Life Sciences Commons^™

Clustering And Classification Of Multi-Domain Proteins, Neethu Shah

Department of Computer Science and Engineering: Dissertations, Theses, and Student Research

Rapid development of next-generation sequencing technology has led to an unprecedented growth in protein sequence data repositories over the last decade. Majority of these proteins lack structural and functional characterization. This necessitates design and development of fast, efficient, and sensitive computational tools and algorithms that can classify these proteins into functionally coherent groups.

Domains are fundamental units of protein structure and function. Multi-domain proteins are extremely complex as opposed to proteins that have single or no domains. They exhibit network-like complex evolutionary events such as domain shuffling, domain loss, and domain gain. These events therefore, cannot be represented in the …

Rigidity Analysis Of Protein Biological Assemblies And Periodic Crystal Structures, Filip Jagodzinski, Pamela Clark, Jessica Grant, Tiffany Liu, Samantha Monastra, Ileana Streinu

All Faculty Scholarship for the College of the Sciences

Background

We initiate in silico rigidity-theoretical studies of biological assemblies and small crystals for protein structures. The goal is to determine if, and how, the interactions among neighboring cells and subchains affect the flexibility of a molecule in its crystallized state. We use experimental X-ray crystallography data from the Protein Data Bank (PDB). The analysis relies on an effcient graph-based algorithm. Computational experiments were performed using new protein rigidity analysis tools available in the new release of our KINARI-Web server http://kinari.cs.umass.edu.

Results

We provide two types of results: on biological assemblies and on crystals. We found that when only isolated …

Pcaanalyser: A 2d-Image Analysis Based Module For Effective Determination Of Prostate Cancer Progression In 3d Culture, Md Tamjidul Hoque, Louisa C. E. Windus, Carrie J. Lovitt, Vicky M. Avery

Computer Science Faculty Publications

Three-dimensional (3D) in vitro cell based assays for Prostate Cancer (PCa) research are rapidly becoming the preferred alternative to that of conventional 2D monolayer cultures. 3D assays more precisely mimic the microenvironment found in vivo, and thus are ideally suited to evaluate compounds and their suitability for progression in the drug discovery pipeline. To achieve the desired high throughput needed for most screening programs, automated quantification of 3D cultures is required. Towards this end, this paper reports on the development of a prototype analysis module for an automated high-content-analysis (HCA) system, which allows for accurate and fast investigation of …

Automatic Domain Identification For Linked Open Data, Sarasi Lalithsena, Pascal Hitzler, Amit P. Sheth, Prateek Jain

Kno.e.sis Publications

Linked Open Data (LOD) has emerged as one of the largest collections of interlinked structured datasets on the Web. Although the adoption of such datasets for applications is increasing, identifying relevant datasets for a specific task or topic is still challenging. As an initial step to make such identification easier, we provide an approach to automatically identify the topic domains of given datasets. Our method utilizes existing knowledge sources, more specifically Freebase, and we present an evaluation which validates the topic domains we can identify with our system. Furthermore, we evaluate the effectiveness of identified topic domains for the purpose …

Semantics-Empowered Big Data Processing With Applications, Krishnaprasad Thirunarayan, Amit P. Sheth

Kno.e.sis Publications

We discuss the nature of Big Data and address the role of semantics in analyzing and processing Big Data that arises in the context of Physical-Cyber-Social Systems. We organize our research around the Five Vs of Big Data, where four of the Vs are harnessed to produce the fifth V - value. To handle the challenge of Volume, we advocate semantic perception that can convert low-level observational data to higher-level abstractions more suitable for decision-making. To handle the challenge of Variety, we resort to the use of semantic models and annotations of data so that much of the intelligent processing …

City Notifications As A Data Source For Traffic Management, Pramod Anantharam, Biplav Srivastava

Kno.e.sis Publications

A common problem for cities of developing countries like India in managing traffic is the lack of basic automated instrumentation to track road conditions or vehicle locations. Still, to help their citizens make informed travel decisions based on changing city dynamics; many cities have an authorized, city-initiated, notification service in place to alert subscribing commuters about road conditions. Here, alternative means may be used to create informal textual notifications e.g., inputs from field personnel, citizen updates, and pre-authorized events from city calendar. In this paper, we show that collections of such notifications, when processed with information extraction techniques, can turn …

A Conservation And Rigidity Based Method For Detecting Critical Protein Residues, Bahar Akbal-Delibas, Filip Jagodzinski, Nurit Haspel

