The automatic selection of molecular crystal structures by combining stereochemical criteria and high-speed computing

The increasing use of digital computers in the final stages of the analysis of the structures of molecular crystals now means that the selection of a trial structure for automatic refinement has become the most time-consuming phase of such analyses. This paper shows that in certain types of problem this initial stage can also be carried out on computers, by making use of stereochemical information available at the outset. Examples of the successful application of such methods are given, and ways of increasing their power and flexibility when very fast computers become available are described. The relationship of such geometrical calculations to problems in crystal physics is also indicated, and it is shown that in appropriate cases measurements of, for example, diamagnetic anisotropy can be combined with geometrical results to provide an exceptionally rapid selection of possible molecular orientations.

2019 ◽  
Vol 43 (4) ◽  
pp. 535-543 ◽  
Author(s):  
Shunxin Cao ◽  
Ruijun Zhang ◽  
Shuohua Zhang ◽  
Shuai Qiao ◽  
Dongsheng Cong ◽  
...  

Interaction and wear between wheel and rail become increasingly serious with the increase in elevator speed and load. Uneven roller surface, eccentricity of rollers, and the looseness of rail brackets result in serious vibration problems of high-speed and super-high-speed elevators. Therefore, the forced vibration differential equation representing elevator guide rails is established based on Bernoulli–Euler theory, and the vibration equation of the elevator guide shoes and the car is constructed using the Darren Bell principle. Then, the coupled vibration model of guide rail, guide shoes, and car can be obtained using the relationship of force and relative displacement among these components. The roller–rail parameters are introduced into the established coupled vibration model using the model equivalent method. Then, the influence of roller–rail parameters on the horizontal vibration of super-high-speed elevator cars is investigated. Roller eccentricity and the vibration acceleration of the car present a linear correlation, with the amplitude of the car vibration acceleration increasing with the eccentricity of the roller. A nonlinear relationship exists between the surface roughness of the roller and the vibration acceleration of the car. Increased continuous loosening of the guide rail results in severe vibration of the car at the loose position of the support.


2019 ◽  
Vol 3 (5) ◽  
pp. 815-826 ◽  
Author(s):  
James Day ◽  
Preya Patel ◽  
Julie Parkes ◽  
William Rosenberg

Abstract Introduction Noninvasive tests are increasingly used to assess liver fibrosis and determine prognosis but suggested test thresholds vary. We describe the selection of standardized thresholds for the Enhanced Liver Fibrosis (ELF) test for the detection of liver fibrosis and for prognostication in chronic liver disease. Methods A Delphi method was used to identify thresholds for the ELF test to predict histological liver fibrosis stages, including cirrhosis, using data derived from 921 patients in the EUROGOLF cohort. These thresholds were then used to determine the prognostic performance of ELF in a subset of 457 patients followed for a mean of 5 years. Results The Delphi panel selected sensitivity of 85% for the detection of fibrosis and >95% specificity for cirrhosis. The corresponding thresholds were 7.7, 9.8, and 11.3. Eighty-five percent of patients with mild or worse fibrosis had an ELF score ≥7.7. The sensitivity for cirrhosis of ELF ≥9.8 was 76%. ELF ≥11.3 was 97% specific for cirrhosis. ELF scores show a near-linear relationship with Ishak fibrosis stages. Relative to the <7.7 group, the hazard ratios for a liver-related outcome at 5 years were 21.00 (95% CI, 2.68–164.65) and 71.04 (95% CI, 9.4–536.7) in the 9.8 to <11.3 and ≥11.3 subgroups, respectively. Conclusion The selection of standard thresholds for detection and prognosis of liver fibrosis is described and their performance reported. These thresholds should prove useful in both interpreting and explaining test results and when considering the relationship of ELF score to Ishak stage in the context of monitoring.


2018 ◽  
Vol 4 (3) ◽  
pp. 122-129 ◽  
Author(s):  
Justin Barrett Leaf ◽  
Robert K. Ross ◽  
Joseph H. Cihon ◽  
Mary Jane Weiss

Purpose Kupferstein (2018) surveyed 460 respondents and found that 46 percent of respondents met the diagnostic threshold for posttraumatic stress disorder after exposure to applied-behavior-analysis-based intervention. The purpose of this paper is to provide an evaluation a critical analysis of Kupferstein (2018) including the experimental methods and discussion of the results. Design/methodology/approach The authors evaluated the Kupferstein’s methodological rigor with respect to the use of hypothesis testing, use of indirect measures, selection of respondents, ambiguity in definitions, measurement system, and framing of the experimental question when conducting the correlational analysis in addition to Kupferstein’s analysis and discussion of the results. Findings Based upon the analysis, Kupferstein’s results should be viewed with extreme caution due to several methodological and conceptual flaws including, but not limited to, leading questions used within a non-validated survey, failure to confirm diagnosis, and incomplete description of interventions. Originality/value It is the authors’ hope that this analysis provides caregivers, clinicians, and service providers with a scientific lens which will useful in viewing the limitations and methodological flaws of Kupferstein.


