof novel time-resolved solid-state NMR techniques currentlyunderway in this laboratory.     

Torrefied agro-industrial residue as filler in natural rubber compounds

This study explored the feasibility of using torrefied biomass as a reinforcing filler in natural rubber compounds. Carbon black was then replaced with the torrefied biomass in elastomer formulations for concentrations varying from 0% to 100% (60 parts per hundred rubber or phr total). Their influence on the curing process, dynamic properties, and mechanical properties was investigated. Results were compared with the properties of vulcanizates containing solely carbon black fillers. Time to cure (t₉₀) for compounds with torrefied biomass fillers increased, while filler-filler interactions (ΔG') decreased, compared to carbon black controls. At low strains, the tan δ values of the torrefied fillers vulcanizates were similar to the controls. Incorporation of torrefied biomass into natural rubber decreased compound tensile strength and modulus but increased elongation. Replacement with torrefied fillers resulted in a weaker filler network in the matrix. Still, results showed that moderate substitution concentrations (~20 phr) could be feasible for some natural rubber applications.     

Case-Based Learning: Predictive Features in Indexing

Interest in psychological experimentation from the Artificial Intelligence community often takes the form of rigorous post-hoc evaluation of completed computer models. Through an example of our own collaborative research, we advocate a different view of how psychology and AI may be mutually relevant, and propose an integrated approach to the study of learning in humans and machines. We begin with the problem of learning appropriate indices for storing and retrieving information from memory. From a planning task perspective, the most useful indices may be those that predict potential problems and access relevant plans in memory, improving the planner's ability to predict and avoid planning failures. This predictive features hypothesis is then supported as a psychological claim, with results showing that such features offer an advantage in terms of the selectivity of reminding because they more distinctively characterize planning situations where differing plans are appropriate.We present a specific case-based model of plan execution, RUNNER, along with its indices for recognizing when to select particular plans—appropriateness conditions—and how these predictive indices serve to enhance learning. We then discuss how this predictive features claim as implemented in the RUNNER model is then tested in a second set of psychological studies. The results show that learning appropriateness conditions results in greater success in recognizing when a past plan is in fact relevant in current processing, and produces more reliable recall of the related information. This form of collaboration has resulted in a unique integration of computational and empirical efforts to create a model of case-based learning.     

CRT and LCD monitor and process materials evaluated for environmental improvement

Decision rules have been developed and applied to the bills of materials of a color cathode‐ray tube (CRT) and a liquid‐crystal‐display (LCD) desktop monitor to determine which product and process materials will be evaluated in an environmental life‐cycle assessment. Materials of significant mass, of technological importance, and of potential environmental impact are targeted. The list of materials identified are those for which life‐cycle inventory data will be obtained for the materials extraction and materials processing life‐cycle stages of a CRT and an LCD. Additionally, materials identified will also be used to represent life‐cycle impact in terms of resource consumption, as well as surrogates for occupational health impacts.     

Towards Focused Plan Monitoring: A Technique and an Application to Mobile Robots

Until recently, techniques for AI plan generation relied on highly restrictive assumptions that were almost always violated in real-world environments; consequently, robot designers adopted reactive architectures and avoided AI planning techniques. Some recent research efforts have focused on obviating such assumptions by developing techniques that enable the generation and execution of plans in dynamic, uncertain environments. In this paper, we discuss one such technique, rationale-based monitoring, originally introduced by Veloso, Pollack, and Cox (Proceedings for the Fourth International Conference on AI Planning Systems, Pittsburgh, PA, 1998, pp. 171–179) and we describe our use of it in a simple mobile robot environment. We review the original approach, describe how it can be adapted for a causal-link planner, and provide experimental results demonstrating that it can lead to improved plans without consuming excessive overhead. We also describe our use of rationale-based monitoring in a mobile robot office-assistant project currently in progress.     

Trying to adopt systems development methodologies — a case-based exploration of business users' interests

Information systems methodologies are an important component of the IS infrastructure and a primary device for organizing systems development work. Evidence suggests that methodology adoption and use are problematic. This research seeks to generate insight into business users' interest in adoption through detailed examination of a case. A framework is developed for organizing relevant research findings. The field research methods are described and details of the case reported. The case highlights the role of business managers in methodology adoption and the influence of business pressures originating in the strategic environment. Analysis shows the organizing framework to require extension to include a more direct role for business decision makers. it is argued that previous research has obscured the legitimate concern of business with systems development methodologies. As business increasingly asserts its interest in and control over IS, it will be necessary to give greater consideration to the needs of business in the selection and adoption of methodologies.     

On the Role of C Addition on α Precipitation in a β Titanium Alloy

The onset of α nucleation in a carbon containing β-titanium alloy has been investigated by coupling atom probe tomography (APT) with transmission electron microscopy. The analysis of the APT results indicates that in addition to ω precipitates that can act as potential α nucleation sites, carbon atoms tend to form clusters within the β-matrix, which in turn give rise to additional nucleation sites for α, resulting in finer scale α precipitates due to increased nucleation density.