Predicting molecular structures: an application of the cutting angle method

The ability to predict molecular geometries has important applications in chemistry. Specific examples include the areas of protein space structure elucidation, the investigation of host–guest interactions, the understanding of properties of superconductors and of zeolites. This prediction of molecular geometries often depends on finding the global minimum or maximum of a function such as the potential energy. In this paper, we consider several well-known molecular conformation problems to which we apply a new method of deterministic global optimization called the cutting angle method. We demonstrate that this method is competitive with other global optimization techniques for these molecular conformation problems.

A new method for locating the global optimum : application of the cutting angle method to molecular structure prediction

Many problems in chemistry depend on the ability to identify the global minimum or maximum of a function. Examples include applications in chemometrics, optimization of reaction or operating conditions, and non-linear least-squares analysis. This paper presents the results of the application of a new method of deterministic global optimization, called the cutting angle method (CAM), as applied to the prediction of molecular geometries. CAM is shown to be competitive with other global optimization techniques for several benchmark molecular conformation problem. CAM is a general method that can also be applied to other computational problems involving global minima, global maxima or finding the roots of nonlinear equations.

Missionaries, music and method - dissemination of tonic sol-fa in Asia-Pacific countries during the nineteenth century

The Tonic Sol-fa method of teaching choral singing and its system of music notation was developed in England by John Curwen and propagated throughout the British Isles as a means of both enhancing Christian worship and achieving social reform. Tonic Sol-fa may be identified as an entirely foreign musical practice introduced to indigenous people in many British colonies and in other overseas countries during the nineteenth century as an instrument of Christian evangelism as well as of European cultural imposition. Nevertheless, indigenous communities were introduced to other aspects of European musical culture including a choral repertoire consisting of four-part hymnody and masterworks by Handel, Bach, Mozart, etc which sometimes resulted in the emergence of a school of indigenous composers writing in Tonic Sol-fa notation and using the tonal harmonic style. The result has been that in several countries-such as South Africa and Fiji for example-Tonic Sol-fa has been so fully assimilated into the ethnic culture that it has been "indigenized" and may now be said to represent a significant exogenous aspect of the musical culture in these countries.

Tonic Sol-fa was most commonly introduced to countries in the Asia-Pacific Region -as in Africa - by Christian missionaries who sought to exploit the attraction of hymns, particularly when sung in four-part harmony, as a means of evangelizing indigenous people who frequently regarded this aspect of missionary activity as a form of "magic". In particular, the Tonic Sol-fa method and notation gained a significant foothold in what were referred to as the South Sea Islands--especially in Fiji where today, the Fijian Hymn Book (1985 edition) is notated exclusively in Tonic Sol-fa. The vast majority of the Fijians are literate in Tonic Sol-fa notation and congregational singing in four parts is the norm in Fijian churches.

This paper will draw on data from nineteenth century journal sources, particularly The Tonic Sol-fa Reporter (1853-1888) and The Musical Herald (1889-1920), and will document the introduction and dissemination of Tonic Sol-fa in several Asia-Pacific countries where, unlike Australia and New Zealand, the indigenous population has maintained its own cultural and demographic predominance. Countries to be considered will include India, China (including Hong Kong), and Pacific Island nations. There will also be a consideration of the contemporary usage and applications of Tonic Sol-fa in the region, with specific reference to Fiji. It will be argued that countries where Tonic Sol-fa notation has become the norm should resist any external pressure to transfer to the standard staff notation merely for the sake of conformity. In the case of Fiji, almost universal music literacy has been achieved through Tonic Sol-fa and this should be recognized as an enviable social and cultural asset.

Non-smooth optimization methods for computation of the conditional value-at-risk and portfolio optimization

We examine numerical performance of various methods of calculation of the Conditional Value-at-risk (CVaR), and portfolio optimization with respect to this risk measure. We concentrate on the method proposed by Rockafellar and Uryasev in (Rockafellar, R.T. and Uryasev, S., 2000, Optimization of conditional value-at-risk. Journal of Risk, 2, 21-41), which converts this problem to that of convex optimization. We compare the use of linear programming techniques against a non-smooth optimization method of the discrete gradient, and establish the supremacy of the latter. We show that non-smooth optimization can be used efficiently for large portfolio optimization, and also examine parallel execution of this method on computer clusters.

