Physical Sciences and Mathematics Commons^™

Ranking Methods For Global Optimization Of Molecular Structures, John Norman Mcmeen Jr

Electronic Theses and Dissertations

This work presents heuristics for searching large sets of molecular structures for low-energy, stable systems. The goal is to find the globally optimal structures in less time or by consuming less computational resources. The strategies intermittently evaluate and rank structures during molecular dynamics optimizations, culling possible weaker solutions from evaluations earlier, leaving better solutions to receive more simulation time. Although some imprecision was introduced from not allowing all structures to fully optimize before ranking, the strategies identify metrics that can be used to make these searches more efficient when computational resources are limited.

Continuous Polymer Reactor Design, David Sujay Kingsley

Dissertations

Twin screw extruders can be used as continuous polymer reactors to process polymers, which are conventionally made through batch reactors. Batch processes have certain undesirable qualities such as improper mixing and the inability to precisely control the reaction, which leads to variation between batches and potential exotherms. The work presented in this dissertation investigates the use of continuous polymer reactor designs to efficiently process renewable sourced thermoplastic polyurethanes (TPU), and prepreg epoxy matrix prepolymers.

The overall goal of this research is to highlight the modularity of twin screw extruders as continuous polymer reactors to synthesize the relevant polymers. Chapter I …

Spectroscopy And Gas-Phase Binding Of Modified Desferrioxamine B Indicator Displacement-Based Sensors, William Scott Jones

Dissertations

A coupling reaction has been used to successfully synthesize two novel probes utilizing coumarin derivatives as fluorophores. The structure, spectroscopy, and thermodynamics of these probes were characterized and studied. These probes, along with a classical probe using a N-methyl-anthranilate fluorophore, are used to take advantage of the ability of siderophores to coordinate Fe³⁺ ions which is coupled with the attractive phosphorescence properties of lanthanide ions. The use of lanthanide metals to create an indicator displacement assays is a novel application of these probes for the detection of Fe³⁺ ions. The use of Tb³⁺ ions as the indicator …

Investigation Of Glassy State Molecular Motions In Thermoset Polymers, Jianwei Tu

Dissertations

This dissertation presents the investigation of the glassy state molecular motions in isomeric thermoset epoxies by means of solid-state deuterium (²H) NMR spectroscopy technique. The network structure of crosslinked epoxies was altered through monomer isomerism; specifically, diglycidyl ether of bisphenol A (DGEBA) was cured with isomeric amine curatives, i.e., the meta-substituted diaminodiphenylsulfone (33DDS) and para-substituted diaminodiphenylsulfone (44DDS). The use of structural isomerism provided a path way for altering macroscopic material properties while maintaining identical chemical composition within the crosslinked networks.

The effects of structural isomerism on the glassy state molecular motions were studied using solid-state ²H …

Modeling And Tracking Relative Movement Of Object Parts, Praneeth Talluri

Student Work

Video surveillance systems play an important role in many civilian and military applications, for the purposes of security and surveillance. Object detection is an important component in a video surveillance system, used to identify possible objects of interest and to generate data for tracking and analysis purposes. Not much exploration has been done to track the moving parts of the object which is being tracked. Some of the promising techniques like Kalman Filter, Mean-shift algorithm, Matching Eigen Space, Discrete Wavelet Transform, Curvelet Transform, Distance Metric Learning have shown good performance for keeping track of moving object.

Most of this work …

Analyzing Shakespeare’S Plays In A Network Perspective, Vikas Thotakuri

Student Work

Networks are popular models for representing interactions between entities in systems, such as in sociology, bioinformatics, and epidemiology. The entities in the networks are represented as vertices and their pair-wise interactions are represented as edges [1]. Many network metrics such as degree centrality (number of connections of an entity) and betweenness centrality (number of shortest paths passing through the entity) have been developed to rank the entities according to their importance [7] [10].Social networks are generally modeled on only one type of relation. Groups are open-ended, which means the number of participants and the time frame are not finite. Time …

Identifying Change Points In A Covariate Effect On Time-To-Event Analysis With Reduced Isotonic Regression, Yong Ma, Yinglei Lai, John M. Lachin

GW Biostatistics Center

Isotonic regression is a useful tool to investigate the relationship between a quantitative covariate and a time-to-event outcome. The resulting non-parametric model is a monotonic step function of a covariate X and the steps can be viewed as change points in the underlying hazard function. However, when there are too many steps, over-fitting can occur and further reduction is desirable. We propose a reduced isotonic regression approach to allow combination of small neighboring steps that are not statistically significantly different. In this approach, a second stage, the reduction stage, is integrated into the usual monotonic step building algorithm by comparing …

