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2017

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Study Of Iron Ion Transit Through Three-Fold Channel Of Ferritin Cage, Shah Alam Limon Aug 2017

Study Of Iron Ion Transit Through Three-Fold Channel Of Ferritin Cage, Shah Alam Limon

Graduate Theses/Dissertations

Ferritin is an iron-storage globular protein with an ability to uptake, mineralize and release iron ions in a controllable manner. The globular hollow shell allows storage of mineralized iron, with several channels responsible for the transit of ions into the shell and out of it. Understanding of the detailed molecular functioning of ferritin is required for rational design of biomimetic conjugate nano-biosystems containing ferritin-like constituents. In this work, ferritin was investigated both numerically by all-atom molecular dynamics (MD) simulations, and experimentally by Raman spectroscopy. Molecular dynamic simulations of a model system comprising iron ions (Fe2+) and a ferritin trimer expressing …


Chlorate Formation In On-Site Hypochlorite Generation Facilities: Effects Of Temperature, Ph, And Storage Times, Lukas Simon Kriem Aug 2017

Chlorate Formation In On-Site Hypochlorite Generation Facilities: Effects Of Temperature, Ph, And Storage Times, Lukas Simon Kriem

Graduate Theses/Dissertations

Drinking water is one of the fundamental pillars of modern society, and it is crucial that pathogen-free drinking water be provided to communities. Currently, one third of all drinking water in the U.S. is being disinfected using hypochlorite and the number is rising. However, use of hypochlorite is facing the issue of a hypochlorite byproduct, chlorate ion, which at high concentrations is considered a health risk to humans. During and after its electrolytic generation process, hypochlorite may go through a disproportionation reaction to form chlorate and chloride, a process which is thermodynamically favored. Even though chlorate in drinking water is …


Effects Of Historical Story Telling On Student Understanding Of Nos And Mendelian Genetics, Cody Tyler Williams Aug 2017

Effects Of Historical Story Telling On Student Understanding Of Nos And Mendelian Genetics, Cody Tyler Williams

Dissertations

Science education researchers have long advocated the central role of the nature of science (NOS) for our understanding of scientific literacy. NOS is often interpreted narrowly to refer to a host of epistemological claims associated with the process of science and the limitations of scientific knowledge. Despite its importance, practitioners and researchers alike acknowledge that students have difficulty learning NOS and that this in part reflects how difficult it is to teach. Many teachers are uncomfortable with taking time away from traditional science content instruction. One promising method for teaching NOS and science content involves an explicit and reflective approach …


Preparation, Characterization And Biological Activity Evaluation Of Some Metal Complexes From Novel Schiff Bases Based On Ambroxol Drug, Hoda Ahmed, Walaa H. Mahmoud, Mostafa M.H Khalil, Gehad G. Mohamed, Mostafa A. Radwan Aug 2017

Preparation, Characterization And Biological Activity Evaluation Of Some Metal Complexes From Novel Schiff Bases Based On Ambroxol Drug, Hoda Ahmed, Walaa H. Mahmoud, Mostafa M.H Khalil, Gehad G. Mohamed, Mostafa A. Radwan

Chemical Engineering

Novel Schiff bases were prepared as the condensation product of reaction of 2- hydroxybenzaldehyde and ambroxol drug (H2L1) and the second one from the reaction of 2-quinoline carbaldehyde with ambroxol (HL2). The synthesized Schiff basses were acted as a tridentate ligand for the preparation of new complexes through reaction with the metal ions of Cd(II) and Sn(II). The newly prepared Schiff bases and their metal complexes were characterized using some physicochemical techniques including elemental analysis, FT-IR, UV–Vis, mass spectrometry, conducti-metric measurements as well as thermal analyses (TGA/DTG),. On the basis of these studies, an octahedral geometry for both Cd(II) and …


Method Of Fabricating A Nanochannel System For Dna Sequencing And Nanoparticle Characterization, Chao-Hung Steve Tung, Jin-Woo Kim, Taylor Busch Aug 2017

Method Of Fabricating A Nanochannel System For Dna Sequencing And Nanoparticle Characterization, Chao-Hung Steve Tung, Jin-Woo Kim, Taylor Busch

Patents Granted

A process for fabricating a nanochannel system using a combination of microelectromechanical system (MEMS) microfabrication techniques, atomic force microscopy (AFM) nanolithography, and focused ion beam (FIB). The nanochannel system, fabricated on either a glass or silicon substrate, has channel heights and widths on the order of single to tens of nanometers. The channel length is in the micrometer range. The nanochannel system is equipped with embedded micro and nanoscale electrodes, positioned along the length of the nanochannel for electron tunneling based characterization of nanoscale particles in the channel. Anodic bonding is used to cap off the nanochannel with a cover …


