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Articles 11011 - 11040 of 11790
Full-Text Articles in Physical Sciences and Mathematics
Design Of Revising Proximity Between Space And Time Cues On Flight Deck Displays To Support Nextgen – The First Phase, Chang-Geun Oh, Jennie J. Gallimore, Pamela S. Tsang
Design Of Revising Proximity Between Space And Time Cues On Flight Deck Displays To Support Nextgen – The First Phase, Chang-Geun Oh, Jennie J. Gallimore, Pamela S. Tsang
International Journal of Aviation, Aeronautics, and Aerospace
The objective of this study is to develop and evaluate novel display formats to support RTA operations for near to midterm NextGen. Traditional cockpit displays separate space and time information in distant display sources in heterogeneous formats (graphics vs. text). This design composition may cause potential pilot errors when required time of arrival (RTA) obligations are imposed at every waypoint in NextGen. Pilots were randomly assigned to four different display conditions in a simulator – one traditional display with distant space and time cues, and three novel displays with close spatial proximity between the two cues. In the first phase …
Design Of Revising Proximity Between Space And Time Cues On Flight Deck Displays To Support Nextgen – The Second Phase, Chang-Geun Oh, Jennie J. Gallimore, Pamela S. Tsang
Design Of Revising Proximity Between Space And Time Cues On Flight Deck Displays To Support Nextgen – The Second Phase, Chang-Geun Oh, Jennie J. Gallimore, Pamela S. Tsang
International Journal of Aviation, Aeronautics, and Aerospace
The prior first phase of this study investigated the effectiveness of new design of flight deck display for required time of arrival operation of NextGen by collecting objective query response data during autopilot flights and subjective data about the perception between display condition and situation awareness level. To evaluate pilots’ mental workload during the operations when they interacted with novel flight deck display design, this second phase provided pilots with simulation flight tasks arriving at four successive waypoints on time in the same display conditions as the first phase and asked them to rate their mental workload ratings. The workload …
A Study Into The Feasibility Of Using Natural Language Processing And Machine Learning For The Identification Of Alcohol Misuse In Trauma Patients, Andrew Phillips
A Study Into The Feasibility Of Using Natural Language Processing And Machine Learning For The Identification Of Alcohol Misuse In Trauma Patients, Andrew Phillips
Master's Theses
Alcohol misuse is a leading cause of premature death in the United States, with nearly a third of trauma patients found to have elevated blood alcohol levels upon admission. However, timely intervention has been shown to reduce this. It is thus important to be able to quickly screen patients to identify alcohol misuse. Many medical centers use standardized questionnaires to identify alcohol misuse, but since these instruments are not usually a part of routine care, there are many cases where it is not done.
In this study, large quantities of notes were processed with natural language processing and machine learning …
Toddler Activity Recognition Using Machine Learning, Pinky Sindhu
Toddler Activity Recognition Using Machine Learning, Pinky Sindhu
Master's Theses
Pinky Sindhu
Loyola University Chicago
TODDLER ACTIVITY RECOGNITION USING MACHINE LEARNING
Toddlers behave differently than adults, to say the least. It is valuable to accurately measure the specific types of physical activity (PA) in toddlers; such information can be analyzed to predict future health prospects in relation to conditions like obesity.
We attached ActiGraph accelerometers to the wrist and waist of toddlers and recorded PAs. Toddlers were videotaped, and their movements were annotated as 20 specific activities. These activities were classified into 3 summary activity intensities including sedentary, light intensity PA (LPA), and moderate to vigorous intensity PA (MVPA).
Automated …
Mechanistic Investigations Of The Iron(Iii)-Catalyzed Carbonyl-Olefin Metathesis Reaction, Susan Phan
Mechanistic Investigations Of The Iron(Iii)-Catalyzed Carbonyl-Olefin Metathesis Reaction, Susan Phan
Master's Theses
Iron(III)-catalyzed carbonyl-olefin ring-closing metathesis represents a new approach toward the assembly of molecules traditionally generated by olefinˆ’olefin metathesis or olefination. Herein, we report detailed synthetic, spectroscopic, kinetic, and computational studies to determine the mechanistic features imparted by iron(III), substrate, and temperature to the catalytic cycle. These data are consistent with an iron(III)-mediated asynchronous, concerted [2+2]-cycloaddition to form an intermediate oxetane as the turnover-limiting step. Fragmentation of the oxetane via Lewis acid-activation results in the formation of five- and six-membered unsaturated carbocycles.
