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USING GAMESS TO DETERMINE TRANSITION MOMENTS**
No full textThe installation and use of GAMESS (General Atomic and Molecular Electronic Structure System) a general ab initio quantum computational program is discussed. GAMESS is a free computational package that is used to evaluate the transition dipole moments of several conjugated organic compounds, including 1,4-diphenyl-1,3-butadiene and 1,6-diphenyl-1,3,5-hexatriene . The computational results are compared to results from linear dichroism analysis and to literature values where available
DIGITAL TEXTBOOK FOR SURVEY OF CHEMISTRY I**
No full textModern age students need knowledge in a different format, in terms of imagination, visualization, practice, mastery and preferably on mobile electronic devices. A big obstacle for student success in higher education is high tuition cost as well as skyrocketing textbook price. The objective of this project is to prepare an open source free educational resource (OER) for the non-science major students who are taking college level Survey of Chemistry I Course. The goal is to prepare a supplementary course material with all needed benefits of the regular textbook to assist students in reading and understanding the material to succeed in this course. The ebook includes several simulation based learning activities tied to interactive questions and quizzes, videos. High level of visual content of the concept is emphasized in concept building. All the visual images and simulations used are taken from free available OERs. PHET simulation, Molecular Workbench, Chemistry Solutions, Merlot, Chem Collective etc. are some of simulation and video sites used in this ebook. This project has been funded by Affordable Learning Georgia, Textbook Transformation Grant, round 12. Content development of the ebook was completed by Spring 2019 and implemented in classroom in Fall 2019. Total five different sections across the campus used the ebook and positive students feedback were obtained. A separate website was created for teaching using the ebook https://chemistrylearningbydoing.org. Students registered on the website and enrolled in particular instructor’s batch. More than 150 students used the website as textbook. Students overall performance was recorded and compared with previous term. Students quiz and test performance increased by more than 14% and 21% for some classes. Comparison of final exam grade is yet to be determined at this moment. This ebook will be available for free for public use under Georgia Public Library System
CHARACTERIZATION OF THE PITX1 GENE OF GOODEID FISHES**
No full textHomoplastic, regulatory defects in the nuclear PitX1 gene have been implicated in pelvic-appendage loss in manatees (Mammalia) and stickleback fishes (Teleostei), and affect this complex, multi-organ structure in yet other vertebrates. Here we continue investigating the mechanism of pelvic-fin loss in an independent vertebrate group by generating PitX1 DNA sequences for representative goodeid fishes of the sister-clades Empetrichthyinae, which lack pelvic fins, and Goodeinae, which have these fins. To this end, bioinformatics approaches are being used to generate primers for PCR in and around this four-exon gene using the publicly available genomic scaffold of Fundulus heteroclitus (Fundulidae). PitX1 comprises more than 12 kb in this taxon, and the pel regulatory region, based on homology assessment with Oryzias latipes (Adrianichthyidae), is about 95 kb upstream of exon 1. Standard molecular protocols are being used to generate DNA sequences however, as amplicons will be of large size relative to what can generally be Sanger sequenced, and as we have previously discovered evidence of length variation within introns, molecular cloning using competent E. coli will be used to improve sequence reads. Sequences will be verified as PitX1 via alignment to teleost orthologs that are publicly available. We will here note that early attempts at primer design were frustrated by the fact that exon 1 of the Fundulus reference sequence was found to have been misidentified in the reference assembly. We hope to take the first steps in understanding the molecular mechanisms that explain a novel, vertebrate loss of a complex anatomical feature
APPLICATION OF INTELLIGENT WEB SEARCH TO BUILD CAMPUS MAPS
No full textThe proposed research is building an application to provide visitors with details maps of universities and the adjacent properties allowing individuals to access maps of different universities without download navigation maps for every university. Automatic Campus App Generator connects the visitors and universities using cloud computing technology. The cloud computing technology enables all cartographic elements of the university and the adjacent properties to be uploaded effectively using the Admin dashboard. When the “update” button on the Admin dashboard is clicked, the application collects all the cartographic elements of the university, such as dining halls, departments, parking, and libraries from the intelligent Google Search and Google Map API. The collected data is then automatically uploaded on the database and eventually displayed. Python and Django web framework forms the backbone of the server in the Automatic Campus App Generator application. The application uses SQLite for its database while the client comprises a combination of CSS, HTML, and JavaScript aided by Bootstrap. The Intelligent Web Search component of this application uses public cloud computing services of Google Search (API), BeautifulSoup, and Google Maps (API) to generate the best results. Our study has so far been able to retrieve 57 percent of cartographic information for five different universities using the automated intelligent web search strategy
APPLICATION OF METAMATERIAL IN BLOCKING HARMFUL RADIATION FROM 5G ANTENNAS
No full textPropagation of a plain electromagnetic wave can be explained by distributed transmission line theory or parallel plate waveguide theory. Whether it is transmission line or parallel plate waveguide, introduction of a shunt impedance containing L-C series circuit, should exhibit a “Band Stop” frequency response with a center frequency as determined by the resonance condition of the L-C series circuit. In this research, a 3D electromagnetic simulation is conducted with ANSYS HFSS commercial software to model a medium containing short and thin metal strips arranged in 3D periodic fashion to realize L-C series circuits evenly distributed throughout the medium. Simulation result demonstrates a “Band Stop” behavior of the composite material as predicted and shifting of “Band Stop” response to 5G radiation range is accomplished by varying the length of the metal strip. Finally, “Band Stop” behavior and it’s shifting with respect to frequency are explained using transmission line theory