Method Of Fabricating A Nanochannel System For Dna Sequencing And Nanoparticle Characterization, Chao-Hung Steve Tung, Jin-Woo Kim, Taylor Busch Aug 2017

Method Of Fabricating A Nanochannel System For Dna Sequencing And Nanoparticle Characterization, Chao-Hung Steve Tung, Jin-Woo Kim, Taylor Busch

Patents Granted

A process for fabricating a nanochannel system using a combination of microelectromechanical system (MEMS) microfabrication techniques, atomic force microscopy (AFM) nanolithography, and focused ion beam (FIB). The nanochannel system, fabricated on either a glass or silicon substrate, has channel heights and widths on the order of single to tens of nanometers. The channel length is in the micrometer range. The nanochannel system is equipped with embedded micro and nanoscale electrodes, positioned along the length of the nanochannel for electron tunneling based characterization of nanoscale particles in the channel. Anodic bonding is used to cap off the nanochannel with a cover …


The Impact Of Incivility On Hospital-Based Student Nurses, Retention As Licensed Registered Nurses And Their Post-Graduation Employment Choices, Melissa Di Natale Aug 2017

The Impact Of Incivility On Hospital-Based Student Nurses, Retention As Licensed Registered Nurses And Their Post-Graduation Employment Choices, Melissa Di Natale

Education Doctoral

The purpose of this qualitative, phenomenological study was to explore the perceived experiences of incivility, and the impact of those incidences, which occurred during the clinical training portion of the participants’ nursing education. Six newly graduated nurses were identified through referrals from nursing faculty and nursing colleagues. Research was conducted through the use of qualitative research methodology, which included in-depth written feedback, one-to-one interviews, and a focus group. Rich descriptive data was captured and coded to answer the posed research questions. Nursing graduates reported that widespread uncivil behavior existed throughout their clinical nursing training. Three major findings include: recent graduates …


From Poverty To Economic Independence: An Examination Of Factors Contributing To Success And Self-Sufficiency Among Black Male Family Self-Sufficiency Program Participants, Nathaniel V. Sheppard Aug 2017

From Poverty To Economic Independence: An Examination Of Factors Contributing To Success And Self-Sufficiency Among Black Male Family Self-Sufficiency Program Participants, Nathaniel V. Sheppard

Education Doctoral

The purpose of this study was to acquire accurate information concerning the motivations and methods utilized by Black males who have successfully achieved economic independence, as well as the ways in which they maintain their economic independence. The scope of this study was to examine adult Black males who had successfully completed a Family Self-Sufficiency program and are currently economically independent. Using a phenomenological methodology, their experiences and a description of the relationship connecting the problem statement, research question, theory and study design was completed. This study revealed perceptions that were contrary to popular mainstream beliefs about impoverished Black males. …


Sex Differences In Serotonergic And Dopaminergic Mediation Of Lsd Discrimination In Rats, Keli A. Herr Aug 2017

Sex Differences In Serotonergic And Dopaminergic Mediation Of Lsd Discrimination In Rats, Keli A. Herr

Dissertations

After decades of opposition, a resurgence of interest in the psychotherapeutic potential of LSD is gaining acceptance in the medical community. Future acceptance of LSD as a psychotherapeutic adjuvant may be predicated on knowledge about its neural mechanisms of action. Preclinical drug discrimination assay offers an invaluable model to determine the neural mechanisms underlying LSD’s interoceptive stimulus effects. Unfortunately, current preclinical literature on LSD discrimination is based on results obtained exclusively in male subjects. The present study represents the first known preclinical assessment of possible sex differences in the discriminative stimulus effects of LSD.