Encrusting Sclerobiont Paleoecology And Bioerosion Of Oysters In The Type Campanian (Upper Cretaceous) Of Southwestern France, Macy A. Conrad
Encrusting Sclerobiont Paleoecology And Bioerosion Of Oysters In The Type Campanian (Upper Cretaceous) Of Southwestern France, Macy A. Conrad
Senior Independent Study Theses
The Campanian Stage of the Upper Cretaceous was established by Henri Coquand in 1857 based on a sequence of richly fossiliferous shallow water carbonates in the Charente and Charente-Maritime departments of southwestern France. One of the most common macrofossils is the gryphaeid oyster Pycnodonte vesicularis (Lamarck, 1806), which often forms extensive shell beds. This bivalve lived primarily on soft marly substrates, forming hard substrate islands. They frequently supported sclerobiont communities comprising encrusters (diverse cheilostome and cyclostome bryozoans, foraminiferans, oysters, bivalves, sabellid and serpulid polychaetes, calcareous sponges), borers (the sponge borings Entobia, the worm borings Maeandropolydora and Caulostrepsis, the barnacle borings …
Logic -> Proof -> Rest, Maxwell Taylor
Logic -> Proof -> Rest, Maxwell Taylor
Senior Independent Study Theses
REST is a common architecture for networked applications. Applications that adhere to the REST constraints enjoy significant scaling advantages over other architectures. But REST is not a panacea for the task of building correct software. Algebraic models of computation, particularly CSP, prove useful to describe the composition of applications using REST. CSP enables us to describe and verify the behavior of RESTful systems. The descriptions of each component can be used independently to verify that a system behaves as expected. This thesis demonstrates and develops CSP methodology to verify the behavior of RESTful applications.
Inclusion Of Blocking Power For A Complete Voting Power Analysis In The Imf, Shiwani Varal
Inclusion Of Blocking Power For A Complete Voting Power Analysis In The Imf, Shiwani Varal
Senior Independent Study Theses
The International Monetary Fund (IMF) calculates the voting power of a country by dividing the total of one member's votes by the total of all members' votes. This method of calculating the power of a state judges power as voting weight. However, voting weights are the total number of votes a country has in an institution, while voting power is the influence a country has on a policy decision. A better approach to calculate this voting power within an institution is by using voting power indices. However, literature only calculates the winning power, while voting power is defined as the …
Sports Analytics With Computer Vision, Colby T. Jeffries
Sports Analytics With Computer Vision, Colby T. Jeffries
Senior Independent Study Theses
Computer vision in sports analytics is a relatively new development. With multi-million dollar systems like STATS’s SportVu, professional basketball teams are able to collect extremely fine-detailed data better than ever before. This concept can be scaled down to provide similar statistics collection to college and high school basketball teams. Here we investigate the creation of such a system using open-source technologies and less expensive hardware. In addition, using a similar technology, we examine basketball free throws to see whether a shooter’s form has a specific relationship to a shot’s outcome. A system that learns this relationship could be used to …
If I Had A Million Cryptos: Cryptowallet Application Analysis And A Trojan Proof-Of-Concept, Trevor Haigh, Frank Breitinger, Ibrahim Baggili
If I Had A Million Cryptos: Cryptowallet Application Analysis And A Trojan Proof-Of-Concept, Trevor Haigh, Frank Breitinger, Ibrahim Baggili
Electrical & Computer Engineering and Computer Science Faculty Publications
Cryptocurrencies have gained wide adoption by enthusiasts and investors. In this work, we examine seven different Android cryptowallet applications for forensic artifacts, but we also assess their security against tampering and reverse engineering. Some of the biggest benefits of cryptocurrency is its security and relative anonymity. For this reason it is vital that wallet applications share the same properties. Our work, however, indicates that this is not the case. Five of the seven applications we tested do not implement basic security measures against reverse engineering. Three of the applications stored sensitive information, like wallet private keys, insecurely and one was …
Data Descriptor: Compilation Of Climate Data From Heterogeneous Networks Across The Hawaiian Islands, Ryan J. Longman, Thomas W. Giambelluca, Michael A. Nullet, Abby G. Frazier, Kevin Kodama, Shelley D. Crausbay, Paul D. Krushelnycky, Susan Cordell, Martyn P. Clark, Andy J. Newman, Jeffrey R. Arnold