Construction and application of a cost-effective portable LIBS system in in-situ chemical analysis **
No full textLaser Induced Breakdown Spectroscopy (LIBS) is a chemical analysis technique using a laser. The advantages of LIBS include extremely fast measurement, broad elemental coverage, its applicability in many spheres and phases, e.g., gas, aqueous, and solid phases in a minimally destructive manner. This research aims to develop a cost-effective portable LIBS that can be mounted on a robot arm or in-situ for rapid but accurate chemical analyses. First, an LIBS system consisting of Nd:Yag 1064nm pulsed laser, a UV-IR spectrometer, and a computer for chemical composition analyses, is being constructed. The high intensity laser pulse (5 ~ 20nsec) interacting with a sample (liquid, solid, or gas) produces a plasma plume (over 100,000 K), and the photons from excited electrons are detected by a spectrometer and analyzed by a computer system. The LIBS system is utilized in the following two applications. The advantages of LIBS can be utilized in integrity monitoring of water filtration membranes by analyzing the quality of purified water and detecting any spike of contaminants real-time. A lab-scale membrane filtration system has been constructed to test the correlation between the detected contaminant levels and the cleaning cycle of membranes (backwashing and chemical cleaning). This will benefit the industry and research sector in optimizing membrane filtration processes. Another application of LIBS is to detect heavy metals in food. There are toxic elements present in tea leaves that may cause adverse health effect, e.g., chromium, bromine, cadmium, and manganese, and the intensities of emission spectra for pelletized tea grains from each brand, at different wavelengths, will be obtained to quantitatively determine the amount of each element in samples. Results will be validated by inductively coupled plasma mass spectroscopy. The result would provide insights on daily consumption limit of tea in order to avoid too much intake of toxic elements
DOUBLE AND TRIPLE BOUNCES OF SOCCER PENALTY KICKS
No full textThe trajectories of soccer ball penalty kicks that strike one of the goalposts while rolling along the surface are simulated and analyzed using conservation of linear and angular momenta. The reflected trajectories upon collisions with the goalpost are calculated and used to determine whether double or triple bounces take place. The analysis is iterated for a range of initial launch speeds, angular velocities, and normal and tangential coefficients of restitution of the goalpost-ball collisions. It is observed that double bounces can take place for almost any combination of the above parameters if the soccer ball strikes the appropriate narrow sectors of the first goalpost. The corresponding parameter ranges and impact areas are considerably more restricted for generating triple bounces. The angular velocity and coefficients of restitution are found to significantly influence the occurrence of multiple bounces
The Rotational Spectrum and Molecular Structure of bis-(trifluoromethyl) peroxide, CF3OOCF3 **
No full textThe pure rotational spectra of bis-(trifluoromethyl) peroxide, CF3OOCF3, were measured between 5 GHz and 20 GHz. In addition, 25 spectral lines of 13C isotopologue were observed in natural abundance. All transitions were assigned and fit by Watson’s A-reduction Hamiltonian using Pickett’s program package, SPCAT/SPFIT. The rotational and the centrifugal distortion constants fitted from main isotopologue (152 transitions) are: A0 = 2806.6567(2) MHz, B0 = 795.3253(2) MHz, C0 = 790.3212(2) MHz, ΔJ = 68.0(3) Hz, ΔJK = 179(1) Hz, and δJ = -0.44(9) Hz. For the 13C isotopologue, spectroscopic constants were fitted to: A0 = 2806.8188(8) MHz, B0 = 792.0957(53) MHz, C0 = 787.1292(50) MHz, ΔJ = 69.8(55) Hz, and ΔJK = 194(25) Hz with the observed 29 transitions. However, those data are still not enough to fully determine the molecular structure. The ab initio and the density functional theory (DFT) calculations were performed to scan the potential energy surface (PES) and optimize the molecular geometry. With a few fixed structural parameters from calculations, a theoretical-experimental combined structure of CF3OOCF3 was determined in present work
Characteristics of Alfvén waves with nonzero k⊥ values
No full textTurbulent interactions between Alfvén waves are a common occurrence in astrophysical plasma environments. Many experiments have been conducted to understand these interactions. In this paper, we describe an experiment for the collision of two counterpropagating Alfvén waves. The magnetic and electric field data from the collision is used to determine the energy density and the energy flux density (or Poynting vector) for the waves. Additionally, we discuss some interesting results from a measurement of the Alfvén speed when at least one of the Alfvén waves in the experiment has multiple, nonzero k⊥ values
Ranking Volatility in Building Energy Consumption Using Ensemble Learning and Information Entropy
Get PDFGiven the rise in building energy consumption and demand worldwide, energy inefficiency detection has become extremely important. A significant portion of the energy used in commercial buildings is wasted as a result of poor maintenance, degradation or improperly controlled equipment. Most facilities employ sensors to track energy consumption across multiple buildings. Smart fault detection and diagnostic systems use various anomaly detection techniques to discover point anomalies in consumption. While these systems work reasonably well in detecting equipment anomalies over short-term intervals, further exploration is needed in finding methods that consider long-term consumption to detect anomalous buildings. This paper presents a novel approach for a multi-building campus to rank and visualize the long-term volatility of building consumption. This allows for the optimal allocation of limited time and resources for the detection and resolution of energy waste. The proposed method first classifies daily consumption into 5 classes using an ensemble learner and then calculates the information entropy on the resulting classification set to determine volatility. The ensemble learner receives input from a K-Nearest Neighbor classifier, a Random Forest classifier and an Artificial Neural Network. In general, buildings are expected to keep the same energy profile over time, all else being equal. Buildings that frequently change energy profiles are ranked and flagged by the system for review, which would call for the next step to reduce waste and costs and to increase the sustainability of buildings. Data on energy consumption for 132 buildings is obtained from energy management at the Georgia Institute of Technology. Experimental results show the effectiveness of the proposed approach