Challenges in Liquid‐Phase Exfoliation,Processing, and Assembly of Pristine Graphene

Recent developments in the exfoliation, dispersion, and processing of pristine graphene (i.e., non‐oxidized graphene) are described. General metrics are outlined that can be used to assess the quality and processability of various “graphene” products, as well as metrics that determine the potential for industrial scale‐up. The pristine graphene production process is categorized from a chemical engineering point of view with three key steps: i) pretreatment, ii) exfoliation, and iii) separation. How pristine graphene colloidal stability is distinct from the exfoliation step and is dependent upon graphene interactions with solvents and dispersants are extensively reviewed. Finally, the challenges and opportunities of using pristine graphene as nanofillers in polymer composites, as well as as building blocks for macrostructure assemblies are summarized in the context of large‐scale production.     

Business processes in the agile organisation: a socio-technical perspective

This paper takes a cross-disciplinary view of the ontology of “business process”: how the concept is treated in the IS research literature and how related concepts (with stronger human behavioural orientation) from organisation and management sciences can potentially inform this IS perspective. In particular, is there room for socio-technical concepts such as technology affordance, derived from the constructivist tradition, in improving our understanding of operational business processes, particularly human-centric business processes? The paper presents a theoretical framework for understanding the role of business processes in organisational agility that distinguishes between the process-as-designed and the process-as-practiced. How this practice aspect of business processes also leads to the improvisation of various information technology enablers, is explored using a socio-technical lens. The posited theoretical framework is illustrated and validated with data drawn from an interpretive empirical case study of a large IT services company. The research suggests that processes within the organisation evolve both by top-down design and by the bottom-up routinisation of practice and that the tension between these is driven by the need for flexibility.     

Vehicle Teleoperation Interfaces

Despite advances in autonomy, there will always be a need for human involvement in vehicle teleoperation. In particular, tasks such as exploration, reconnaissance and surveillance will continue to require human supervision, if not guidance and direct control. Thus, it is critical that the operator interface be as efficient and as capable as possible. In this paper, we provide an overview of vehicle teleoperation and present a summary of interfaces currently in use.     

A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states

A reaction path including transition states is generated for the Silverman mechanism [R.B. Silverman, Chemical model studies for the mechanism of Vitamin K epoxide reductase, J. Am. Chem. Soc. 103 (1981) 5939-5941] of action for Vitamin K epoxide reductase (VKOR) using quantum mechanical methods (B3LYP/6-311G**). VKOR, an essential enzyme in mammalian systems, acts to convert Vitamin K epoxide, formed by Vitamin K carboxylase, to its (initial) quinone form for cellular reuse. This study elaborates on a prior work that focused on the thermodynamics of VKOR [D.W. Deerfield II, C.H. Davis, T. Wymore, D.W. Stafford, L.G. Pedersen, Int. J. Quant. Chem. 106 (2006) 2944-2952]. The geometries of proposed model intermediates and transition states in the mechanism are energy optimized. We find that once a key disulfide bond is broken, the reaction proceeds largely downhill. An important step in the conversion of the epoxide back to the quinone form involves initial protonation of the epoxide oxygen. We find that the source of this proton is likely a free mercapto group rather than a water molecule. The results are consistent with the current view that the widely used drug Warfarin likely acts by blocking binding of Vitamin K at the VKOR active site and thereby effectively blocking the initiating step. These results will be useful for designing more complete QM/MM studies of the enzymatic pathway once three-dimensional structural data is determined and available for VKOR.     

Interactive display of isosurfaces with global illumination

In many applications, volumetric data sets are examined by displaying isosurfaces, surfaces where the data, or some function of the data, takes on a given value. Interactive applications typically use local lighting models to render such surfaces. This work introduces a method to precompute or lazily compute global illumination to improve interactive isosurface renderings. The precompiled illumination resides in a separate volume and includes direct light, shadows, and intersections. Using this volume, interactive globally illuminated renderings of isosurfaces become feasible while still allowing dynamic manipulation of lighting, viewpoint and isovalue.     

Managing Laboratory Automation: Integration and Informatics in Drug Discovery

Drug discovery today requires the focused use of lab automation and other resources in Combinatorial Chemistry and High-Throughput Screening (HTS). The ultimate value of both Combinatorial Chemistry and High-Throughput Screening technologies and the lasting impact they will have on the drug discovery process is a chapter that remains to be written. Central to their success and impact is how well they are integrated with each other and with the rest of Drug Discovery - and Informatics is key to this success. This presentation will focus on Informatics and the integration of the disciplines of combinatorial chemistry and HTS in modern drug discovery. Examples from experiences at Neurogen from the last five years will be described.     

Definition of the Linear Region of X-Ray -Induced Cable Response

Cable response to X-rays is linear with incident fluence, provided the deposited charge in cable dielectrics is directly proportional to the X-ray flux. To estimate the level at which the linear region ends, we discuss three nonlinear processes that modify the deposited charge profile in a hypothetical cable model: field-limiting in vacuum gaps, ionization effects in air-filled gaps, and radiation-induced dielectric conductivity. The exact level at which limiting of the Norton driver in an elemental length of cable begins depends on the cable geometry and the X-ray source. Estimates of the onset of nonlinearities caused by field-limiting and by dielectric conductivity are found in terms of cable and source parameters. With air-filled gaps, the Norton driver is always nonlinear. In addition to limiting of the Norton drivers, the load response of a long cable may be limited because propagating currents are attenuated by the induced conductivity of the bulk of the dielectric.     

Emotion understanding and performance during computer-supported collaboration

Individuals collaborating around and through computers benefit from receiving information that helps them understand one another, which is often termed awareness. This article explores what collaborators understand about each other’s emotions and the potential benefits for performance that might come from raising this understanding. In Experiment 1 co-located collaborators judged each other’s emotions after playing a game that required cooperative data collection and analysis. Their judgements were largely inaccurate and based on their own emotions, suggesting limited emotion understanding. Experiment 2 explored if this could be overcome by making collaborators aware of each other’s emotions. Co-located and remote collaborators played a cooperative puzzle-solving game under conditions of awareness or no awareness. Awareness was manipulated by making collaborators share their self-reported emotions during key moments of their game play. Both remote and co-located collaborators improved their performance after sharing their emotions. However, unlike co-located collaborators, remote collaborators also improved their understanding of each other’s emotions and experienced more positive affect. We conclude by discussing the content of collaborators’ emotion understanding and the probable mechanisms underlying the observed effects of being made aware of a partner’s emotions.