Data Descriptor: Compilation Of Climate Data From Heterogeneous Networks Across The Hawaiian Islands, Ryan J. Longman, Thomas W. Giambelluca, Michael A. Nullet, Abby G. Frazier, Kevin Kodama, Shelley D. Crausbay, Paul D. Krushelnycky, Susan Cordell, Martyn P. Clark, Andy J. Newman, Jeffrey R. Arnold
Geography
Long-term, accurate observations of atmospheric phenomena are essential for a myriad of applications, including historic and future climate assessments, resource management, and infrastructure planning. In Hawai'i, climate data are available from individual researchers, local, State, and Federal agencies, and from large electronic repositories such as the National Centers for Environmental Information (NCEI). Researchers attempting to make use of available data are faced with a series of challenges that include: (1) identifying potential data sources; (2) acquiring data; (3) establishing data quality assurance and quality control (QA/QC) protocols; and (4) implementing robust gap filling techniques. This paper addresses these challenges by …
Participatory Gis As A Tool For Stakeholder Engagement In Building Resilience To Sea Level Rise: A Demonstration Project, Juita-Elena (Wie) Yusuf, Pragati Rawat, Carol Considine, Michelle Covi, Burton St. John Iii, J. Gail Nicula, Khairul A. Anuar
Participatory Gis As A Tool For Stakeholder Engagement In Building Resilience To Sea Level Rise: A Demonstration Project, Juita-Elena (Wie) Yusuf, Pragati Rawat, Carol Considine, Michelle Covi, Burton St. John Iii, J. Gail Nicula, Khairul A. Anuar
School of Public Service Faculty Publications
This article describes a participatory geographical information system (PGIS) demonstration project used as part of the stakeholder engagement efforts undertaken by the Citizen Engagement Working Group of the Hampton Roads Sea Level Rise Preparedness and Resilience Intergovernmental Planning Pilot Project. The PGIS demonstration project was conducted in the Little Creek/Pretty Lake case study area in the Hampton Roads region of southeastern coastal Virginia. PGIS served as a deliberative and participatory mechanism to obtain local knowledge from residents about the location of valued assets within the community and locations challenged by increased flooding and sea level rise. The PGIS application, using …
Trace Element And Isotopic Fingerprinting Of Olivine Phenocrysts As Recorders Of Magmatic Processes In The Golden Trout Volcanic Field, Kern Plateau, Ca, Mark E. Szymanski
Trace Element And Isotopic Fingerprinting Of Olivine Phenocrysts As Recorders Of Magmatic Processes In The Golden Trout Volcanic Field, Kern Plateau, Ca, Mark E. Szymanski
Cal Poly Humboldt theses and projects
Quaternary mafic volcanism in the western Basin and Range and in the southeastern Sierra Nevada is largely controlled by extensional stresses that promote magma generation through decompression melting of the lithospheric and asthenospheric mantle. Where volcanism occurs in the Sierra Nevada, like at the Golden Trout Volcanic Field GTVF), the eruption rate, number of vents, and eruption volume is an order of magnitude less than at neighboring Basin and Range volcanic fields such as the Big Pine Volcanic Field (BPVF). To determine the factors that cause these differences in adjacent and contemporaneous volcanic fields, I sampled rocks from both fields …
Assessing Spatio-Temporal Patterns Of Forest Decline Across A Diverse Landscape In The Klamath Mountains Using A 28-Year Landsat Time-Series Analysis, Drew S. Bost
Cal Poly Humboldt theses and projects
Rates of tree mortality in California and the Pacific Northwest have greatly increased in recent years, driven largely by pest and pathogen outbreaks as well as the effects of hotter, warmer droughts. While there have been a multitude of regional-scale assessments of mortality and forest decline, landscape-level studies are necessary to better identify forests that are most vulnerable to decline and to anticipate future changes. This need is particularly notable in the remote and little-studied mountains of northwest California, which are renowned for their diverse, heterogeneous vegetation types. A recent observation of elevated levels of Shasta red fir (Abies …
Continued Monitoring Of The Effects Of Two Dam Removals On The Middle Cuyahoga River Summit County, Ohio, Connor Estes
Continued Monitoring Of The Effects Of Two Dam Removals On The Middle Cuyahoga River Summit County, Ohio, Connor Estes
Williams Honors College, Honors Research Projects
In order to improve water quality of the middle Cuyahoga River, the Munroe Falls and Lefever Dams were removed in 2005, and 2013, respectively. These dam removals have provided an opportunity to quantify how rivers respond to dam removal. This thesis research extends eleven years of river morphology monitoring by measuring channel sedimentologic properties of sediment samples as well as geomorphic transects in 2016 and determined the volume of impoundment sediment prior to the removal of the Munroe Falls Dam.