Adult female (n=8) and male (n=8) …


Lived Experience Of College Students Who Reduced Their Alcohol Consumption, Devin L. Jordan Aug 2017

Lived Experience Of College Students Who Reduced Their Alcohol Consumption, Devin L. Jordan

Dissertations

Research has indicated that college students who experience alcohol-related problems may reduce their alcohol consumption without treatment (Alexander & Bowen, 2004; Barnett, Goldstein, Murphy, Colby, & Monti, 2006; Blume, Marlatt, & Schmaling, 2000; McNally & Palfai, 2001). However, the literature regarding their overall experience before, during, and after this self-initiated change process is limited. This qualitative study investigated the lived experience of eight college students between the ages of 18 and 25 who reduced their alcohol consumption for a period of at least 30 days after experiencing alcohol-related problems. Participants had never met the diagnostic criteria for a “severe” substance …


Investigating Hydrothermal And Radiation Effects On Nitrogen Heterocycles Relevant To Meteorite Parent Bodies, Phillip G. Hammer Aug 2017

Investigating Hydrothermal And Radiation Effects On Nitrogen Heterocycles Relevant To Meteorite Parent Bodies, Phillip G. Hammer

Boise State University Theses and Dissertations

Organic compounds in meteorites were likely transformed by a variety of processes on the asteroid parent body including aqueous, thermal, and radiolytic alteration. Previous studies have identified a suite of purine nitrogen heterocycles in carbonaceous chondrites (a class of meteorites) and determined that their likely origin was due to cyanide chemistry. The thesis research described here consisted of two parts: investigating thermal effects on aqueous ammonium cyanide reactions and the production/survivability of organics (Chapter 2) and investigating gamma radiation effects on purine nitrogen heterocycles to understand how prolonged radiation exposure influenced the distribution and abundance of nitrogen heterocycles measured in …


An Intellectual Framework For Assessing Agricultural Climate Adaptation Combining Stakeholder Engagement And Process Based Modeling: Lower Boise River Basin, Idaho, Andrea Leonard Aug 2017

An Intellectual Framework For Assessing Agricultural Climate Adaptation Combining Stakeholder Engagement And Process Based Modeling: Lower Boise River Basin, Idaho, Andrea Leonard

Boise State University Theses and Dissertations

The impacts of climate change have significant implications for agricultural yields and water use. Previous studies have focused on impacts of climatic factors on crop phenology and yields, with little consideration of local farm management strategies that might mitigate some of these negative effects. Further, the inclusion of stakeholders is commonly left out of many biophysical studies of agricultural landscapes. Therefore, there is considerable uncertainty in the future of regional agroecosystems. In this study, we adopt a social-ecological systems perspective to develop an intellectual framework for assessing agricultural climate adaptation. With research questions focused in both biophysical and social science, …


Multi-Rate Runge-Kutta-Chebyshev Time Stepping For Parabolic Equations On Adaptively Refined Meshes, Talin Mirzakhanian Aug 2017

Multi-Rate Runge-Kutta-Chebyshev Time Stepping For Parabolic Equations On Adaptively Refined Meshes, Talin Mirzakhanian

Boise State University Theses and Dissertations

In this thesis, we develop an explicit multi-rate time stepping method for solving parabolic equations on a one dimensional adaptively refined mesh. Parabolic equations are characterized by their stiffness and as a result are usually solved using implicit time stepping schemes [16]. However, implicit schemes have the disadvantage that they can be expensive in higher dimensions or complicated to implement on adaptive or otherwise non-uniform meshes. Moreover, for coupled systems of parabolic equations, it can be difficult to achieve the expected order of accuracy without using sophisticated operator splitting techniques. For these reasons, we seek to exploit the properties of …


Lysenin Channels As Single Molecule Nano-Sensors And Nano-Switches For Controlled Membrane Permeability, Nisha Shrestha Aug 2017

Lysenin Channels As Single Molecule Nano-Sensors And Nano-Switches For Controlled Membrane Permeability, Nisha Shrestha

Boise State University Theses and Dissertations

Pore-forming toxins secreted by various evolutionarily distant organisms are important components of their innate defense mechanisms. These toxins may kill the target cells by inserting un-regulated channels into the plasma membrane. Tampering with the otherwise well-controlled membrane permeability alters cell homeostasis by contributing to un-controlled dissipation of both chemical and electrical gradients, which is often an essential component of virulence mechanisms leading to cell death. However, the same ability to create nanoscopic conducting pathways, i.e. nanopores, has been exploited for creating powerful tools in nano-biotechnology. Single nano-channels reconstituted in artificial planar lipid membranes are extremely versatile sensors that are capable …


In Vitro And In Vivo Studies Of Chemotherapeutic Doxorubicin Analogs, Sangphil Moon Aug 2017

In Vitro And In Vivo Studies Of Chemotherapeutic Doxorubicin Analogs, Sangphil Moon