All Faculty Scholarship for the College of the Sciences

Background

Certain amino acids in proteins play a critical role in determining their structural stability and function. Examples include flexible regions such as hinges which allow domain motion, and highly conserved residues on functional interfaces which allow interactions with other proteins. Detecting these regions can aid in the analysis and simulation of protein rigidity and conformational changes, and helps characterizing protein binding and docking. We present an analysis of critical residues in proteins using a combination of two complementary techniques. One method performs in-silico mutations and analyzes the protein's rigidity to infer the role of a point substitution to Glycine …

Mining Effective Multi-Segment Sliding Window For Pathogen Incidence Rate Prediction, Lei Duan, Changjie Tang, Xiasong Li, Guozhu Dong, Xianming Wang, Jie Zuo, Min Jiang, Zhongqi Li, Yongqing Zhang

Kno.e.sis Publications

Pathogen incidence rate prediction, which can be considered as time series modeling, is an important task for infectious disease incidence rate prediction and for public health. This paper investigates the application of a genetic computation technique, namely GEP, for pathogen incidence rate prediction. To overcome the shortcomings of traditional sliding windows in GEP-based time series modeling, the paper introduces the problem of mining effective sliding window, for discovering optimal sliding windows for building accurate prediction models. To utilize the periodical characteristic of pathogen incidence rates, a multi-segment sliding window consisting of several segments from different periodical intervals is proposed and …

A Statistical And Schema Independent Approach To Identify Equivalent Properties On Linked Data, Kalpa Gunaratna, Krishnaprasad Thirunarayan, Prateek Jain, Amit P. Sheth, Sanjaya Wijeratne

Kno.e.sis Publications

Linked Open Data (LOD) cloud has gained significant attention in the Semantic Web community recently. Currently it consists of approximately 295 interlinked datasets with over 50 billion triples including 500 million links, and continues to expand in size. This vast source of structured information has the potential to have a significant impact on knowledge-based applications. However, a key impediment to the use of LOD cloud is limited support for data integration tasks over concepts, instances, and properties. Efforts to address this limitation over properties have focused on matching data-type properties across datasets; however, matching of object-type properties has not received …

Types Of Property Pairs And Alignment On Linked Datasets - A Preliminary Analysis, Kalpa Gunaratna, Krishnaprasad Thirunarayan, Amit P. Sheth

Kno.e.sis Publications

Dataset publication on the Web has been greatly influenced by the Linked Open Data (LOD) project. Many interlinked datasets have become freely available on the Web creating a structured and distributed knowledge representation. Analysis and aligning of concepts and instances in these interconnected datasets have received a lot of attention in the recent past compared to properties. We identify three different categories of property pairs found in the alignment process and study their relative distribution among well known LOD datasets. We also provide comparative analysis of state-of-the-art techniques with regard to different categories, highlighting their capabilities. This could lead to …

Wildfire Assessment Using Farsite Fire Modeling: A Case Study In The Chihuahua Desert Of Mexico, John Brakeall

FIU Electronic Theses and Dissertations

The Chihuahua desert is one of the most biologically diverse ecosystems in the world, but suffers serious degradation because of changes in fire regimes resulting in large catastrophic fires. My study was conducted in the Sierra La Mojonera (SLM) natural protected area in Mexico. The purpose of this study was to implement the use of FARSITE fire modeling as a fire management tool to develop an integrated fire management plan at SLM.

Firebreaks proved to detain 100% of wildfire outbreaks. The rosetophilous scrub experienced the fastest rate of fire spread and lowland creosote bush scrub experienced the slowest rate of …

From Questions To Effective Answers: On The Utility Of Knowledge-Driven Querying Systems For Life Sciences Data, Amir H. Asiaee, Prashant Doshi, Todd Minning, Satya S. Sahoo, Priti Parikh, Amit P. Sheth, Rick L. Tarleton

Kno.e.sis Publications

We compare two distinct approaches for querying data in the context of the life sciences. The first approach utilizes conventional databases to store the data and provides intuitive form-based interfaces to facilitate querying of the data, commonly used by the life science researchers that we study. The second approach utilizes a large OWL ontology and the same datasets associated as RDF instances of the ontology. Both approaches are being used in parallel by a team of cell biologists in their daily research activities, with the objective of gradually replacing the conventional approach with the knowledge-driven one. We describe several benefits …

Crisis Response Coordination In Online Communities, Hemant Purohit

Kno.e.sis Publications

During recent crises, citizens (sensors) are increasingly using social media to share variety of information- situation on the ground, emerging needs, donation offers, damage, etc. In such an evolving ad-hoc community, how can we extract actionable nuggets from the social media streams to aid relief efforts? This doctoral consortium presentation summarizes a framework to analyze social data and manage information to assist coordination by focusing on three important questions to answer: Whom to coordinate with, Why to coordinate and How to coordinate, with exemplary insights for needs and availability from the recent disaster events.