In the three years following the removal of the Munroe Falls Dam, flow energy increased and the sediment in the …
Comparing Various Machine Learning Statistical Methods Using Variable Differentials To Predict College Basketball, Nicholas Bennett
Comparing Various Machine Learning Statistical Methods Using Variable Differentials To Predict College Basketball, Nicholas Bennett
Williams Honors College, Honors Research Projects
The purpose of this Senior Honors Project is to research, study, and demonstrate newfound knowledge of various machine learning statistical techniques that are not covered in the University of Akron’s statistics major curriculum. This report will be an overview of three machine-learning methods that were used to predict NCAA Basketball results, specifically, the March Madness tournament. The variables used for these methods, models, and tests will include numerous variables kept throughout the season for each team, along with a couple variables that are used by the selection committee when tournament teams are being picked. The end goal is to find …
Smart-Teleprompter: An Online Teleprompter With Text Editing, Mikyla Wilfred
Smart-Teleprompter: An Online Teleprompter With Text Editing, Mikyla Wilfred
Williams Honors College, Honors Research Projects
Mikyla Wilfred
Major: Computer Science
Project Sponsor: Dr. Collard
Number of Project Credits: 3
Smart-Teleprompter
The smart-teleprompter is a website that allows a logged in user to edit text files as well as teleprompt them straight to the screen. A teleprompter is used by newscasters and other media professionals to read scripts while still looking at or near the camera. My project uses this concept creating a page that defaults to white font on a black background that can scroll through the script. The website allows the logged in user to save defaults of font color, background color, font style …
Effect Of A Pre-Existing Lattice Preferred Orientation On The Strength Of Quartzite, Casey Braccia
Effect Of A Pre-Existing Lattice Preferred Orientation On The Strength Of Quartzite, Casey Braccia
Williams Honors College, Honors Research Projects
Ductile deformation of the middle to lower crust during interseismic periods influences loading of brittle faults in the upper crust. Quartz is a common mineral in the middle to lower continental crust and is thought to significantly affect the strength of this zone. Quartz deformed by dislocation creep produces a crystallographic alignment of quartz grains, or lattice preferred orientation (LPO), because deformation is easier along specific crystallographic planes and directions. However, formation of a LPO may cause the strength of the quartz aggregates to be anisotropic, approaching the properties of a single crystal.
In order to determine the viscous anisotropy …
Comparing The Usage Of React Native And Ionic, Sam Borick
Comparing The Usage Of React Native And Ionic, Sam Borick
Williams Honors College, Honors Research Projects
This project will compare two popular programming frameworks for building mobile applications. These frameworks are called ‘cross-platform frameworks’ as they can develop applications on multiple platforms. The scope of this project is to understand the structural reasons for the differences in these frameworks. While this project does speculate on reasons for choosing either framework, this project does not attempt to make a hard recommendation.