Advances in self-engagement research method : the case of disadvantaged female migrant entrepreneurs in Auckland, New Zealand

The “self-engagement research method” is a set of research procedures, which aims to search latent (hidden) attitudes within a given group of individuals, such as disadvantaged women. This method also examines the research participants practises through an intensive involvement in the process of research. Research on self-regulation has also tended to emphasize having personal control over an event as the primary determinant of whether individuals can effectively monitor and alter their behaviour to attain a desired end state (W. Britt, 1999, 699).

The “self-engagement procedure” originated from fieldwork of social research, especially from the present author’s experiences as a researcher and practitioner on women’s empowerment under the micro-finance programme in Women’s Empowerment Foundation, Auckland and in Grameen Bank Micro-finance programme (Nobel prize winner Professor Mohammed Yunus on poverty reduction through micro-finance).

This technique is based on the oft-cited phenomenon of discrepancies between what research Participants say what they often believe (http://en.wikipedia.org/wiki/Participant_observation). This follows on Gabriel (1991:123-126) namely that participant observation is a useful technique for gaining insight into facts and is also useful for the rural poor or marginal groups, who are unable to communicate their problems. The problem is that since the 1980s, some anthropologists and the social scientists have questioned the degree to which participant observation can give truthful insight into the minds of other people (Geertz, Clifford,1984 & Rosaldo, Renato, 1986).

This paper discusses the difficulties found in using participant observation to discover discrepancies between what participants say and what they really believe. It also discusses self-engagement research procedures which the author has developed through the long-term research experiences with disadvantaged groups of women in Auckland. These procedures discover the discrepancies between what participants say and what is in their mind.

These self-engagement procedures were used from the beginning of the fieldwork to locate research areas and get access to the study settings. It was found there are gaps in this method. For example, there are no systematic processes in which researchers can gain access into the community or be welcomed by research participants. It was also difficult to discover the insight into the facts that cause disempowerment and how micro-finance impacts everyday life on research participants. McCracken (1988 cited in Mertens, 1998:321) argued that researchers collect data directly through observation, but it is not possible to imitate, repeat involvement in the experiences of research participants.

This research draws on and extends the long traditional of participant observation in social research. In field research practises, participant observation was used in different ways for gaining insight into different aspects. A good example is the use and mis-use of the “field journal” in this type of research. The journal typically explained and analysed experiences and understanding of participant observation, in-depth interviews and group discussions on the impact of micro-finance on women’s lives. However, researchers later realised that there were gaps in collected knowledge that needed to be filled. This led to “self-engagement procedures” which developed greater confidence that collected data could truly give insight into patterns of behaviour.

This paper addresses sensitive issues of women’s empowerment under the micro finance programmes and makes a contribution to the literature. The “self-engagement method” detects the “silent facts” of women’s lives. In research conducted amongst disadvantaged women in Auckland, New Zealand and Grameen Bank micro-finance programme in Bangladesh. The method of self-engagement led to better data when participants (both research and subjects) clearly perceived the purpose of the research, when participants have control over providing personal information, and when subjects can build trust with researchers. One overall lesson of this research is that research data and findings are more generalisaable and valid when the participants in the research process understand the relevancy to his/her disadvantaged position and the causes of this, and when participants perceive that it is an opportunity to voice his/her disadvantages and causes.

The “self-engagement research method” involves a variety of behavioural activities. This paper also attempts to discuss in detail, these activities. This paper attempts to discuss the process of the “self-engagement method” in a systematic way. This has been addressed in the research process, in which research participants and researchers become self-engaged to detect the reality of the impact of micro finance to empower the disadvantaged. The stages of self-engagement procedures were developed and followed throughout field research into entrepreneurial behaviour of disadvantaged women in Auckland.

Research on self-regulation has also tended to emphasize having personal control over an event as the primary determinant of whether individuals can effectively monitor and alter their behaviour to attain a desired end state (W. Britt, 1999, 699).