Boise State University Theses and Dissertations

Anthracyclines remain widely prescribed and successful anticancer agents, despite serious side effects. Doxorubicin (DOX) is the most prominent anthracycline used to treat many cancers, including hematologic malignancies, soft-tissue sarcomas, cancers of the head and neck, and breast cancer. However, the clinical application of DOX is limited by the development of life-threatening cardiomyopathy and congestive heart failure. The main mechanisms of cardiotoxicity are thought to be mediated through the C-13 carbonyl and quinone ring structures in DOX. To improve the anticancer activity and reduce the cardiotoxic side effects of DOX, two synthetic analogs (GPX-150 and GPX-160) were developed and tested for …


Generalized Partial Least Squares Approach For Nominal Multinomial Logit Regression Models With A Functional Covariate, Amani Mohammed H Albaqshi Aug 2017

Generalized Partial Least Squares Approach For Nominal Multinomial Logit Regression Models With A Functional Covariate, Amani Mohammed H Albaqshi

Dissertations

Functional Data Analysis (FDA) has attracted substantial attention for the last two decades. Within FDA, classifying curves into two or more categories is consistently of interest to scientists, but multi-class prediction within FDA is challenged in that most classification tools have been limited to binary response applications. The functional logistic regression (FLR) model was developed to forecast a binary response variable in the functional case. In this study, a functional nominal multinomial logit regression (F-NM-LR) model was developed that shifts the FLR model into a multiple logit model. However, the model generates inaccurate parameter function estimates due to multicollinearity in …


Moving Forward In Circles: Challenges And Opportunities In Modelling Population Cycles, Frédéric Barraquand, Stilianos Louca, Karen C. Abbott, Christina A. Cobbold, Flora Cordoleani, Donald L. Deangelis, Bret D. Elderd, Jeremy W. Fox, Priscilla Greenwood, Frank M. Hilker, Dennis L. Murray, Christopher R. Stieha, Rachel A. Taylor, Kelsey Vitense, Gail S.K. Wolkowicz, Rebecca C. Tyson Aug 2017

Moving Forward In Circles: Challenges And Opportunities In Modelling Population Cycles, Frédéric Barraquand, Stilianos Louca, Karen C. Abbott, Christina A. Cobbold, Flora Cordoleani, Donald L. Deangelis, Bret D. Elderd, Jeremy W. Fox, Priscilla Greenwood, Frank M. Hilker, Dennis L. Murray, Christopher R. Stieha, Rachel A. Taylor, Kelsey Vitense, Gail S.K. Wolkowicz, Rebecca C. Tyson

Faculty Publications

© 2017 John Wiley & Sons Ltd/CNRS Population cycling is a widespread phenomenon, observed across a multitude of taxa in both laboratory and natural conditions. Historically, the theory associated with population cycles was tightly linked to pairwise consumer–resource interactions and studied via deterministic models, but current empirical and theoretical research reveals a much richer basis for ecological cycles. Stochasticity and seasonality can modulate or create cyclic behaviour in non-intuitive ways, the high-dimensionality in ecological systems can profoundly influence cycling, and so can demographic structure and eco-evolutionary dynamics. An inclusive theory for population cycles, ranging from ecosystem-level to demographic modelling, grounded …


Novel Anti-Obesity Effects Of Beer Hops Compound Xanthohumol: Role Of Ampk Signaling Pathway, Janaiya S Samuels Aug 2017

Novel Anti-Obesity Effects Of Beer Hops Compound Xanthohumol: Role Of Ampk Signaling Pathway, Janaiya S Samuels

PCOM Biomedical Studies Student Scholarship

Obesity, a chronic disease, is a global epidemic that affects millions of lives and increases the risk of several comorbidities such as Type 2 diabetes, musculoskeletal disorders, cardiovascular disease, and cancer. Obesity is the leading cause of death globally, and is associated with an excessive accumulation of white adipose tissue (WAT). Although obesity is a serious condition, safe, long-term drug therapies are limited. A second type of adipose tissue is known as brown adipose tissue (BAT), which functions as an energy dissipater in the form of heat, as opposed to energy storing WAT. Previous research has shown that the mitochondrial …


Six Secrets Nature Thrives By: Intro To Living Organically, Petr Cincala Aug 2017

Six Secrets Nature Thrives By: Intro To Living Organically, Petr Cincala

Human Subject Research Archive

Closer look at six simple principles/forces present in nature, practical examples of how nature is thriving through them and also how both nature and humans are harmed when living in disharmony with these natural laws. These principles applied into everyday life can bring amazing results experiencing personal growth.