Contribution Of Multidomain Titanomagnetite To The Intensity And Stability Of Mars Crustal Magnetic Anomalies, Stefanie A. Brachfeld, David Cuomo, Lisa Tatsumi-Petrochilos, Julie A. Bowles, Deepa Shah, Julia Hammer

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

Two basalts with compositions relevant to the crusts of Mars and Earth were synthesized at igneous temperatures and held at 650°C for 21 to 257 days under quartz‐fayalite‐magnetite fO2 buffer conditions. The run products are germane to slowly cooled igneous intrusions, which might be a significant volumetric fraction of the Martian crust and carriers of magnetic anomalies in the Southern Highlands. Both basalts acquired intense thermoremanent magnetizations and intense but easily demagnetized anhysteretic remanent magnetizations carried by homogeneous multidomain titanomagnetite. Hypothetical intrusions on Mars composed of these materials would be capable of acquiring intense remanences sufficient to generate the …

Evaluation Of Non-Covalent Interaction Models In Molecular Crystals Using Terahertz Spectroscopy, Thomas Juliano

Dissertations - ALL

Density functional theory (DFT) is a powerful tool that can be used to evaluate the low-frequency vibrational spectra of solid-state crystalline materials. Since THz spectroscopy is sensitive to both the intermolecular and intramolecular forces that govern the formation of crystalline materials, it is an ideal tool to investigate the accuracy of calculated DFT crystal structures and their vibrational spectra. When using solid-state DFT, non-covalent dispersion interactions are not fully treated in typical approaches. In order to account for these interactions, the addition of dispersion force correction terms are necessary. A number of methods exist to correct for this deficiency of …

Development And Application Of Combined Quantum Mechanical And Molecular Mechanical Methods, Rui Lai

Department of Chemistry: Dissertations, Theses, and Student Research

Compromising of computational cost and accuracy, combined quantum mechanical and molecular mechanical (QM/MM) methods are practical methods for studying large molecular systems. The use of induced dipole polarizable force fields can significantly improve the accuracy of MM and QM/MM methods. However, induced dipole models tend to overestimate the polarization energy at short interaction distances. Damping functions can be applied to reduce the over polarization. MM-MM damping schemes have been developed to correct the overestimated polarization between MM atoms; QM-MM damping scheme has not been developed. In this thesis, a QM-MM damping scheme is developed for the damping of the MM …

Protein Expression, Characterization And Activity Comparisons Of Wild Type And Mutant Dusp5 Proteins, Jaladhi Nayak, Adam J. Gastonguay, Marat R. Talipov, Padmanabhan Vakeel, Elise A. Span, Kelsey S. Kalous, Raman G. Kutty, David R. Jensen, Phani Raj Pokkuluri, Daniel S. Sem, Rajendra Rathore, Ramani Ramchandran

Chemistry Faculty Research and Publications

Background

The mitogen-activated protein kinases (MAPKs) pathway is critical for cellular signaling, and proteins such as phosphatases that regulate this pathway are important for normal tissue development. Based on our previous work on dual specificity phosphatase-5 (DUSP5), and its role in embryonic vascular development and disease, we hypothesized that mutations in DUSP5 will affect its function.

Results

In this study, we tested this hypothesis by generating full-length glutathione-S-transferase-tagged DUSP5 and serine 147 proline mutant (S147P) proteins from bacteria. Light scattering analysis, circular dichroism, enzymatic assays and molecular modeling approaches have been performed to extensively characterize the protein form and function. …

Gis Framework For Spatiotemporal Mapping Of Urban Flooding And Analyze Watershed Hydrological Response To Land Cover Change, Sayed Joinal Hossain Abedin

UNLV Theses, Dissertations, Professional Papers, and Capstones

Urban flooding is a manmade disaster, and a recurrent problem in cities around the globe. Increased surface imperviousness due to urbanization along with inadequate drainage infrastructure system are the chief culprits for urban flooding. Flooding in an urban area brings about severe economic, structural, and environmental damages, and can be associated with casualties too. In order to evade flooding, an efficient flood model is imperative to study current flooding, and analyze flooding behavior to urban surface characteristics.

