Redesigning the active site of Geotrichum candidum lipase

Attempts to engineer enzymes with unique catalytic propertieshave largely focused on altering the existing specificitiesby reshaping the substrate binding pockets. Few experimentshave aimed at modifying the configuration of the residues essentialfor catalysis. The difference in the topological location ofthe triad acids of Geotrichum candidum lipase (GCL) and thecatalytic domain of human pancreatic lipase (HPL), despite greatsimilarities in their topologies and 3-D structures, suggestthat these are related enzymes whose catalytic triads have beenrearranged in the course of evolution (Schrag et aL, 1992).In this study we prepared a double mutant GCL in which the catalytictriad acid is shifted to the position equivalent to the locationof the triad acid of HPL. The double mutant maintains 10% ofthe wild type activity against triglycerides and the fluorogenicester 4-methylumbelliferyl-oleate. The only significant differencesbetween the 3-D structures of the double mutant and wild typeGCL are at the mutated sites. Even the water structure in theregion of the triad is unchanged. The hydrogen bonding patternof the catalytic triad of the double mutant is very similarto that of pancreatic lipase. The acid of the double mutantis stabilized by only two hydrogen bonds, whereas three hydrogenbonds are observed in the wild type enzyme. These results stronglysupport the hypothesis that the pancreatic Upases are evolutionaryswitchpoints between the two observed arrangements of the catalytictriads supported by the /ß hydrolase fold and suggestthat this fold provides a stable protein core for engineeringenzymes with unique catalytic properties.     

The relation between structural,rugometric and fractal characteristics of hard dental tissues at micro and nano levels

Human tooth exhibits a structure of a mixture of inorganic hydroxyapatite nanocrystals and organic phases. The aim of this study is to investigate different tissues of human canine teeth surface along with the micro structure parameters of each tissue. X‐ray diffraction (XRD) is used to study the amorphous or crystalline nature of each tissue with different mineral compositions and crystalline structures where the highest crystalline quality is related to enamel. The surfaces are also examined by energy‐dispersive X‐ray spectrometry. Moreover, crystalline quality factor is carried out to estimate the crystallinity of the tissues. Also, based on the basic Scherrer equation, the Williamson–Hall equation is applied to extend the formula for the XRD. Enamel and cementum tissues of a typical human tooth, which look similar, are composed of a large variety of wide lines with different widths through Raman spectra analysis. In addition, the applied scanning electron microscopy extracts similar morphology for all tissues with round granular structures which are denser in the cementum. Atomic force microscopy is finally used for investigation of micro‐morphologies of the different tissues and the results are compared with the fractal analysis which ends to the bifractal and anisotropic nature of enamel and cementum along with monofractal and isotropic nature of dentin.     

An update on thoron exposure in Canada with simultaneous ²²²Rn and ²²⁰Rn measurements in Fredericton and Halifax

Naturally occurring isotopes of radon in indoor air are identified as the second leading cause of lung cancer after tobacco smoking. Radon-222 (radon gas) and radon-220 (thoron gas) are the most common isotopes of radon. While extensive radon surveys have been conducted, indoor thoron data are very limited. To better assess thoron exposure in Canada, radon/thoron discriminating detectors were deployed in 45 homes in Fredericton and 65 homes in Halifax for a period of 3 months. In this study, radon concentrations ranged from 16 to 1374 Bq m(-3) with a geometric mean (GM) of 82 Bq m(-3) and a geometric standard deviation (GSD) of 2.56 in Fredericton, and from 4 to 2341 Bq m(-3) with a GM of 107 Bq m(-3) and a GSD of 3.67 in Halifax. It is estimated that 18 % of Fredericton homes and 32 % of Halifax homes could have radon concentrations above the Canadian indoor radon guideline of 200 Bq m(-3). This conclusion is significantly higher than the previous estimates made 30 y ago with short-term radon measurements. Thoron concentrations were below the detection limit in 62 % of homes in both cities. Among the homes with detectable thoron concentrations, the values varied from 12 to 1977 Bq m(-3) in Fredericton and from 6 to 206 Bq m(-3) in Halifax. The GM and GSD were 86 Bq m(-3) and 3.19 for Fredericton, and 35 Bq m(-3) and 2.35 for Halifax, respectively. On the basis of these results, together with previous measurements in Ottawa, Winnipeg and the Mont-Laurier region of Quebec, it is estimated that thoron contributes ～8 % of the radiation dose due to indoor radon exposure in Canada.     

Prospective safety performance evaluation on construction sites

This paper presents a systematic Structural Equation Modeling (SEM) based approach for Prospective Safety Performance Evaluation (PSPE) on construction sites, with causal relationships and interactions between enablers and the goals of PSPE taken into account. According to a sample of 450 valid questionnaire surveys from 30 Chinese construction enterprises, a SEM model with 26 items included for PSPE in the context of Chinese construction industry is established and then verified through the goodness-of-fit test. Three typical types of construction enterprises, namely the state-owned enterprise, private enterprise and Sino-foreign joint venture, are selected as samples to measure the level of safety performance given the enterprise scale, ownership and business strategy are different. Results provide a full understanding of safety performance practice in the construction industry, and indicate that the level of overall safety performance situation on working sites is rated at least a level of III (Fair) or above. This phenomenon can be explained that the construction industry has gradually matured with the norms, and construction enterprises should improve the level of safety performance as not to be eliminated from the government-led construction industry. The differences existing in the safety performance practice regarding different construction enterprise categories are compared and analyzed according to evaluation results. This research provides insights into cause–effect relationships among safety performance factors and goals, which, in turn, can facilitate the improvement of high safety performance in the construction industry.     