Design, Development And Implementation Of Intelligent Algorithms To Increase Autonomy Of Quadrotor Unmanned Missions, Diego F. Garcia Herrera Aug 2017

Design, Development And Implementation Of Intelligent Algorithms To Increase Autonomy Of Quadrotor Unmanned Missions, Diego F. Garcia Herrera

Doctoral Dissertations and Master's Theses

This thesis presents the development and implementation of intelligent algorithms to increase autonomy of unmanned missions for quadrotor type UAVs. A six-degree-of freedom dynamic model of a quadrotor is developed in Matlab/Simulink in order to support the design of control algorithms previous to real-time implementation. A dynamic inversion based control architecture is developed to minimize nonlinearities and improve robustness when the system is driven outside bounds of nominal design. The design and the implementation of the control laws are described. An immunity-based architecture is introduced for monitoring quadrotor health and its capabilities for detecting abnormal conditions are successfully demonstrated through …


A Replication Study Of Personality Types Of Students In A Professional Pilot Baccalaureate Degree Program, Stephanie Gill Fussell Aug 2017

A Replication Study Of Personality Types Of Students In A Professional Pilot Baccalaureate Degree Program, Stephanie Gill Fussell

Doctoral Dissertations and Master's Theses

The personality types and learning styles of students have been studied in several populations, yet the research analyzing aviation students is lacking. A replication study assessed the distribution of personality types of students enrolled in the aeronautical science baccalaureate degree program at Embry-Riddle Aeronautical University (ERAU). In addition, this study assessed aviation student learning styles. The Myers-Briggs Type Indicator (MBTI) Form M and the Kolb Learning Style Inventory (KLSI) were used to analyze the personality types and learning styles, respectively. Selection ratio type tables compared the distribution of personality types of aviation students to the traditional college student sample and …


Multiple Path Particle Dosimetry For Prediction Of Mouse Lung Deposition Of Nanoaerosol Particles, Mohammed Ali Aug 2017

Multiple Path Particle Dosimetry For Prediction Of Mouse Lung Deposition Of Nanoaerosol Particles, Mohammed Ali

Technology Faculty Publications and Presentations

Nanoaerosolized particle (dia.<200 >nm) antibiotic inhalation therapy was tested to treat pneumonic tularemia in mice caused by Francisella novicida infection. Very limited experimental techniques are available to properly estimate inhaled doses and distribution of the drug inside the mouse lungs. To overcome this problem, computational simulation of particle deposition based on the Multiple Path Particle Dosimetry (MPPD) model was employed to simulate in vivo experimental conditions which included nasal breathing with whole body exposure to the antibiotic in the form of nano-aerosolized medicine. The deposition results were compared with several in vivo experimental data reported in literature; and satisfactory agreements …


Coping And Africultural Adolescents, Britne R. Amos Aug 2017

Coping And Africultural Adolescents, Britne R. Amos

Dissertations

The present study explored approaches to coping among Africultural, college students between the ages of 18 and 22 years. Coping strategies applied to Africultural adolescents and young adults have been studied from a majority culture, adult lens. In this context, Africultural is used to refer to people of self-identified African descent including and not limited to people who identify as African American (e.g., parent(s) were born in America, individual was born in America), of African descent and living in America (e.g., parents were born in Africa, individual was born in Africa), mixed African American and another ethnic group including Latino/a, …


The Impact Of Supportive Parenting On Career Confidence Of Young Adults, Salma Ettefagh Aug 2017

The Impact Of Supportive Parenting On Career Confidence Of Young Adults, Salma Ettefagh

UNLV Theses, Dissertations, Professional Papers, and Capstones

Despite freedoms for women in modern economies, there remains a large disparity between female graduation rates and women achieving high-ranking positions in the business world. Confidence may be one factor why women are underrepresented in the executive class.This

exploratory research investigated if supportive parenting has an effect on self-reported career confidence among undergraduates. A quantitative ANOVA analysis found that instrumental support factors (for example, money and tuition) overall were significant in predicting performance-based confidence, particularly for males. However, qualitative results showed that supportive parenting and confidence are not always correlated.


Optimization Of Prosthetic Hands: Utilizing Modularity To Improve Grip Force, Grasp, And Versatility, Jordan William Harris Aug 2017

Optimization Of Prosthetic Hands: Utilizing Modularity To Improve Grip Force, Grasp, And Versatility, Jordan William Harris

UNLV Theses, Dissertations, Professional Papers, and Capstones

It has been demonstrated that although many varieties of upper limb prosthetics exist, commercially available prosthetics are outdated and unsatisfactory. Ineffectiveness and limitations have led to some prosthesis wearers having to own multiple devices, whereas others have given up on them entirely. Even though ample research has been conducted to design and test new hand designs, the industry appears to rest in an overall stagnated state.