This research aims to develop a framework using Geographic Information System (GIS) to perform modeling and mapping of flood spatiotemporal variation in urban …

Simultaneous Determination Of Multiple Actinide Elements In A Variety Of Soils Utilizing A Standardized Sequential Extraction Protocol, Sherry Alina Faye

UNLV Theses, Dissertations, Professional Papers, and Capstones

To obtain a better understanding of the mobility of actinide element contaminants in the environment, the association of the contaminants with specific host phases of soils and sediments must be investigated. This investigation is most commonly conducted using sequential extraction techniques that employ the selective dissolution of soil phases with increasingly aggressive chemical treatment. Though several sequential extraction studies exist in literature, conclusions cannot be made by direct comparison of data due to the lack of uniformity in the protocols used. This work aims to continue development of a standard sequential extraction protocol and expanding its capabilities to include the …

Global Climate Change: The Political Impact Of Global Warming On Developing Countries. The Case Studies Of Egypt And Oman, Eugene Thomas O'Neal

UNLV Theses, Dissertations, Professional Papers, and Capstones

The discourse of climate change has become important in the field of political science, as well as in the policy-making community. Climate change has become a political phenomenon that has and will greatly impact political stability regionally and globally. Using the ecological security theory as a framework, I explored the relationship between climate change and political stability in developing countries.

This study utilizes both qualitative and quantitative analyses to investigate the relationship between climate change and its effects on political volatility in developing countries. Using regression models, the author examined all non-OECD countries (140 countries) and their relationship to political …

Identification Of Long Term Changes And Evaluation Of The Relationships Among Streamflow Variability And Oceanic-Atmospheric Indices, Soumya Sagarika

UNLV Theses, Dissertations, Professional Papers, and Capstones

To examine the effects of climate variability on streamflow, this thesis presents a comprehensive analysis of the streamflow variability of the continental United States and its association with oceanic-atmospheric indices. First, the presence of trends with consideration of short term and long term persistence followed by shifts over the past years in the continental U.S. streamflow were analyzed by using the non-parametric tests: Mann Kendall and Pettitt. Second, the spatio-temporal relationships between seasonal streamflow variability of continental U.S. and sea surface temperatures (SST) and 500 mbar geopotential height (Z500) of the Pacific and Atlantic were established using the singular valued …

Thermal Impacts Of Salt On Sandstones And Mudstones In The Lusitanian Basin, Portugal, Brett Perry

UNLV Theses, Dissertations, Professional Papers, and Capstones

In order to assess the impact of salt structures on paleotemperatures in adjacent sedimentary rocks, a field based study which quantified thermally driven diagenetic products as a function of distance from salt was undertaken. Several salt diapirs are now exposed at the surface of the Earth within the Lusitanian Basin and offered a unique opportunity to document paleothermal anomalies by studying thermally controlled diagenesis in adjacent, exposed Upper Jurassic rocks. Four transects were chosen within Upper Jurassic rocks that contained both sandstones and mudstones. Quartz cementation and albitization of feldspars, both of which are thermally driven processes, were quantified in …

Exact Controllability Of The Lazer-Mckenna Suspension Bridge Equation, Lanxuan Yu

UNLV Theses, Dissertations, Professional Papers, and Capstones

It is well known that suspension bridges may display certain oscillations under external aerodynamic forces. Since the collapse of the Tacoma Narrows suspension bridge in 1940, suspension bridge models have been studied by many researchers. Based upon the fundamental nonlinearity in suspension bridges that the stays connecting the supporting cables and the roadbed resist expansion, but do not resist compression, new models describing oscillations in suspension bridges have been developed by Lazer and McKenna [Lazer and McKenna (1990)]. Except for a paper by Leiva [Leiva (2005)], there have been very few work on controls of the Lazer-McKenna suspension bridge models …

Decontamination Protocols For Watercraft And Wildland Firefighting Equipment In Preventing The Spread Of Invasive Quagga (Dreissena Rostriformis Bugensis) And Zebra (Dreissena Polymorpha) Mussels, Ashlie Watters

UNLV Theses, Dissertations, Professional Papers, and Capstones

Quagga and zebra mussels (Dreissena rostriformis bugensis and Dreissena polymorpha) are two invasive species introduced via ballast water discharged by large oceanic cargo ships to the North American Great Lakes in the late 1980s. Once established, the mussels spread quickly. In January 2007, D. rostriformis bugensis was discovered in Lake Mead, NV-AZ, and in that same year, mussels were confirmed further south on the Colorado River in Lakes Mojave and Havasu. Dreissenids clog water intake pipes, water filtration systems, and electric generating plants. The mussels also ruin boat motors, damage recreational equipment, and once established in the reservoir, routine maintenance …

Langmuir Probe Instrument Suite For Mesosphere Turbulence Experiment Mission, Adam Blake

Doctoral Dissertations and Master's Theses

The Langmuir probe technique is the predominant in-situ plasma diagnostic technique, and is arguably the only measurement technique that is universally own on every sounding rocket investigation. Earth's mesosphere region (80-120 km) is a host of many dynamic phenomena such as the noctilucent clouds, breaking gravity waves, inversion layers, settlement of mesospheric smoke particles, etc. As such it is critical to have a comprehensive suite of plasma diagnostics that can unambiguously measure various plasma parameters.