A suitable research method could identify the empowerment/disempowerment of a disadvantaged group of individuals. The self-engagement procedures create a process, in which research participants and researchers become ‘self-engaged’ and gain insight into facts.

The effects of method variance within measures

Despite concern about method variance between measures as a bias in survey research, scholars have overlooked or ignored the effects of method variance within measures (i.e., covariation among items from the same scale that may be attributed to the method of measurement employed). Not only do few commonly used survey instruments reflect efforts to control for method variance, but guides to scale construction encourage researchers to implement strategies that enhance the effects of method variance within measures. In this article, we have argued that when method variance inflates relationships between questionnaire items, traditional psychometric indices overestimate the amount of true or construct variance that scales capture. Implications for survey research that uses fixed alternative questionnaire measures are delineated.

Guest editorial : In Journal of networks, v.7 n.3

Networking of computing devices has been going through rapid evolution and thus continuing to be an ever expanding area of importance in recent years. New technologies, protocols, services and usage patterns have contributed to the major research interests in this area of computer science. The current special issue is an effort to bring forward some of these interesting developments that are being pursued by researchers at present in different parts of the globe. Our objective is to provide the readership with some insight into the latest innovations in computer networking through this. This Special Issue presents selected papers from the thirteenth conference of the series (ICCIT 2010) held during December 23-25, 2010 at the Ahsanullah University of Science and Technology. The first ICCIT was held in Dhaka, Bangladesh, in 1998. Since then the conference has grown to be one of the largest computer and IT related research conferences in the South Asian region, with participation of academics and researchers from many countries around the world. Starting in 2008 the proceedings of ICCIT are included in IEEExplore. In 2010, a total of 410 full papers were submitted to the conference of which 136 were accepted after reviews conducted by an international program committee comprising 81 members from 16 countries. This was tantamount to an acceptance rate of 33%. From these 136 papers, 14 highly ranked manuscripts were invited for this Special Issue. The authors were advised to enhance their papers significantly and submit them to undergo review for suitability of inclusion into this publication. Of those, eight papers survived the review process and have been selected for inclusion in this Special Issue. The authors of these papers represent academic and/or research institutions from Australia, Bangladesh, Japan, Korea and USA. These papers address issues concerning different domains of networks namely, optical fiber communication, wireless and interconnection networks, issues related to networking hardware and software and network mobility. The paper titled “Virtualization in Wireless Sensor Network: Challenges and Opportunities” argues in favor of bringing in different heterogeneous sensors under a common virtual framework so that the issues like flexibility, diversity, management and security can be handled practically. The authors Md. Motaharul Islam and Eui-Num Huh propose an architecture for sensor virtualization. They also present the current status and the challenges and opportunities for further research on the topic. The manuscript “Effect of Polarization Mode Dispersion on the BER Performance of Optical CDMA” deals with impact of polarization mode dispersion on the bit error rate performance of direct sequence optical code division multiple access. The authors, Md. Jahedul Islam and Md. Rafiqul Islam present an analytical approach toward determining the impact of different performance parameters. The authors show that the bit error rate performance improves significantly by the third order polarization mode dispersion than its first or second order counterparts. The authors Md. Shohrab Hossain, Mohammed Atiquzzaman and William Ivancic of the paper “Cost and Efficiency Analysis of NEMO Protocol Entities” present an analytical model for estimating the cost incurred by major mobility entities of a NEMO. The authors define a new metric for cost calculation in the process. Both the newly developed metric and the analytical model are likely to be useful to network engineers in estimating the resource requirement at the key entities while designing such a network. The article titled “A Highly Flexible LDPC Decoder using Hierarchical Quasi-Cyclic Matrix with Layered Permutation” deals with Low Density Parity Check decoders. The authors, Vikram Arkalgud Chandrasetty and Syed Mahfuzul Aziz propose a novel multi-level structured hierarchical matrix approach for generating codes of different lengths flexibly depending upon the requirement of the application. The manuscript “Analysis of Performance Limitations in Fiber Bragg Grating Based Optical Add-Drop Multiplexer due to Crosstalk” has been contributed by M. Mahiuddin and M. S. Islam. The paper proposes a new method of handling crosstalk with a fiber Bragg grating based optical add drop multiplexer (OADM). The authors show with an analytical model that different parameters improve using their proposed OADM. The paper “High Performance Hierarchical Torus Network Under Adverse Traffic Patterns” addresses issues related to hierarchical torus network (HTN) under adverse traffic patterns. The authors, M.M. Hafizur Rahman, Yukinori Sato, and Yasushi Inoguchi observe that dynamic communication performance of an HTN under adverse traffic conditions has not yet been addressed. The authors evaluate the performance of HTN for comparison with some other relevant networks. It is interesting to see that HTN outperforms these counterparts in terms of throughput and data transfer under adverse traffic. The manuscript titled “Dynamic Communication Performance Enhancement in Hierarchical Torus Network by Selection Algorithm” has been contributed by M.M. Hafizur Rahman, Yukinori Sato, and Yasushi Inoguchi. The authors introduce three simple adapting routing algorithms for efficient use of physical links and virtual channels in hierarchical torus network. The authors show that their approaches yield better performance for such networks. The final title “An Optimization Technique for Improved VoIP Performance over Wireless LAN” has been contributed by five authors, namely, Tamal Chakraborty, Atri Mukhopadhyay, Suman Bhunia, Iti Saha Misra and Salil K. Sanyal. The authors propose an optimization technique for configuring the parameters of the access points. In addition, they come up with an optimization mechanism in order to tune the threshold of active queue management system appropriately. Put together, the mechanisms improve the VoIP performance significantly under congestion. Finally, the Guest Editors would like to express their sincere gratitude to the 15 reviewers besides the guest editors themselves (Khalid M. Awan, Mukaddim Pathan, Ben Townsend, Morshed Chowdhury, Iftekhar Ahmad, Gour Karmakar, Shivali Goel, Hairulnizam Mahdin, Abdullah A Yusuf, Kashif Sattar, A.K.M. Azad, F. Rahman, Bahman Javadi, Abdelrahman Desoky, Lenin Mehedy) from several countries (Australia, Bangladesh, Japan, Pakistan, UK and USA) who have given immensely to this process. They have responded to the Guest Editors in the shortest possible time and dedicated their valuable time to ensure that the Special Issue contains high-quality papers with significant novelty and contributions.

