Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors

Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

Glucose-dependent Functional Heterogeneity In β-TC-6 Murine Insulinoma

To determine if the murine insulinoma, β-TC-6, is a suitable substitute for primary pancreatic β-cells in the study of β- cell functional heterogeneity, we used three distinct functional assays to ascertain the cell line-s response to glucose or a glucose analog. These assays include: (i) a 2-NBDG uptake assay; (ii) a calcium influx assay, and; (iii) a quinacrine secretion assay. We show that a population of β-TC-6 cells endocytoses the glucose analog, 2- NBDG, at different rates, has non-uniform intracellular calcium ion concentrations and releases quinacrine at different rates when challenged with glucose. We also measured the Km for β-TC-6 glucose uptake to be 46.9 mM and the Vm to be 8.36 x 10-5 mmole/million cells/min. These data suggest that β-TC-6 might be used as an alternative to primary pancreatic β-cells for the study of glucose-dependent β-cell functional heterogeneity.

Molecular Docking on Recomposed versus Crystallographic Structures of Zn-Dependent Enzymes and their Natural Inhibitors

Matrix metalloproteinases (MMP) are a class of structural and functional related enzymes involved in altering the natural elements of the extracellular matrix. Most of the MMP structures are cristalographycally determined and published in WorldWide ProteinDataBank, isolated, in full structure or bound to natural or synthetic inhibitors. This study proposes an algorithm to replace missing crystallographic structures in PDB database. We have compared the results of a chosen docking algorithm with a known crystallographic structure in order to validate enzyme sites reconstruction there where crystallographic data are missing.

Language and Retrieval Accuracy

One of the major challenges in the Information Retrieval field is handling the massive amount of information available to Internet users. Existing ranking techniques and strategies that govern the retrieval process fall short of expected accuracy. Often relevant documents are buried deep in the list of documents returned by the search engine. In order to improve retrieval accuracy we examine the issue of language effect on the retrieval process. Then, we propose a solution for a more biased, user-centric relevance for retrieved data. The results demonstrate that using indices based on variations of the same language enhances the accuracy of search engines for individual users.

Automatic Reusability Appraisal of Software Components using Neuro-fuzzy Approach

Automatic reusability appraisal could be helpful in evaluating the quality of developed or developing reusable software components and in identification of reusable components from existing legacy systems; that can save cost of developing the software from scratch. But the issue of how to identify reusable components from existing systems has remained relatively unexplored. In this paper, we have mentioned two-tier approach by studying the structural attributes as well as usability or relevancy of the component to a particular domain. Latent semantic analysis is used for the feature vector representation of various software domains. It exploits the fact that FeatureVector codes can be seen as documents containing terms -the idenifiers present in the components- and so text modeling methods that capture co-occurrence information in low-dimensional spaces can be used. Further, we devised Neuro- Fuzzy hybrid Inference System, which takes structural metric values as input and calculates the reusability of the software component. Decision tree algorithm is used to decide initial set of fuzzy rules for the Neuro-fuzzy system. The results obtained are convincing enough to propose the system for economical identification and retrieval of reusable software components.

Advanced Information Extraction with n-gram based LSI

Number of documents being created increases at an increasing pace while most of them being in already known topics and little of them introducing new concepts. This fact has started a new era in information retrieval discipline where the requirements have their own specialties. That is digging into topics and concepts and finding out subtopics or relations between topics. Up to now IR researches were interested in retrieving documents about a general topic or clustering documents under generic subjects. However these conventional approaches can-t go deep into content of documents which makes it difficult for people to reach to right documents they were searching. So we need new ways of mining document sets where the critic point is to know much about the contents of the documents. As a solution we are proposing to enhance LSI, one of the proven IR techniques by supporting its vector space with n-gram forms of words. Positive results we have obtained are shown in two different application area of IR domain; querying a document database, clustering documents in the document database.