In this project, I built two applications, as similar as possible, in React Native and Ionic. I found that there were differences in the goals of these frameworks, lending each of the two better to different …
Using A Coupled Bio-Economic Model To Find The Optimal Phosphorus Load In Lake Tainter, Wi, Mackenzie Jones
Using A Coupled Bio-Economic Model To Find The Optimal Phosphorus Load In Lake Tainter, Wi, Mackenzie Jones
Williams Honors College, Honors Research Projects
In Dunn County, Wisconsin the lakes suffer from algae blooms due to excess phosphorus runoff. A coupled bio-economic model is studied with the intent of finding the optimal level of phosphorus that should be allowed into the lake depending on certain biologic and economic parameters. We model the algae and phosphorus concentration in the lake over time based off the phosphorus input. Community welfare is modeled by comparing the costs and benefits of phosphorus fertilizer. This model is proposed to find the phosphorus level that maximizes community welfare and then determine how certain environmental and social change initiatives will affect …
Two Notes On A Piano, Samuel Thomas
Two Notes On A Piano, Samuel Thomas
Williams Honors College, Honors Research Projects
In an increasingly digital world, the analog tends to be neglected in exchange for the convenience and precision of digital devices. However, many analog systems exhibit physical phenomena that can be difficult to reproduce digitally. The purpose of this project is to explore the piano and parts of its sonic character that are not currently accounted for in digital systems. Specifically, when multiple notes are being propagated on a soundboard, they affect each other’s tone because each one changes the state of the soundboard. The effect is evident in the partials of each note: the partials (not quite harmonics but …
Examining The Influence Of Technology Acceptance, Self-Efficacy, And Locus Of Control On Information Security Behavior Of Social Media Users, Abdullah Almuqrin
Examining The Influence Of Technology Acceptance, Self-Efficacy, And Locus Of Control On Information Security Behavior Of Social Media Users, Abdullah Almuqrin
Master's Theses and Doctoral Dissertations
Due to recent advances in online communication technology, social networks have become a vital avenue for human interaction. At the same time, they have been exploited as a target for viruses, attacks, and security threats. The first line of defense against such attacks and threats— as well as their primary cause—are social media users themselves. This study investigated the relationship between certain personality factors among social media users—i.e., technology acceptance of security protection technologies, self-efficacy of information security, and locus of control—and their information security behavior. Quantitative methods were used to examine this relationship. The population consisted of all students …
Enhanced Control And Reproducibility Of Non-Neutral Plasmas, Timothy Tharp, M. Ahmadi, B. X. R. Alves, C. J. Baker, W. Bertsche, A. Capra, C. Carruth, C. L. Cesar, M. Charlton, S. Cohen, R. Collister, S. Eriksson, A. Evans, N. Evetts, J. Fajans, T. Friesen, M. C. Fujiwara, D. R. Gill, J. S. Hangst, W. N. Hardy, M. E. Hayden, C. A. Isaac, M. A. Johnson, S. A. Jones, S. Jonsell, L. Kurchaninov, N. Madsen, M. Mathers, D. Maxwell, J. T. K. Mckenna, S. Menary, T. Momose, J. J. Munich, K. Olchanski, A. Olin, P. Pusa, C. O. Rasmussen, F. Robicheaux, R. L. Sacramento, M. Sameed, E. Sarid, D. M. Silveira, C. So, G. Stutter, J. E. Thompson, R. I. Thompson, D. P. Van Der Werf, J. S. Wurtele
Enhanced Control And Reproducibility Of Non-Neutral Plasmas, Timothy Tharp, M. Ahmadi, B. X. R. Alves, C. J. Baker, W. Bertsche, A. Capra, C. Carruth, C. L. Cesar, M. Charlton, S. Cohen, R. Collister, S. Eriksson, A. Evans, N. Evetts, J. Fajans, T. Friesen, M. C. Fujiwara, D. R. Gill, J. S. Hangst, W. N. Hardy, M. E. Hayden, C. A. Isaac, M. A. Johnson, S. A. Jones, S. Jonsell, L. Kurchaninov, N. Madsen, M. Mathers, D. Maxwell, J. T. K. Mckenna, S. Menary, T. Momose, J. J. Munich, K. Olchanski, A. Olin, P. Pusa, C. O. Rasmussen, F. Robicheaux, R. L. Sacramento, M. Sameed, E. Sarid, D. M. Silveira, C. So, G. Stutter, J. E. Thompson, R. I. Thompson, D. P. Van Der Werf, J. S. Wurtele