Continuous corrosion rate measurement by noise resistance calculation

A commonly employed method of corrosion rate measurement is to determine the electrochemical impedance of the corroding material. One technique for estimating the impedance is the noise impedance calculation. While it has been shown to yield useful results, there are a number of problems that require attention. This paper identifies some of those problems-specifically, those of detrending and resolution-and provides a solution that allows continuous, time-varying noise resistance and noise impedance calculations to be performed with known time, frequency, and magnitude resolutions. Applications to synthetic and experimental data are included as illustrations

A controllable simple method for production of polymeric nanofiberous composite via single nozzle jet electrospinning

A special Micro-Nano fiberous composite structure composed of nano- and micro-scale fiber of Polycaprolactone (PCL) and Gelatin produced by using single nozzle electrospinning instrument. By controlling the solution (polymer concentration and polymer composition percent) and processing parameters of electrospinning (feed rate and electrostatic field), different portion of nano and micro fibers in the structure is achieved. This method can result a one-stage method of fabrication of Micro-Nano fiberous composite structure instead of previously used twostage process or using additional facility to produce structure near-similar to this composite structure. The resulting materials finely mingle nano- and micro fibers together, rather than simply juxtaposing them, as is commonly found in the literature. The results obtained from SEM, Flow Porosimetry, and DMA led the authors to confirm that the structure has very versatile and improved properties for many applications like cell culture scaffolds. These favourable mechanical and structural properties can provide easier opening of spaces for cell penetration to deeper levels of the scaffold and withstand to tensions during to clinical handling.

An accessible survey method: increasing the participation of people with a disability in large sample social research

The 1 in 4 Poll project seeks to increase understanding of the views and needs of people with a disability by developing an accessible survey method. It is being conducted by Deakin University in partnership with the Victorian disability service provider, Scope. To address this goal, the 1 in 4 Poll method has focused on three key strategies: an accessible Internet-based survey; use of an assisted and proxy report; and a ‘standard’ and Easy English version of the survey. A bespoke online survey design seeks to overcome the limitations in accessibility of available online survey tools. Positive evaluative comments, from respondents across a wide-range of disabilities, suggests that the combination of the three major strategies used in the 1 in 4 Poll has resulted in a valuable and accessible method of large scale surveying of people with a disability.