Determining the Criteria and their Importance Level of Calibration Supplier Selection

Quality control is the crucial step for ISO 9001 Quality System Management Standard for companies. While measuring the quality level of both raw material and semi product/product, the calibration of the measuring device is an essential requirement. Calibration suppliers are in the service sector and therefore the calibration supplier selection is becoming a worthy topic for improving service quality. This study presents the results of a questionnaire about the selection criteria of a calibration supplier. The questionnaire was applied to 103 companies and the results are discussed in this paper. The analysis was made with MINITAB 14.0 statistical programs. “Competence of documentations" and “technical capability" are defined as the prerequisites because of the ISO/IEC17025:2005 standard. Also “warranties and complaint policy", “communication", “service features", “quality" and “performance history" are defined as very important criteria for calibration supplier selection.

Data Annotation Models and Annotation Query Language

This paper presents data annotation models at five levels of granularity (database, relation, column, tuple, and cell) of relational data to address the problem of unsuitability of most relational databases to express annotations. These models do not require any structural and schematic changes to the underlying database. These models are also flexible, extensible, customizable, database-neutral, and platform-independent. This paper also presents an SQL-like query language, named Annotation Query Language (AnQL), to query annotation documents. AnQL is simple to understand and exploits the already-existent wide knowledge and skill set of SQL.

Software Architecture Recovery

The advent of modern technology shadows its impetus repercussions on successful Legacy systems making them obsolete with time. These systems have evolved the large organizations in major problems in terms of new business requirements, response time, financial depreciation and maintenance. Major difficulty is due to constant system evolution and incomplete, inconsistent and obsolete documents which a legacy system tends to have. The myriad dimensions of these systems can only be explored by incorporating reverse engineering, in this context, is the best method to extract useful artifacts and by exploring these artifacts for reengineering existing legacy systems to meet new requirements of organizations. A case study is conducted on six different type of software systems having source code in different programming languages using the architectural recovery framework.

Using the Semantic Web in Ubiquitous and Mobile Computing: the Morfeo Experience

With the advent of emerging personal computing paradigms such as ubiquitous and mobile computing, Web contents are becoming accessible from a wide range of mobile devices. Since these devices do not have the same rendering capabilities, Web contents need to be adapted for transparent access from a variety of client agents. Such content adaptation results in better rendering and faster delivery to the client device. Nevertheless, Web content adaptation sets new challenges for semantic markup. This paper presents an advanced components platform, called MorfeoSMC, enabling the development of mobility applications and services according to a channel model based on Services Oriented Architecture (SOA) principles. It then goes on to describe the potential for integration with the Semantic Web through a novel framework of external semantic annotation of mobile Web contents. The role of semantic annotation in this framework is to describe the contents of individual documents themselves, assuring the preservation of the semantics during the process of adapting content rendering, as well as to exploit these semantic annotations in a novel user profile-aware content adaptation process. Semantic Web content adaptation is a way of adding value to and facilitates repurposing of Web contents (enhanced browsing, Web Services location and access, etc).

Towards Clustering of Web-based Document Structures

Methods for organizing web data into groups in order to analyze web-based hypertext data and facilitate data availability are very important in terms of the number of documents available online. Thereby, the task of clustering web-based document structures has many applications, e.g., improving information retrieval on the web, better understanding of user navigation behavior, improving web users requests servicing, and increasing web information accessibility. In this paper we investigate a new approach for clustering web-based hypertexts on the basis of their graph structures. The hypertexts will be represented as so called generalized trees which are more general than usual directed rooted trees, e.g., DOM-Trees. As a important preprocessing step we measure the structural similarity between the generalized trees on the basis of a similarity measure d. Then, we apply agglomerative clustering to the obtained similarity matrix in order to create clusters of hypertext graph patterns representing navigation structures. In the present paper we will run our approach on a data set of hypertext structures and obtain good results in Web Structure Mining. Furthermore we outline the application of our approach in Web Usage Mining as future work.