Physics Faculty Research and Publications
The simultaneous control of the density and particle number of non-neutral plasmas confined in Penning-Malmberg traps is demonstrated. Control is achieved by setting the plasma’s density by applying a rotating electric field while simultaneously fixing its axial potential via evaporative cooling. This novel method is particularly useful for stabilizing positron plasmas, as the procedures used to collect positrons from radioactive sources typically yield plasmas with variable densities and particle numbers; it also simplifies optimization studies that require plasma parameter scans. The reproducibility achieved by applying this technique to the positron and electron plasmas used by the ALPHA antihydrogen experiment at …
Salt Retention In Wetland Soils And Effects On Dissolved Organic Carbon Export, Kayla Marie Mcguire
Salt Retention In Wetland Soils And Effects On Dissolved Organic Carbon Export, Kayla Marie Mcguire
Master's Theses and Doctoral Dissertations
Deicing salt runoff has negative effects on ecosystems. Wetland ecosystems can act as important filters for runoff pollution (e.g., nutrients), mitigating damage to plants and microbes. Wetlands are important sinks for nutrients and pollutants (e.g., road salt) and transformation spots for many nutrients including carbon. The interactions between deicing salt runoff and wetland soil carbon were explored by measuring chloride export and retention, dissolved organic carbon (DOC) export, and carbon quality using mesocosm experiments. Net retention of Cl- was highest in soils receiving high salt treatments (5.0 g/L NaCl), although percent retention of Cl- was greater in soils receiving moderate …
Strength Of Π-Stacking, From Neutral To Cation: Precision Measurement Of Binding Energies In An Isolated Π-Stacked Dimer, Damian Kokkin, Maxim V. Ivanov, John Loman, Jin-Zhe Cai, Rajendra Rathore, Scott A. Reid
Strength Of Π-Stacking, From Neutral To Cation: Precision Measurement Of Binding Energies In An Isolated Π-Stacked Dimer, Damian Kokkin, Maxim V. Ivanov, John Loman, Jin-Zhe Cai, Rajendra Rathore, Scott A. Reid
Chemistry Faculty Research and Publications
π-Stacking interactions are ubiquitious across chemistry and biochemistry, impacting areas from organic materials and photovoltaics to biochemistry and DNA. However, experimental data is lacking regarding the strength of π-stacking forces—an issue not settled even for the simplest model system, the isolated benzene dimer. Here, we use two-color appearance potential measurements to determine the binding energies of the isolated, π-stacked dimer of fluorene (C13H10) in ground, excited, and ionic states. Our measurements provide the first precise values for π-stacking interaction energies in these states, which are key benchmarks for theory. Indeed, theoretical predictions using ab initio and …
Structural Evidence Of A Major Conformational Change Triggered By Substrate Binding In Dape Enzymes: Impact On The Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Structural Evidence Of A Major Conformational Change Triggered By Substrate Binding In Dape Enzymes: Impact On The Catalytic Mechanism, Boguslaw P. Nocek, Cory Reidl, Anna Starus, Tahirah Heath, David L. Bienvenue, Jerzy Osipiuk, Robert Jedrzejczak, Andzrej Joachimiak, Daniel P. Becker, Richard C. Holz
Chemistry Faculty Research and Publications
The X-ray crystal structure of the dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase from Haemophilus influenzae (HiDapE) bound by the products of hydrolysis, succinic acid and l,l-DAP, was determined at 1.95 Å. Surprisingly, the structure bound to the products revealed that HiDapE undergoes a significant conformational change in which the catalytic domain rotates ∼50° and shifts ∼10.1 Å (as measured at the position of the Zn atoms) relative to the dimerization domain. This heretofore unobserved closed conformation revealed significant movements within the catalytic domain compared to that of wild-type HiDapE, which results in effectively closing off access to …