Demo: Approximate Semantic Matching In The Collider Event Processing Engine, Souleiman Hasan, Kalpa Gunaratna, Yongrui Qin, Edward Curry

Kno.e.sis Publications

This demo presents a use case from the energy management domain. It builds upon previous work on approximate semantic matching of heterogeneous events and compares two semantic matching scenarios: exact and approximate. It illustrates how a large number of exact matching event subscriptions are needed to match heterogeneous power consumption events. It then demonstrates how a small number of approximate semantic matching subscriptions are needed but possibly with a lower true positives/negatives performance. The demo is delivered via the COLLIDER approximate event processing engine currently under development in DERI.

An Automatic Framework For Embryonic Localization Using Edges In A Scale Space, Zachary Bessinger

Masters Theses & Specialist Projects

Localization of Drosophila embryos in images is a fundamental step in an automatic computational system for the exploration of gene-gene interaction on Drosophila. Contour extraction of embryonic images is challenging due to many variations in embryonic images. In the thesis work, we develop a localization framework based on the analysis of connected components of edge pixels in a scale space. We propose criteria to select optimal scales for embryonic localization. Furthermore, we propose a scale mapping strategy to compress the range of a scale space in order to improve the efficiency of the localization framework. The effectiveness of the proposed …

A Semantic Situation Awareness Framework For Indoor Cyber-Physical Systems, Pratikkumar Desai

Kno.e.sis Publications

Recently, the domain of cyber-physical systems (CPSs) has emerged as a successor to the traditional embedded systems and the wireless sensor networks. The relatively new cyber-physical domain offers tight integration of control, communication and computation components to develop advanced web based application in various heterogeneous domains such as health care, disaster management, automation and environment monitoring. The applications of indoor CPSs include remote patient monitoring, smart home, etc. with focus on situation awareness via event identification from context information. The principal challenges associated with the development of situation awareness applications include uncertainty in contextual data, incomplete domain knowledge, interoperability between …

A Polyglot Approach To Bioinformatics Data Integration: Phylogenetic Analysis Of Hiv-1, Steven Reisman, Catherine Putonti, George K. Thiruvathukal, Konstantin Läufer

Computer Science: Faculty Publications and Other Works

RNA-interference has potential therapeutic use against HIV-1 by targeting highly-functional mRNA sequences that contribute to the virulence of the virus. Empirical work has shown that within cell lines, all of the HIV-1 genes are affected by RNAi-induced gene silencing. While promising, inherent in this treatment is the fact that RNAi sequences must be highly specific. HIV, however, mutates rapidly, leading to the evolution of viral escape mutants. In fact, such strains are under strong selection to include mutations within the targeted region, evading the RNAi therapy and thus increasing the virus’ fitness in the host. Taking a phylogenetic approach, we …

Diffusion Of Mobile Payment Systems Among Microentrepreneurs In Kenya And Tanzania, Dionne Nickerson

Annual Celebration of Student Scholarship and Creativity

The rapid rise of Kenya's mobile payment system, M-PESA , has grasped the attention of policy makers and private enterprise alike. In just six years M-PESA has transformed how money flows throughout Kenya, and similar systems are gaining traction elsewhere in Africa. This project examines the impact of mobile payment system adoption on the economic advancement of Kenyan and Tanzanian microentrepreneurs. This work will further the understanding of mobile payment systems’ contribution to the economic growth of microenterprises, which may have implications for poverty reduction in these two nations.