A Study on the User Experience Design of Mobile Twitter Application

The number of people using SNS with their mobile devices is soaring. This research focuses on the Twitter service that has the most third-party applications and delved into the fact that there were not sufficient studies on the UX design aspects of Twitter applications. Among social network services which have emerged as a major social topic lately, this research try to analyze the UX design of the Twitter application which is also called micro-blogging service. Therefore this research sets its goal to draw components of the UX design aspect of the Tweeter application on which there are not enough analysis yet. Moreover, this research suggests improvement of mobile application which will assure better users- experience. In order to analyze the UX design aspect of the mobile twitter application, with relevant document and user research, evaluating factors of the UX Design which would affect users- experience were organized. The subjects for cases were selected among six paid and free social networking applications that had been consistently ranked from 1st to 100th in the Korean application store during May, 2012 after closely monitoring the rank. From May 15th to May 11th in 2012, in accordance with the evaluating standard, surveys were conducted in a form of interviews with 20 subjects who have used the Twitter application to find out problems and solutions for the UX design of the mobile Twitter application.

ORank: An Ontology Based System for Ranking Documents

Increasing growth of information volume in the internet causes an increasing need to develop new (semi)automatic methods for retrieval of documents and ranking them according to their relevance to the user query. In this paper, after a brief review on ranking models, a new ontology based approach for ranking HTML documents is proposed and evaluated in various circumstances. Our approach is a combination of conceptual, statistical and linguistic methods. This combination reserves the precision of ranking without loosing the speed. Our approach exploits natural language processing techniques for extracting phrases and stemming words. Then an ontology based conceptual method will be used to annotate documents and expand the query. To expand a query the spread activation algorithm is improved so that the expansion can be done in various aspects. The annotated documents and the expanded query will be processed to compute the relevance degree exploiting statistical methods. The outstanding features of our approach are (1) combining conceptual, statistical and linguistic features of documents, (2) expanding the query with its related concepts before comparing to documents, (3) extracting and using both words and phrases to compute relevance degree, (4) improving the spread activation algorithm to do the expansion based on weighted combination of different conceptual relationships and (5) allowing variable document vector dimensions. A ranking system called ORank is developed to implement and test the proposed model. The test results will be included at the end of the paper.

A New Approach for Flexible Document Categorization

In this paper we propose a new approach for flexible document categorization according to the document type or genre instead of topic. Our approach implements two homogenous classifiers: contextual classifier and logical classifier. The contextual classifier is based on the document URL, whereas, the logical classifier use the logical structure of the document to perform the categorization. The final categorization is obtained by combining contextual and logical categorizations. In our approach, each document is assigned to all predefined categories with different membership degrees. Our experiments demonstrate that our approach is best than other genre categorization approaches.

A New Model for Discovering XML Association Rules from XML Documents

The inherent flexibilities of XML in both structure and semantics makes mining from XML data a complex task with more challenges compared to traditional association rule mining in relational databases. In this paper, we propose a new model for the effective extraction of generalized association rules form a XML document collection. We directly use frequent subtree mining techniques in the discovery process and do not ignore the tree structure of data in the final rules. The frequent subtrees based on the user provided support are split to complement subtrees to form the rules. We explain our model within multi-steps from data preparation to rule generation.

Auto Classification for Search Intelligence

This paper proposes an auto-classification algorithm of Web pages using Data mining techniques. We consider the problem of discovering association rules between terms in a set of Web pages belonging to a category in a search engine database, and present an auto-classification algorithm for solving this problem that are fundamentally based on Apriori algorithm. The proposed technique has two phases. The first phase is a training phase where human experts determines the categories of different Web pages, and the supervised Data mining algorithm will combine these categories with appropriate weighted index terms according to the highest supported rules among the most frequent words. The second phase is the categorization phase where a web crawler will crawl through the World Wide Web to build a database categorized according to the result of the data mining approach. This database contains URLs and their categories.