It was proposed here, that one problem with prosthetic research is an excess of variables involved in testing, and therefore the improper application of the scientific method. It seems that each time a research …


Eye Repair In Xenopus Laevis, Cindy Xuan-Mai Kha Aug 2017

Eye Repair In Xenopus Laevis, Cindy Xuan-Mai Kha

UNLV Theses, Dissertations, Professional Papers, and Capstones

Eye development in vertebrates of complex steps that include specific interactions of the neuroectoderm and overlying head ectoderm. The African clawed frog, Xenopus laevis (X. laevis), has a well-characterize eye developmental pathway and is an established model for eye regeneration research. Additionally, Xenopus frogs have high regenerative abilities to regenerate individual eye tissues such as the retina, lens, and cornea. However, it was previously shown that the removal of the specified eye field during the neurulation stage or an eye during the swimming tadpole stage does not permit an eye to regenerate. Here we will describe a model for investigating …


Meshless Method For Simulation Of Compressible Flow, Ebrahim Nabizadeh Shahrebabak Aug 2017

Meshless Method For Simulation Of Compressible Flow, Ebrahim Nabizadeh Shahrebabak

UNLV Theses, Dissertations, Professional Papers, and Capstones

In the present age, rapid development in computing technology and high speed supercomputers has made numerical analysis and computational simulation more practical than ever before for large and complex cases. Numerical simulations have also become an essential means for analyzing the engineering problems and the cases that experimental analysis is not practical. There are so many sophisticated and accurate numerical schemes, which do these simulations. The finite difference method (FDM) has been used to solve differential equation systems for decades. Additional numerical methods based on finite volume and finite element techniques are widely used in solving problems with complex geometry. …


Social Cognition In Children With Attention-Deficit/Hyperactivity Disorder, Elyse Parke Aug 2017

Social Cognition In Children With Attention-Deficit/Hyperactivity Disorder, Elyse Parke

UNLV Theses, Dissertations, Professional Papers, and Capstones

Attention-Deficit/Hyperactivity Disorder (ADHD) is a neurodevelopmental disorder, which impacts behavioral outcomes, including social functioning. Children with ADHD demonstrate impairment across a number of social domains, including aggressive behavior, poor social skills, and higher rates of Oppositional Defiant Disorder compared to typically developing peers. However, the underlying neurocognitive underpinnings of these poor social outcomes are unclear. Furthermore, little is known regarding the impact of ADHD symptomatology on aspects of social cognition. Inattention, hyperactivity, and impulsivity may differentially impact components of social cognition. Determining whether performance on social cognition tasks is predictive of social skills and problem behaviors is also an area …


A Comparison Of Outdoor Bioaerosol And Particulate Measurements In Las Vegas, Tanviben Yogeshkumar Patel Aug 2017

A Comparison Of Outdoor Bioaerosol And Particulate Measurements In Las Vegas, Tanviben Yogeshkumar Patel

UNLV Theses, Dissertations, Professional Papers, and Capstones

The urbanization of the Las Vegas Valley has turned the desert into a green oasis by introducing many non-native plant species, some of which are allergenic. Outdoor bioaerosols consist of microorganisms, pollen, spores, and other agents that could cause infections or affect the health of humans. Studies have suggested that exposure to bioaerosols through inhalation can lead to various human health risks. Typically, one monitoring station is established per city to obtain pollen and mold counts for an entire metropolitan area, and the site may not be representative of community exposures. The objective of this study was to measure and …


Improved Partial Charge Models In Siliceous Zeolites For The Simulation Of Adsorption And Identification Of Catalytic Sites, Jarod J. Wolffis Aug 2017

Improved Partial Charge Models In Siliceous Zeolites For The Simulation Of Adsorption And Identification Of Catalytic Sites, Jarod J. Wolffis

UNLV Theses, Dissertations, Professional Papers, and Capstones

Utilization of computational modelling and simulation is expanding as computer processing power has increased and as new tools have been developed. This thesis focuses on efforts to improve the accuracy of simulations in aluminosilicate zeolites, an industrially important category of materials for catalysis and separations. For these sorbents, partial atomic charge represents a critical parameter in molecular mechanics simulations, determining the Coulombic non-bonding interaction. Partial charges may also be used as a measure of important physical parameters of the system such as the degree of covalency or the relative acidity of catalytic sites. We compare several common methods for predicting …