2021 ◽  
Vol 4 (2) ◽  
pp. 92-95
Author(s):  
S. F. Amakiri

The relationship between mean skin thickness or hair follicle depth of the skin from the midside (12th rib) area and milk production levels of pure Friesian (Holstein)cattle breeds, their ¾ and 7/8 crosses with White Fulani zebu, and pure White Fulanis, maintained in South-Western Nigeria were studied. A strongly positive linear correlation (r = 0.9), significant at 1% level was found between skin thickness and hair follicle depth, and milk production levels in these breeds. The results indicate that for cows maintained in a hot humid tropical environment, comparative midside skin thickness and hair follicle depth could be used as indices of the milk production potential of cows. It could be a useful field tool for selection of cows for milk production when considered along with other characteristics


Author(s):  
Mikhail Aleksandrovich Vasil'ev

The subject of this research is the process of establishment of Irkutsk Fire-Technical School during the 1960’s – 1970’s and its professional-pedagogical transformation in the later period of 1990’s. The article covers in the details the question of historical-pedagogical peculiarities in recruitment of the faculty staff of the school with academic personnel at the initial stage. The author explores the question of professional skills of the temporary and permanent academic staff in realization of training, marching drill and combat activities. In the course of this research the author determines and analyzes the factors that influenced the establishment and development Irkutsk Fire-Technical School of the Ministry of Internal Affairs of USSR during the 1960’s – 1970’; as well as peculiarities of pedagogical activity in the formative stage of the educational institution. The article examines the relationship of the cadets and staff members of the school with the service branches. The presented research is relevant for broad audience, since the establishment and development of departmental institution of system of the Ministry of Internal Affairs of USSR in the territory of Baikalia during the 1960’s became a milestone event for education system of the entire Siberian Region.


Author(s):  
Thomais Kordonouri

‘Archive’ is a totality of records, layers and memories that are collected. A city is the archive that consists of the conscious selection of these layers and traces of the past and the present, looking towards the future. Metaxourgio is an area in the wider historic urban area of Keramikos in Athens that includes traces of various eras, beginning in the Antiquity and continuing all the way into the 21st century. Its archaeological space ‘Demosion Sema’ is mostly concealed under the ground level, waiting to be revealed. In this proposal, Metaxourgio is redesigned in light of archiving. Significant traces of the Antiquity, other ruins and buildings are studied, selected and incorporated in the new interventions. The area becomes the ‘open archive’ that leads towards its lost identity. The proposal aims not only to intensify the relationship of architecture with archaeology, but also to imbue the area’s identity with meanings that refer to the past, present and future.


2013 ◽  
Vol 300-301 ◽  
pp. 62-67
Author(s):  
Kun Ye ◽  
Ren Xian Li

Cutting is an effective device to reduce crosswind loads acting on trains. The cutting depth, width and gradient of slope are important factors for design and construction of cutting. Based on numerical analysis methods of three-dimensional viscous incompressible aerodynamics equations, aerodynamic side forces and yawing moments acting on the high-speed train, with different depths and widths of cutting,are calculated and analyzed under crosswinds,meanwhile the relationship of the gradient of cutting slope and transverse aerodynamic forces acting on trains are also studied. Simulation results show that aerodynamic side forces and yawing moments acting on the train(the first, middle and rear train)decrease with the increase of cutting depth. The relationship between transverse forces (moments) coefficients acting on the three sections and the cutting depth basically is the three cubed relation. The bigger is cutting width,the worse is running stability of train. The relationship between yawing moments coefficients acting each body of the train and the cutting width approximately is the three cubed relation. The transverse Aerodynamic forces decreased gradually with the increase of the gradient of cutting slope, the relationship between yawing moments coefficients acting each body of the train and the gradient of cutting slope basically is the four cubed relation.


Author(s):  
S. G. Karthik ◽  
Edward B. Magrab

Abstract An intelligent graphical user interface that captures a product’s functional and assembly structure and the factory that will make it are described. The results are then used to evaluate a factory’s production rate for the product. The program requires the product to be either a functionally uncoupled or decoupled design. The interface then: (1) implements a visualization of the functionally decomposed product structure; (2) implements an abstraction of a factory; (3) automatically generates candidate primary manufacturing processes and materials that are compatible with each other based on a very small number of attributes; (4) enables the user to make Make/Buy decisions for the components comprising the product; (5) assists the user in the selection of secondary manufacturing processes that are compatible with the primary manufacturing processes and materials for parts made in-house, and specify the vendor and the supply lead time for outsourced parts; (6) enables the specification of alternate materials and manufacturing processes; (7) implements a visual representation of the assembly structure as specified by the user; and (8) partially automates the creation of the assembly structure, and assists in the selection of assembly methods that are compatible with the materials chosen. In addition, the program assists in the design for assembly by: (1) requiring the product development team to think about the assembly process early in the design stage; (2) providing a visualization of the relationship of all components comprising the product to its other components; (3) requiring the specification of the order in which they are to be assembled; and (4) requiring the selection of assembly processes that are compatible with each other and the materials chosen. It also requires the specification of the capabilities of the factory that is going to make one or more of the components of the product, and requires that Make/Buy decisions for the parts comprising the product be made.


Author(s):  
Antonio Juan Briones Penalver

This chapter investigates the main concepts and activities of information in strategic decision-making systems. Since information became the global economy value source for organizations, information assumes a key role in contributing to the development of the performance of organizations through the selection of relevant information for businesses. The relationship of the strategic management of information with business activities contributes to the process of strategic decision making for more effective and efficient decisions. The understanding of the importance of information as a strategic resource in the management of organizations is becoming more important to strategists than the formulation of strategy models of industrial society. In the twenty-first century, no manager will be able to set and implement the strategy successfully without a basic understanding of information for strategic decision making.


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