Evaluation Techniques of Photography in Visual Communications in Iran

Although a picture can be automatically a graphic work, but especially in the field of graphics and images based on the idea of advertising and graphic design will be prepared and photographers to realize the design using his own knowledge and skills to help does. It is evident that knowledge of photography, photographer and designer of the facilities, fields of reaching a higher level of quality offers. At the same time do not have a graphic designer is also skilled photographer, but can execute your idea may delegate to an expert photographer. Using technology and methods in all fields of photography, graphic art may be applicable. But most of its application in Iran, in works such as packaging, posters, Bill Board, advertising, brochures and catalogs are. In this study, we review how the images and techniques in the chart should be used in Iranian graphic photo what impact has left. Using photography techniques and procedures can be designed and helped advance the goals graphic. Technique could not determine the idea. But what is important to think about design and photography and his creativity can flourish as a tool to be effective graphic designer in mind. Computer software to help it's very promotes creativity techniques shall graphic designer but also it is as a tool. Using images in various fields, especially graphic arts and only because it is not being documented, but applications are beautiful. As to his photographic style from today is graphics. Graphic works try to affect impacts on their audience. Hence the photo as an important factor is attention. The other hand saw the man with the extent of forgiving and understanding people's image, instead of using the word to your files, allows large messages and concepts should be sent in the shortest time. Posters, advertisements, brochures, catalog and packaging products very diverse agricultural, industrial and food could not be self-image. Today, the use of graphic images for a big score and the photos to richen the role graphic design plays a major.

Ethnobotany and Distribution of Dioscoreahispida Dennst. (Dioscoreaceae) in Besut, Marang and Setiu Districts of Terengganu, Peninsular Malaysia

Dioscorea species or commonly named as yam is reported to be one of the major food sources worldwide. This ethnobotanical study was conducted to document local knowledge and potentials of DioscoreahispidaDennst. and to investigate and record its distribution in three districts of Terengganu. Information was gathered from 23 villagers from three districts of Besut, Marang and Setiu by using semi-structured questionnaire. The villagers were randomly selected and no appointment was made prior to the visits. For distribution, the location of Dioscoreahispida was recorded by using the Global Positioning System (GPS). The villagers identified Dioscoreahispida or locally named ubigadong by looking at the physical characteristics that include its leaf shape, stem and the color of the tuber-s flesh. The villagers used Dioscoreahispida in many ways in their life such as for food, medicinal purposes and fish poison.

A Co-writing Development Approachto Wikis: PedagogicalIssues and Implications

Wikis are promoted as collaborative writing tools that allow students to transform a text into a collective document by information sharing and group reflection. However, despite the promising collaborative capabilities of wikis, their pedagogical value regarding collaborative writing is still questionable. Wiki alone cannot make collaborative writing happen, and students do not automatically become more active, participate, and collaborate with others when they use wikis. To foster collaborative writing and active involvement in wiki development there is a need for a systematic approach to wikis. Themain goal of this paper is to propose and evaluate a co-writing approach to the development of wikis, along with the study of three wiki applications to report on pedagogical implications of collaborative writing in higher education.

Students- Perception of the Evaluation System in Architecture Studios

Architecture education was based on apprenticeship models and its nature has not changed much during long period but the Source of changes was its evaluation process and system. It is undeniable that art and architecture education is completely based on transmitting knowledge from instructor to students. In contrast to other majors this transmitting is by iteration and practice and studio masters try to control the design process and improving skills in the form of supervision and criticizing. Also the evaluation will end by giving marks to students- achievements. Therefore the importance of the evaluation and assessment role is obvious and it is not irrelevant to say that if we want to know about the architecture education system, we must first study its assessment procedures. The evolution of these changes in western countries has literate and documented well. However it seems that this procedure has unregarded in Malaysia and there is a severe lack of research and documentation in this area. Malaysia as an under developing and multicultural country which is involved different races and cultures is a proper origin for scrutinizing and understanding the evaluation systems and acceptability amount of current implemented models to keep the evaluation and assessment procedure abreast with needs of different generations, cultures and even genders. This paper attempts to answer the questions of how evaluation and assessments are performed and how students perceive this evaluation system in the context Malaysia. The main advantage of this work is that it contributes in international debate on evaluation model.