A computerized method for objective measurement of muscle tone

This article is concentrated on the objective computerizing method of measuring of muscle tone using compressive and decompressive deformation of superficial skeletal muscle of wrist in vivo. Four indices were highly recommended for complex analysis of muscle tone.

The effect of environmental conditions on performance in timed cycling events

Air temperature, pressure and humidity are environmental factors that affect air density and therefore the relationship between a cyclist’s power output and their velocity. These environmental factors are changeable and are routinely quite different at elite cycling competitions conducted around the world, which means that they have a variable effect on performance in timed events. The present work describes a method of calculating the effect of these environmental factors on timed cycling events and illustrates the magnitude and significance of these effects in a case study. Formulas are provided to allow the calculation of the effect of environmental conditions on performance in a time trial cycling event. The effect of environmental factors on time trial performance can be in the order of 1.5%, which is significant given that the margins between ranked performances is often less than this. Environmental factors may enhance or hinder performance depending upon the conditions and the comparison conditions. To permit the fair comparison of performances conducted in different environmental conditions, it is recommended that performance times are corrected to the time that would be achieved in standard environmental conditions, such as 20 oC, 760 mmHg (1013.25 hPa) and 50% RH.

Improving communication when seeking informed consent: a randomised controlled study of a computer-based method for providing information to prospective clinical trial participants

OBJECTIVE: To assess the efficacy, with respect to participant understanding of information, of a computer-based approach to communication about complex, technical issues that commonly arise when seeking informed consent for clinical research trials. DESIGN, SETTING AND PARTICIPANTS: An open, randomised controlled study of 60 patients with diabetes mellitus, aged 27-70 years, recruited between August 2006 and October 2007 from the Department of Diabetes and Endocrinology at the Alfred Hospital and Baker IDI Heart and Diabetes Institute, Melbourne. INTERVENTION: Participants were asked to read information about a mock study via a computer-based presentation (n = 30) or a conventional paper-based information statement (n = 30). The computer-based presentation contained visual aids, including diagrams, video, hyperlinks and quiz pages. MAIN OUTCOME MEASURES: Understanding of information as assessed by quantitative and qualitative means. RESULTS: Assessment scores used to measure level of understanding were significantly higher in the group that completed the computer-based task than the group that completed the paper-based task (82% v 73%; P = 0.005). More participants in the group that completed the computer-based task expressed interest in taking part in the mock study (23 v 17 participants; P = 0.01). Most participants from both groups preferred the idea of a computer-based presentation to the paper-based statement (21 in the computer-based task group, 18 in the paper-based task group). CONCLUSIONS: A computer-based method of providing information may help overcome existing deficiencies in communication about clinical research, and may reduce costs and improve efficiency in recruiting participants for clinical trials.

Development of a real-time PCR method for rapid sexing of human preimplantation embryos

Genes on the X chromosome are known to be responsible for more than 200 hereditary diseases. After IVF, the simple selection of embryo sex before uterine transfer can prevent the occurrence of affected offspring among couples at risk for these genetic disorders. The aim of this investigation was to develop a rapid method of preimplantation genetic diagnosis (PGD) using real-time polymerase chain reaction (PCR) for the sexing of human embryos, and to compare it to the fluorescence in-situ hybridization technique, considered to be the gold standard. After biopsies were obtained from 40 surplus non-viable embryos for transfer, a total of 98 blastomeres were analysed. It was possible to analyse 24 embryos (60%) by both techniques, generating a total of 70 blastomeres (35 per technique), white 28 blastomeres from 16 embryos (40%) were analysed only by real-time PCR. A rapid and safe method was developed in the present study for the sexual diagnosis of a single human cell (blastomere and buccal cell) using the emerging technology of real-time PCR. (C) 2009, Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

Mechanical resistance of the modified stabilization method for the tibial tuberosity advancement technique: ex vivo experimental study in dogs

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)