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Monitoring Transverse Relaxation Times Of Kerosene-Adulterated Diesel Using Low-Field Nuclear Magnetic Resonance Spectroscopy, Tristen Rumbaugh 2019 Harrisburg University of Science and Technology

Monitoring Transverse Relaxation Times Of Kerosene-Adulterated Diesel Using Low-Field Nuclear Magnetic Resonance Spectroscopy, Tristen Rumbaugh

Experiential Learning Projects

Time-domain nuclear magnetic resonance spectroscopy (TD-NMR) and low-field nuclear magnetic resonance spectroscopy (LF-NMR) are different techniques that vary in the range of magnetic field strengths that they use, which is a determining factor for the type of analysis that can be done. In this study, LF-NMR was used to perform a time-domain analysis of petroleum products, diesel and kerosene. This is a type of analysis which is typically performed using TD-NMR. Diesel and kerosene are two petroleum products that have different characteristics such as viscosity, boiling point, and hydrocarbon length. Diluting, or adulterating, diesel fuels with kerosene is a common ...


Seasonal Origins Of Soil Water Used By Trees, Scott T. Allen, James W. Kirchner, Sabine Braun, Rolf T. W. Siegwolf, Gregory R. Goldsmith 2019 ETH Zurich

Seasonal Origins Of Soil Water Used By Trees, Scott T. Allen, James W. Kirchner, Sabine Braun, Rolf T. W. Siegwolf, Gregory R. Goldsmith

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Rain recharges soil water storages and either percolates downward into aquifers and streams or is returned to the atmosphere through evapotranspiration. Although it is commonly assumed that summer rainfall recharges plant-available water during the growing season, the seasonal origins of water used by plants have not been systematically explored. We characterize the seasonal origins of waters in soils and trees by comparing their midsummer isotopic signatures (δ2H) to seasonal isotopic cycles in precipitation, using a new seasonal origin index. Across 182 Swiss forest sites, xylem water isotopic signatures show that summer rain was not the predominant water source for ...


Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, McKenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey 2019 University of Nebraska Medical Center

Urease Is An Essential Component Of The Acid Response Network Of Staphylococcus Aureus And Is Required For A Persistent Murine Kidney Infection, Chunyi Zhou, Fatema Bhinderwala, Mckenzie K. Lehman, Vinai C. Thomas, Sujata S. Chaudhari, Kelsey J. Yamada, Kirk W. Foster, Robert Powers, Tammy Kielian, Paul D. Fey

Faculty Publications -- Chemistry Department

Staphylococcus aureus causes acute and chronic infections resulting in significant morbidity. Urease, an enzyme that generates NH3 and CO2 from urea, is key to pH homeostasis in bacterial pathogens under acidic stress and nitrogen limitation. However, the function of urease in S. aureus niche colonization and nitrogen metabolism has not been extensively studied. We discovered that urease is essential for pH homeostasis and viability in urea-rich environments under weak acid stress. The regulation of urease transcription by CcpA, Agr, and CodY was identified in this study, implying a complex network that controls urease expression in response to changes ...


Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar 2019 Purdue University

Role Of Water On The Rotational Dynamics Of The Organic Methylammonium Cation: A First Principles Analysis, Ross D. Hoehn, Joseph S. Francisco, Sabre Kais, Ali Kachmar

Faculty Publications -- Chemistry Department

Understanding the degradation mechanisms of lead-halide perovskites (CH3NH3PbI3) under exposure to liquid/aerosol water is an essential problem within the photovoltaic community. Herein we investigate both the static and the dynamic properties of the methylammonuim cation (MA) as it coordinates with invading water molecules (MA.(H2O)n, n = 1, 2, 3, 4) using both stationary state quantum mechanics and first principle molecular dynamics simulations. Various solvation structures of MA were characterized by their stabilization energies, dipoles, and Maximally-Localized Wannier Function (MLWF) centers. Calculation – and analysis – of vibrational shifts in the IR spectral region ...


Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture 2019 Brown University

Highly Stable And Efficient All-Inorganic Lead-Free Perovskite Solar Cells With Native-Oxide Passivation, Min Chen, Ming-Gang Ju, Hector F. Garces, Alexander D. Carl, Luis K. Ono, Zafer Hawash, Yi Zhang, Tianyi Shen, Yabing Qi, Ronald L. Grimm, Domenico Pacifici, Xiao Cheng Zeng, Yuanyuan Zhou, Nitin P. Padture

Faculty Publications -- Chemistry Department

There has been an urgent need to eliminate toxic lead from the prevailing halide perovskite solar cells (PSCs), but the current lead-free PSCs are still plagued with the critical issues of low efficiency and poor stability. This is primarily due to their inadequate photovoltaic properties and chemical stability. Herein we demonstrate the use of the lead-free, allinorganic cesium tin-germanium triiodide (CsSn0.5Ge0.5I3) solid-solution perovskite as the light absorber in PSCs, delivering promising efficiency of up to 7.11%. More importantly, these PSCs show very high stability, with less than 10% decay in efficiency after ...


The Inductive Effect In Organic Chemistry, Charles A. Kingsbury 2019 University of Nebraska-Lincoln

The Inductive Effect In Organic Chemistry, Charles A. Kingsbury

Faculty Publications -- Chemistry Department

The subtle difference between the successive polarization model and the flow of electrons through sigma bonds is explored, as well as the alternating charge model of Pople and the pervasive field model. The present paper is concerned with the ability of alkyl groups to serve as sigma inductive electron donors.


Syntheses Of A Tin (Iv) Meso-Tetra(4-Pyridyl) Porphyrin Dichloride-Tetrachlorobis (Bipy)2 Ruthenium (Ii) Complex And Studies Of Photophysical Properties Of 1-Nitropyrene, Phillip Sharp 2018 Stephen F. Austin State University

Syntheses Of A Tin (Iv) Meso-Tetra(4-Pyridyl) Porphyrin Dichloride-Tetrachlorobis (Bipy)2 Ruthenium (Ii) Complex And Studies Of Photophysical Properties Of 1-Nitropyrene, Phillip Sharp

Electronic Theses and Dissertations

Development of a photosensitizer that can work in both aerobic and anaerobic environments would increase the robustness of the cancer treatment known as photodynamic therapy. The development of a photosensitizer was first attempted by synthesizing a tin (IV) meso-tetra (4-pyridyl) porphyrin dichloride-tetrachlorobis (Bipy)2 ruthenium (II) complex. The synthesize of the tin porphyrin was done by a method from literature and had a percent error of 31.58 and 37.31 when comparing the theoretical percentages of carbon (55.39) and nitrogen (12.92) meaning that photosensitizer was not synthesized.

The second type of chromophore that was studied was 1-nitropyrene ...


Radiolabeled Nanohydroxyapatite As A Platform For The Development Of New Pet Imaging Agents, Stacy Lee Queern 2018 Washington University in St. Louis

Radiolabeled Nanohydroxyapatite As A Platform For The Development Of New Pet Imaging Agents, Stacy Lee Queern

Arts & Sciences Electronic Theses and Dissertations

Positron emission tomography (PET) imaging utilizes drugs labeled with positron emitters to target and evaluate different biological processes occurring in the body. Tailoring medicine to the individual allows for higher quality of care with better diagnosis and treatment and is a key purpose for advancing research into developing new platforms for PET imaging agents. A PET nuclide of high interest for the development of these agents is 89Zr. This can be attributed to the long half-life of 3.27 days and low positron energy of 89Zr.

In this work, we developed a production method for 89Zr using Y sputtered coins ...


My Experience Teaching General Chemistry To A Student Who Is Visually Impaired, Katherine M E Stewart 2018 Troy University

My Experience Teaching General Chemistry To A Student Who Is Visually Impaired, Katherine M E Stewart

Journal of Science Education for Students with Disabilities

This paper summarizes my experience with teaching a first-year, General Chemistry course to a visually impaired student. This includes accommodations and modifications for both the lecture material and the laboratory. Included are also examples of formats and syntax for txt-based quizzes, tests, and laboratory reports, as well as other general accommodations for both the student and the service dog.


Blue Carbon: Methane Emissions From Managed Saline Ponds In The South Bay Salt Pond Restoration Project, San Francisco Bay, Haley J. Miller, Glenn E. Woerndle, Steve Crooks, Jason K. Keller 2018 Chapman University

Blue Carbon: Methane Emissions From Managed Saline Ponds In The South Bay Salt Pond Restoration Project, San Francisco Bay, Haley J. Miller, Glenn E. Woerndle, Steve Crooks, Jason K. Keller

Biology, Chemistry, and Environmental Sciences Faculty Data Sets

This data set reports net methane (CH4) emissions from managed saline ponds and a restored salt marsh associated with the South Bay Salt Ponds Restoration Project, San Francisco Bay, CA, USA. Associated biogeochemical and physical data are also reported. Data were collected on five sampling dates over the course of the study: November 2016, January 2017, March 2017, June 2017 and August 2017. Logistics (e.g., weather and road conditions) and nesting birds did not allow us to sample all locations during all sampling events.