This thesis deals with the development and testing of three different Langmuir probe implementations suitable for investigation of the mesosphere which are to be launched …

Human Whole-Blood (1)H2o Longitudinal Relaxation With Normal And High-Relaxivity Contrast Reagents: Influence Of Trans-Cell-Membrane Water Exchange, Gregory J. Wilson, Mark Woods, Charles S. Springer Jr., Sarah Bastawrous, Puneet Bhargava, Jeffrey H. Maki

Chemistry Faculty Publications and Presentations

PURPOSE: Accurate characterization of contrast reagent (CR) longitudinal relaxivity in whole blood is required to predict arterial signal intensity in contrast-enhanced MR angiography (CE-MRA). This study measured the longitudinal relaxation rate constants (R₁ ) over a concentration range for non-protein-binding and protein-binding CRs in ex vivo whole blood and plasma at 1.5 and 3.0 Tesla (T) under physiologic arterial conditions.

METHODS: Relaxivities of gadoteridol, gadobutrol, gadobenate, and gadofosveset were measured for [CR] from 0 to 18 mM [mmol(CR)/L(blood)]: the latter being the upper limit of what may be expected in CE-MRA.

RESULTS: In plasma, the ¹H2 O R …

Orchestrating Service Innovation Using Design Moves: The Dynamics Of Fit Between Service And Enterprise It Architectures, Narayan Ramasubbu, Charles Jason Woodard, Sunil Mithas

Research Collection School Of Computing and Information Systems

Service science perspectives highlight the central role of information technology (IT) in transforming the design and delivery of services. To discern the mechanisms through which IT impacts service innovation, we explore the dynamics of the relationship between enterprise IT and service architectures, and how these dynamics influence the performance of service innovation projects. We conducted six case studies to investigate how firms orchestrated service innovation, focusing on the design of the service architecture and its relationship to enterprise systems. We synthesize the case findings to develop a set of propositions on the antecedents and consequences of fit (or misfit) between …

A Metrics Suite Of Cloud Computing Adoption Readiness, Robert J. Kauffman, Dan Ma, Martin Yu

Research Collection School Of Computing and Information Systems

Recent research on cloud computing adoption indicates that there has been a lack of deep understanding of its benefits by managers and organizations. This has been an obstacle for adoption. We report on an initial design for a firm-level cloud computing readiness metrics suite. We propose categories and measures to form a set of metrics to measure adoption readiness and assess the required adjustments in strategy and management, technology and operations, and business policies. We reviewed the relevant interdisciplinary literature and interviewed industry professionals to ground our metrics based on theory and practice knowledge. We identified four relevant categories for …

Detecting Camouflaged Applications On Mobile Application Markets, Mon Kywe Su, Yingjiu Li, Huijie Robert Deng, Jason Hong

Research Collection School Of Computing and Information Systems

Application plagiarism or application cloning is an emerging threat in mobile application markets. It reduces profits of original developers and sometimes even harms the security and privacy of users. In this paper, we introduce a new concept, called camouflaged applications, where external features of mobile applications, such as icons, screenshots, application names or descriptions, are copied. We then propose a scalable detection framework, which can find these suspiciously similar camouflaged applications. To accomplish this, we apply text-based retrieval methods and content-based image retrieval methods in our framework. Our framework is implemented and tested with 30,625 Android applications from the official …

Detecting Flow Anomalies In Distributed Systems, Freddy Chong-Tat Chua, Ee Peng Lim, Bernardo Huberman

Research Collection School Of Computing and Information Systems

Deep within the networks of distributed systems, one often finds anomalies that affect their efficiency and performance. These anomalies are difficult to detect because the distributed systems may not have sufficient sensors to monitor the flow of traffic within the interconnected nodes of the networks. Without early detection and making corrections, these anomalies may aggravate over time and could possibly cause disastrous outcomes in the system in the unforeseeable future. Using only coarse-grained information from the two end points of network flows, we propose a network transmission model and a localization algorithm, to detect the location of anomalies and rank …