Volume 05, Ian Karamarkovich, Jessica Cox, Kyle Fowlkes, Allison Pawlowski, Kaitlin Major, Carrie Dunham, Kelsey Scheitlin, Kathryn Grayson, Ashley Johnson, Jennifer Nehrt, Kelsey Stolzenbach, Kristin Mcquarrie, Sara Nelson, Melisa Michelle, Jessica Sudlow, Perry Bason, Danielle Dmuchawski, Mariah Asbell, Matthew Sakach, Timothy Smith Jr., Annaliese Troxell, T. Dane Summerell, Sarah Ganrude, Malina Rutherford, Hannah Hopper, John Berry Jr., James Early, Colleen Festa, Chelsea D. Taylor, Michelle Maddox, Kaitlyn Smith, Sarah Schu, Cabell Edmunds, Katherine Grayson, Kayla Tornai

Incite: The Journal of Undergraduate Scholarship

Introduction from Dean Dr. Charles Ross

The Tallis House as an Extension of Emily Tallis in McEwan's Atonement by Ian Karamarkovich

Graphic Design by Jessica Cox

Graphic Design by Kyle Fowlkes

Graphic Design by Allison Pawlowski

Incorporating Original Research in The Classroom: A Case Study Analyzing the Influence of the Chesapeake Bay on Local Temperatures by Kaitlin Major, Carrie Dunham and Dr. Kelsey Scheitlin

Graphic Design by Kathryn Grayson

Graphic Design by Ashley Johnson

Facing the Music: Environmental Impact Assessment of Building A Concert Hall on North Campus by Jennifer Nehrt, Kelsey Stolzenbach And Dr. Kelsey Scheitlin

Art by Kristin …

Beta Atomic Contacts: Identifying Critical Specific Contacts In Protein Binding Interfaces, Qian Lu, Chee Keong Kwoh, Steven C. H. Hoi

Research Collection School Of Computing and Information Systems

Specific binding between proteins plays a crucial role in molecular functions and biological processes. Protein binding interfaces and their atomic contacts are typically defined by simple criteria, such as distance-based definitions that only use some threshold of spatial distance in previous studies. These definitions neglect the nearby atomic organization of contact atoms, and thus detect predominant contacts which are interrupted by other atoms. It is questionable whether such kinds of interrupted contacts are as important as other contacts in protein binding. To tackle this challenge, we propose a new definition called beta (β) atomic contacts. Our definition, founded on the …

Predicting Parkinson's Disease Progression With Smartphone Data, Pramod Anantharam, Krishnaprasad Thirunarayan, Vahid Taslimi, Amit P. Sheth

Kno.e.sis Publications

Most of the existing approaches for detecting diseases/risk score form observations (sensor and textual) ignore the presence of any prior knowledge of the disease. In this work, we start top-down by enumerating the symptoms of Parkinson's Disease (PD) and map the symptoms to its possible manifestations in sensor observations (bottom-up). We show such manifestations and further use these manifestations as features to build classifiers to differentiate between the PD patients and the control group.

What Kind Of #Conversation Is Twitter? Mining #Psycholinguistic Cues For Emergency Coordination, Hemant Purohit, Andrew Hampton, Valerie L. Shalin, Amit P. Sheth, John M. Flach, Shreyansh Bhatt

Kno.e.sis Publications

The information overload created by social media messages in emergency situations challenges response organizations to find targeted content and users. We aim to select useful messages by detecting the presence of conversation as an indicator of coordinated citizen action. Using simple linguistic indicators associated with conversation analysis in social science, we model the presence of conversation in the communication landscape of Twitter in a large corpus of 1.5M tweets for various disaster and non-disaster events spanning different periods, lengths of time and varied social significance. Within Replies, Retweets and tweets that mention other Twitter users, we found that domain-independent, linguistic …

On Identifying And Analyzing Significant Nodes In Protein-­Protein Interaction Networks, Rohan Khazanchi, Kathryn Dempsey Cooper, Ishwor Thapa, Hesham Ali

Interdisciplinary Informatics Faculty Proceedings & Presentations

Network theory has been used for modeling biological data as well as social networks, transportation logistics, business transcripts, and many other types of data sets. Identifying important features/parts of these networks for a multitude of applications is becoming increasingly significant as the need for big data analysis techniques grows. When analyzing a network of protein-protein interactions (PPIs), identifying nodes of significant importance can direct the user toward biologically relevant network features. In this work, we propose that a node of structural importance in a network model can correspond to a biologically vital or significant property. This relationship between topological and …

On Mining Biological Signals Using Correlation Networks, Kathryn Dempsey Cooper, Ishwor Thapa, Claudia Cortes, Zack Eriksen, Dhundy Raj Bastola, Hesham Ali

Interdisciplinary Informatics Faculty Proceedings & Presentations

Correlation networks have been used in biological networks to analyze and model high-throughput biological data, such as gene expression from microarray or RNA-seq assays. Typically in biological network modeling, structures can be mined from these networks that represent biological functions; for example, a cluster of proteins in an interactome can represent a protein complex. In correlation networks built from high-throughput gene expression data, it has often been speculated or even assumed that clusters represent sets of genes that are coregulated. This research aims to validate this concept using network systems biology and data mining by identification of correlation network clusters …