Fhbc, A Hexa‐Peri‐Hexabenzocoronene–Fluorene Hybrid: A Platform For Highly Soluble, Easily Functionalizable Hbcs With An Expanded Graphitic Core, Tushar S. Navale, Maxim V. Ivanov, Mohammad M. Hossain, Rajendra Rathore
Fhbc, A Hexa‐Peri‐Hexabenzocoronene–Fluorene Hybrid: A Platform For Highly Soluble, Easily Functionalizable Hbcs With An Expanded Graphitic Core, Tushar S. Navale, Maxim V. Ivanov, Mohammad M. Hossain, Rajendra Rathore
Chemistry Faculty Research and Publications
Materials based upon hexa‐peri‐hexabenzocoronenes (HBCs) show significant promise in a variety of photovoltaic applications. There remains the need, however, for a soluble, versatile, HBC‐based platform, which can be tailored by incorporation of electroactive groups or groups that can prompt self‐assembly. The synthesis of a HBC–fluorene hybrid is presented that contains an expanded graphitic core that is highly soluble, resists aggregation, and can be readily functionalized at its vertices. This new HBC platform can be tailored to incorporate six electroactive groups at its vertices, as exemplified by a facile synthesis of a representative hexaaryl derivative of FHBC. Synthesis of …
Human P450 Cyp17a1: Control Of Substrate Preference By Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, Stephen G. Sligar
Human P450 Cyp17a1: Control Of Substrate Preference By Asparagine 202, Michael C. Gregory, Piotr J. Mak, Yogan Khatri, James R. Kincaid, Stephen G. Sligar
Chemistry Faculty Research and Publications
CYP17A1 is a key steroidogenic enzyme known to conduct several distinct chemical transformations on multiple substrates. In its hydroxylase activity, this enzyme adds a hydroxyl group at the 17α position of both pregnenolone and progesterone at approximately equal rates. However, the subsequent 17,20 carbon–carbon scission reaction displays variable substrate specificity in the numerous CYP17A1 isozymes operating in vertebrates, manifesting as different Kd and kcat values when presented with 17α-hydroxypregnenlone (OHPREG) versus 17α-hydroxyprogesterone (OHPROG). Here we show that the identity of the residue at position 202 in human CYP17A1, thought to form a hydrogen bond with the A-ring alcohol …
Several Levels Of Theory For Description Of Isotope Effects In Ozone: Symmetry Effect And Mass Effect, Alexander Teplukhin, Dmitri Babikov
Several Levels Of Theory For Description Of Isotope Effects In Ozone: Symmetry Effect And Mass Effect, Alexander Teplukhin, Dmitri Babikov
Chemistry Faculty Research and Publications
The essential components of theory for the description of isotope effects in recombination reaction that forms ozone are presented, including the introduction of three reaction pathways for symmetric and asymmetric isotopomers, a brief review of relevant experimental data for singly- and doubly substituted isotopologues, the definitions of ζ-effect and η-effect, and the introduction of isotopic enrichment δ. Two levels of theory are developed to elucidate the role of molecular symmetry, atomic masses, vibrational zero-point energies, and rotational excitations in the recombination process. The issue of symmetry is not trivial, since the important factors, such as 1/2 and 2, appear in …
Quantum Dynamics Of Isolated Molecules: General Discussion, Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary, Robert Donovan, Ingo Fischer, Francesco Gianturco, Majdi Hochlaf, Susmita Kar, Adam Kirrander, Stephen Leone, Thomas Malcomson, Uwe Manthe, Anne B. Mccoy, Jens Petersen, Jeremy Richardson, Petr Slavíček, Thierry Stoecklin, Krzysztof Szalewicz, Ad Van Der Avoird, Roland Wester, Graham Worth, Anne Zehnacker-Rentien
Quantum Dynamics Of Isolated Molecules: General Discussion, Dmitri Babikov, David Benoit, Joel Bowman, Timothy Burd, David Clary, Robert Donovan, Ingo Fischer, Francesco Gianturco, Majdi Hochlaf, Susmita Kar, Adam Kirrander, Stephen Leone, Thomas Malcomson, Uwe Manthe, Anne B. Mccoy, Jens Petersen, Jeremy Richardson, Petr Slavíček, Thierry Stoecklin, Krzysztof Szalewicz, Ad Van Der Avoird, Roland Wester, Graham Worth, Anne Zehnacker-Rentien
Chemistry Faculty Research and Publications
No abstract provided.