Mydeal: A Mobile Shopping Assistant Matching User Preferences To Promotions, Kartik Muralidharan, Swapna Gottipati, Jing Jiang, Narayan Ramasubbu, Rajesh Krishna Balan

Research Collection School Of Computing and Information Systems

A common problem in large urban cities is the huge number of retail options available. In response, a number of shopping assistance applications have been created for mobile phones. However, these applications mostly allow users to know where stores are or find promotions on specific items. What is missing is a system that factors in a user's shopping preferences and automatically tells them which stores are of their interest. The key challenge in this system is twofold; 1) building a matching algorithm that can combine user preferences with fairly unstructured deals and store information to generate a final rank ordered …

I’Ve Heard You Have Problems: Cellular Signal Monitoring Through Ue Participatory Sensing, Huiguang Liang, Hyong Kim, Hwee-Pink Tan, Wai-Leong Yeow

Research Collection School Of Computing and Information Systems

The operating environment of cellular networks can be in a constant state of change. One Singaporean operator expressed difficulty with the coverage assertion (CA) problem of whether regulated minimum coverage is met, especially in urban areas. Currently, the operator manually appraises coverage through laborious and expensive walk/drive-tests. In this paper, we propose Tattle, a distributed, low-cost and comprehensive cellular network measurement collection and processing framework. We exemplify Tattle by leveraging on participating UEs to report on network coverage in real-time. Tattle exploits wireless local-area interfaces to exchange RSCP measurements amongst devices to preserve the co-locality of readings and conserve power. …

Unisense: A Unified And Sustainable Sensing And Transport Architecture For Large Scale And Heterogeneous Sensor Networks, Yunye Jin, Hwee-Pink Tan

Research Collection School Of Computing and Information Systems

In this paper, we propose UNISENSE, a unified and sustainable sensing and transport architecture for large scale and heterogeneous sensor networks. The proposed architecture incorporates seven principal components, namely, application profiling, node architecture, intelligent network design, network management, deep sensing, generalized participatory sensing, and security. We describe the design and implementation for each component. We also present the deployment and performance of the UNISENSE architecture in four practical applications.

Anomaly Detection Through Enhanced Sentiment Analysis On Social Media Data, Zhaoxia Wang, Victor Joo, Chuan Tong, Xin Xin, Hoong Chor Chin

Research Collection School Of Computing and Information Systems

Anomaly detection in sentiment analysis refers to detecting abnormal opinions, sentiment patterns or special temporal aspects of such patterns in a collection of data. The anomalies detected may be due to sudden sentiment changes hidden in large amounts of text. If these anomalies are undetected or poorly managed, the consequences may be severe, e.g. A business whose customers reveal negative sentiments and will no longer support the establishment. Social media platforms, such as Twitter, provide a vast source of information, which includes user feedback, opinion and information on most issues. Many organizations also leverage social media platforms to publish information …

Comparison Of Upper Tropospheric Carbon Monoxide From Mopitt, Ace-Fts, And Hippo-Qcls, Sara Martínez-Alonzo, Merritt N. Deeter, Helen M. Worden, John C. Gille, Louisa K. Emmons, Laura L. Pan, Mijeong Park, Gloria L. Manney, Peter F. Bernath, Chris D. Boone

Chemistry & Biochemistry Faculty Publications

Products from the Measurements Of Pollution In The Troposphere (MOPITT) instrument are regularly validated using in situ airborne measurements. However, few of these measurements reach into the upper troposphere, thus hindering MOPITT validation in that region. Here we evaluate upper tropospheric (~500 hPa to the tropopause) MOPITT CO profiles by comparing them to satellite Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) retrievals and to measurements from the High-performance Instrumented Airborne Platform for Environmental Research Pole to Pole Observations (HIPPO) Quantum Cascade Laser Spectrometer (QCLS). Direct comparison of colocated v5 MOPITT thermal infrared-only retrievals, v3.0 ACE-FTS retrievals, and HIPPO-QCLS measurements shows …

Second Order-Response Surface Model For The Automated Parameter Tuning Problem, Aldy Gunawan, Hoong Chuin Lau

Research Collection School Of Computing and Information Systems

Several automated parameter tuning procedures/configurators have been proposed in order to find the best parameter setting for a target algorithm. These configurators can generally be classified into model-free and model-based approaches. We introduce a recent approach which is based on the hybridization of both approaches. It combines the Design of Experiments (DOE) and Response Surface Methodology (RSM) with prevailing model-free techniques. DOE is mainly used for determining the importance of parameters. A First Order-RSM is initially employed to define the promising region for the important parameters. A Second Order-RSM is then built to approximate the center point as well as …