Disulfide By Design 2.0: A Web-Based Tool For Disulfide Engineering In Proteins, Douglas B. Craig, Alan A. Dombkowski

Wayne State University Associated BioMed Central Scholarship

Abstract

Background

Disulfide engineering is an important biotechnological tool that has advanced a wide range of research. The introduction of novel disulfide bonds into proteins has been used extensively to improve protein stability, modify functional characteristics, and to assist in the study of protein dynamics. Successful use of this technology is greatly enhanced by software that can predict pairs of residues that will likely form a disulfide bond if mutated to cysteines.

Results

We had previously developed and distributed software for this purpose: Disulfide by Design (DbD). The original DbD program has been widely used; however, it has a number …

A Parallel Template For Implementing Filters For Biological Correlation Networks, Kathryn Dempsey Cooper, Vladimir Ufimtsev, Sanjukta Bhowmick, Hesham Ali

Interdisciplinary Informatics Faculty Publications

High throughput biological experiments are critical for their role in systems biology – the ability to survey the state of cellular mechanisms on the broad scale opens possibilities for the scientific researcher to understand how multiple components come together, and what goes wrong in disease states. However, the data returned from these experiments is massive and heterogeneous, and requires intuitive and clever computational algorithms for analysis. The correlation network model has been proposed as a tool for modeling and analysis of this high throughput data; structures within the model identified by graph theory have been found to represent key players …

Logical Linked Data Compression, Amit Krishna Joshi, Pascal Hitzler, Guozhu Dong

Computer Science and Engineering Faculty Publications

Linked data has experienced accelerated growth in recent years. With the continuing proliferation of structured data, demand for RDF compression is becoming increasingly important. In this study, we introduce a novel lossless compression technique for RDF datasets, called Rule Based Compression (RB Compression) that compresses datasets by generating a set of new logical rules from the dataset and removing triples that can be inferred from these rules. Unlike other compression techniques, our approach not only takes advantage of syntactic verbosity and data redundancy but also utilizes semantic associations present in the RDF graph. Depending on the nature of the dataset, …

Conformational Sampling In Template Free Protein Loop Structure Modeling: An Overview, Yaohang Li

Computer Science Faculty Publications

Accurately modeling protein loops is an important step to predict three-dimensional structures as well as to understand functions of many proteins. Because of their high flexibility, modeling the three-dimensional structures of loops is difficult and is usually treated as a "mini protein folding problem" under geometric constraints. In the past decade, there has been remarkable progress in template-free loop structure modeling due to advances of computational methods as well as stably increasing number of known structures available in PDB. This mini review provides an overview on the recent computational approaches for loop structure modeling. In particular, we focus on the …

Traffic Analytics Using Probabilistic Graphical Models Enhanced With Knowledge Bases, Pramod Anantharam, Krishnaprasad Thirunarayan, Amit P. Sheth

Kno.e.sis Publications

Graphical models have been successfully used to deal with uncertainty, incompleteness, and dynamism within many domains. These models built from data often ignore preexisting declarative knowledge about the domain in the form of ontologies and Linked Open Data (LOD) that is increasingly available on the web. In this paper, we present an approach to leverage such 'top-down' domain knowledge to enhance 'bottom-up' building of graphical models. Specifically, we propose three operations on the graphical model structure to enrich it with nodes, edges, and edge directions. We illustrate the enrichment process using traffic data from 511.org and declarative knowledge from ConceptNet. …

Advancing Data Reuse In Phyloinformatics Using An Ontology-Driven Semantic Web Approach, Maryam Panahiazar, Amit P. Sheth, Ajith Harshana Ranabahu, Rutger Vos, Jim Leebens-Mack

Kno.e.sis Publications

Phylogenetic analyses can resolve historical relationships among genes, organisms or higher taxa. Understanding such relationships can elucidate a wide range of biological phenomena, including, for example, the importance of gene and genome duplications in the evolution of gene function, the role of adaptation as a driver of diversification, or the evolutionary consequences of biogeographic shifts. Phyloinformaticists are developing data standards, databases and communication protocols (e.g. Application Programming Interfaces, APIs) to extend the accessibility of gene trees, species trees, and the metadata necessary to interpret these trees, thus enabling researchers across the life sciences to reuse phylogenetic knowledge. Specifically, Semantic Web …