Methane emissions were measured using static chambers and biogeochemical data were measured on porewater ...


‘Cassette’-Ises (In Situ Enzymatic Screening) Identifies Complementary Chiral Scaffolds For Hydrolytic Kinetic Resolution Across A Range Of Epoxides, Sangeeta Dey, Douglas R. Powell, Chunhua Hu, David B. Berkowitz 2018 University of Nebraska - Lincoln

‘Cassette’-Ises (In Situ Enzymatic Screening) Identifies Complementary Chiral Scaffolds For Hydrolytic Kinetic Resolution Across A Range Of Epoxides, Sangeeta Dey, Douglas R. Powell, Chunhua Hu, David B. Berkowitz

Faculty Publications -- Chemistry Department

‘Cassette’-ISES (In Situ Enzymatic Screening) Identifies Complementary Chiral Scaffolds for Hydrolytic Kinetic Resolution Across a Range of Epoxides

A new ‘Cassette’-In Situ Enzymatic Screen (ISES) for combinatorial catalysis is introduced. This allows the experimentalist to obtain an information-rich readout, in real time, providing an estimate of the sense and magnitude of enantioselectivity across more than one substrate. In its first iteration, the screen identified CoIII-salen catalysts with β-pinene- and α-naphthylalanine-derived chiral scaffolds with broad, yet complementary, substrate specificities.


Forensic Toxicological Screening And Confirmation Of 800+ Novel Psychoactive Substances By Lc-Qtof-Ms And 2d-Lc Analysis, Melanie N. Eckberg 2018 Florida International University

Forensic Toxicological Screening And Confirmation Of 800+ Novel Psychoactive Substances By Lc-Qtof-Ms And 2d-Lc Analysis, Melanie N. Eckberg

FIU Electronic Theses and Dissertations

Novel psychoactive substances (NPS) represent a great challenge to toxicologists due to the ability of illicit drug manufacturers to alter NPS chemical structures quickly and with ease to circumvent legislation regulating their use. Each time a new structure is introduced, there is a possibility that it has not been previously recorded in law enforcement or scientific databases. Many toxicology laboratories use targeted analytical methods that rely on libraries of known compounds to identify drugs in samples. However, these libraries do not include large numbers of NPS which could result in non-identification or detection.

High-resolution mass spectrometry (HRMS) has been suggested ...


Spin Alignment Generated In Inelastic Nuclear Reactions, Daniel Hoff 2018 Washington University in St. Louis

Spin Alignment Generated In Inelastic Nuclear Reactions, Daniel Hoff

Arts & Sciences Electronic Theses and Dissertations

The spin alignment of inelastically excited 7Li projectiles, when the target remains in its ground state, was determined through angular-correlation measurements between the breakup fragments of 7Li_ (_ + t). It was found that 7Li_ is largely aligned along the beam axis (longitudinal) in this type of inelastic reaction, regardless of the target. This longitudinal alignment is well described by DWBA calculations, which can be explained by an angular-momentum-excitation-energy mismatch condition. These calculations also explain the longitudinal spin alignment of excited nuclei in several other systems, showing the phenomenon is more general. The experiment involving 7Li was performed at the Texas ...


Learning Chemistry In English: Challenges Faced By Non-Native English Speakers, Arwa A. Alshehri 2018 Missouri State University

Learning Chemistry In English: Challenges Faced By Non-Native English Speakers, Arwa A. Alshehri

MSU Graduate Theses

Every year many international students come to study in the United States. In addition to all the challenges associated with coming to a new country, non-native English speakers (NNES) face the additional challenge of having to learn their content in English. Therefore, in this project, I recruited NNES participants from general chemistry courses since preliminary inquiries indicated that they have the largest enrollments. Because there were relatively few students at MSU who are non-native English speakers studying chemistry, I used a case study design to be able to extract generalizations from an in-depth study of a few individuals. The aim ...


Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong 2018 National Junior College

Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong

The International Student Science Fair 2018

Lithium ion batteries (LIBs) are commonly found in many portable electronic appliances due to their ability to be rechargeable. Currently, commercial anodes in Li-ion batteries (graphite) have a theoretical capacity of around 372 mAh/g, while FeCo2O4 that will be investigated as the anode material has a theoretical capacity of 901.985mAh/g, more than double of the current commercial anode’s capacity. Earlier work done by Sharma et al also showed that FeCo2O4 has a very promising initial capacity of 827mAh/g. As such, the engineering goal is to produce a battery that will have a higher capacity than ...


Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong 2018 National Junior College

Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong

The International Student Science Fair 2018

Lithium ion batteries (LIBs) are commonly found in many portable electronic appliances due to their ability to be rechargeable. Currently, commercial anodes in Li-ion batteries (graphite) have a theoretical capacity of around 372 mAh/g, while FeCo2O4 that will be investigated as the anode material has a theoretical capacity of 901.985mAh/g, more than double of the current commercial anode’s capacity. Earlier work done by Sharma et al also showed that FeCo2O4 has a very promising initial capacity of 827mAh/g. As such, the engineering goal is to produce a battery that will have a higher capacity than ...


Desalination Concentrate Disposal: Ecological Effects And Sustainable Solutions, Ryan Hanley 2018 University of Washington – Tacoma

Desalination Concentrate Disposal: Ecological Effects And Sustainable Solutions, Ryan Hanley

Global Honors Theses

Freshwater availability is a growing global concern, and desalination is often presented as the solution, but from this important technology comes issues of toxic waste. Ecosystems are delicate areas that contain species adapted to that specific location, and any chemical or physical changes can disrupt the fitness of species. The concentrate byproduct waste from desalination plants is toxic to species if the concentrate is not compatible with the receiving water body. A critical review of scientific articles, industry-leading books, conversations with industry experts, and information from the American Membrane Technology Association conference was used to analyze the current knowledge. Species ...


Analysis Of Metallic Components Of Gsr From Various Types Of Ammunition And Firearms Utilizing An Sem-Edx, Jenna A. Campbell 2018 Duquesne University

Analysis Of Metallic Components Of Gsr From Various Types Of Ammunition And Firearms Utilizing An Sem-Edx, Jenna A. Campbell

Graduate Student Research Symposium

Gunshot residue (GSR) is a chemical reaction that occurs when a firearm is discharged, which emits a cloud of gases from the barrel of the gun. It consists of both the burned and unburned propellant and primer components. These components are either organic or inorganic in nature, respectively. The organic components are located in the gunpowder part of the bullet, while the inorganic components are located in the primer part of the bullet. The primer consists of lead, barium, and antimony. These elements are considered heavy metals. Additionally, lead, barium, and antimony are the three key elements found in the ...


Extraction And Purification Of (E)-Resveratrol From The Bark Of Maine's Native Spruces, Panduka S. Piyaratne 2018 University of Maine

Extraction And Purification Of (E)-Resveratrol From The Bark Of Maine's Native Spruces, Panduka S. Piyaratne

Electronic Theses and Dissertations

Resveratrol is a plant secondary metabolite which protects plants from pathogenic invasions and acts as a remedial agent against injury, stress, and tissue damage by UV radiation. With its characteristic stilbene structure, resveratrol adopts (E) and (Z) isomeric forms. However, the (E) isomer is the most biologically active and abundant form of resveratrol in nature.

(E)- Resveratrol confers a variety of benefits to human health and well-being. Besides its antioxidant activity, the role of (E)-resveratrol as an anti-inflammatory, anti-aging, cardioprotection, and anticancer agent has been a widely explored research interest. Many plant species including mulberry, peanut, and grape are ...


Fast Identification Of Components Commonly Used In Homemade Explosives By Spectroscopic And Chemometric Methods, Deidre Day Vandenbos, Huggins Msimanga, Christopher Dockery 2018 Kennesaw State University

Fast Identification Of Components Commonly Used In Homemade Explosives By Spectroscopic And Chemometric Methods, Deidre Day Vandenbos, Huggins Msimanga, Christopher Dockery

Master of Science in Chemical Sciences Theses

Homemade explosives (HMEs) have become a global pandemic. This forensic research focuses on developing identification methods that can provide quick, cost effective, non-destructive analysis using portable instrumentation. These capabilities would be invaluable to first responders, military, and security officials to establish an evidentiary link between a suspect and a reference in cases of HMEs, IEDs, arson and environmental contamination.

Modern methods for quick identification of the fuels and oxidant sources used in manufacturing HMEs, include Fourier Transform Infrared (FT-IR) and Raman spectroscopy. Visual confirmation alone, however, is not strong enough to discriminate chemicals with nearly identical spectra, which occurs when ...


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