Optical constants of silica glass from extreme ultraviolet to far infrared at near room temperature

We thoroughly and critically review studies reporting the real (refractive index) and imaginary (absorption index) parts of the complex refractive index of silica glass over the spectral range from 30 nm to 1000 microm. The general features of the optical constants over the electromagnetic spectrum are relatively consistent throughout the literature. In particular, silica glass is effectively opaque for wavelengths shorter than 200 nm and larger than 3.5-4.0 microm. Strong absorption bands are observed (i) below 160 nm due to the interaction with electrons, absorption by impurities, and the presence of OH groups and point defects; (ii) at aproximately 2.73-2.85, 3.5, and 4.3 microm also caused by OH groups; and (iii) at aproximately 9-9.5, 12.5, and 21-23 microm due to Si-O-Si resonance modes of vibration. However, the actual values of the refractive and absorption indices can vary significantly due to the glass manufacturing process, crystallinity, wavelength, and temperature and to the presence of impurities, point defects, inclusions, and bubbles, as well as to the experimental uncertainties and approximations in the retrieval methods. Moreover, new formulas providing comprehensive approximations of the optical properties of silica glass are proposed between 7 and 50 microm. These formulas are consistent with experimental data and substantially extend the spectral range of 0.21-7 microm covered by existing formulas and can be used in various engineering applications.     

Position‐Force Adaptive Control for Construction Robots

Typical tasks in construction engineering that can be performed by robots include the spraying or cleaning of surfaces. Both applications require that the external force at the end effector of the manipulator be properly controlled. In this paper, the force‐control problem in spraying is analyzed. The paper shows that an unpredictable jet force causes the end effector to diverge from its desired trajectory. The interface between the end effector of the robot and the jet force is modeled as soft contact because both force error and displacement of the end effector are measurable. Therefore, the force‐control problem is simplified to the position‐control problem. The proposed control scheme, using a position‐force adaptive controller, is applied to counterbalancing a jet force. Computer simulation demonstrates that the scheme works well. The maximal position error can be controlled to within 4 mm with the new controller.     

Neural clustering networks based on global optimisation of prototypes in metric spaces

The utilisation of clustering algorithms based on the optimisation of prototypes in neural networks is demonstrated for unsupervised learning. Stimulated by common clustering methods of this type (learning vector quantisation [LVQ, GLVQ] and K-means) a globally operating algorithm was developed to cope with known shortcomings of existing tools. This algorithm and K-means (for the common methods) were applied to the problem of clustering EEG patterns being pre-processed. It can be shown that the algorithm based on global random optimisation may find an optimal solution repeatedly, whereas K-means provides different sub-optimal solutions with respect to the quality measure defined as objective function. The results are presented. The performance of the algorithms is discussed.     

Assessing the impact of meta-model evolution: a measure and its automotive application

Software and Systems Modeling - Domain-specific meta-models play an important role in the design of large software systems by defining language for the architectural models. Such common modeling...     

Decision support analysis for safety control in complex project environments based on Bayesian Networks

This paper presents a novel and systemic decision support model based on Bayesian Networks (BN) for safety control in dynamic complex project environments, which should go through the following three sections. At first, priori expert knowledge is integrated with training data in model design, aiming to improve the adaptability and practicability of model outcome. Then two indicators, Model Bias and Model Accuracy, are proposed to assess the effectiveness of BN in model validation, ensuring the model predictions are not significantly different from the actual observations. Finally we extend the safety control process to the entire life cycle of risk-prone events in model application, rather than restricted to pre-accident control, but during-construction continuous and post-accident control are included. Adapting its reasoning features, including forward reasoning, importance analysis and background reasoning, decision makers are provided with systematic and effective support for safety control in the overall work process. A frequent safety problem, ground settlement during Wuhan Changjiang Metro Shield Tunnel Construction (WCMSTC), is taken as a case study. Results demonstrate the feasibility of BN model, as well as its application potential. The proposed model can be used by practitioners in the industry as a decision support tool to increase the likelihood of a successful project in complex environments.     

Evaluating code complexity triggers,use of complexity measures and the influence of code complexity on maintenance time

Code complexity has been studied intensively over the past decades because it is a quintessential characterizer of code’s internal quality. Previously, much emphasis has been put on creating code complexity measures and applying these measures in practical contexts. To date, most measures are created based on theoretical frameworks, which determine the expected properties that a code complexity measure should fulfil. Fulfilling the necessary properties, however, does not guarantee that the measure characterizes the code complexity that is experienced by software engineers. Subsequently, code complexity measures often turn out to provide rather superficial insights into code complexity. This paper supports the discipline of code complexity measurement by providing empirical insights into the code characteristics that trigger complexity, the use of code complexity measures in industry, and the influence of code complexity on maintenance time. Results of an online survey, conducted in seven companies and two universities with a total of 100 respondents, show that among several code characteristics, two substantially increase code complexity, which subsequently have a major influence on the maintenance time of code. Notably, existing code complexity measures are poorly used in industry.