Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- TÜBİTAK (2720)
- Chinese Chemical Society | Xiamen University (2389)
- Missouri University of Science and Technology (1552)
- Marquette University (1105)
- University of Nebraska - Lincoln (962)
-
- University of South Carolina (760)
- Brigham Young University (740)
- Chulalongkorn University (670)
- Old Dominion University (664)
- Louisiana State University (618)
- University of Kentucky (595)
- University of Nevada, Las Vegas (589)
- Portland State University (517)
- Utah State University (465)
- City University of New York (CUNY) (459)
- University of Arkansas, Fayetteville (436)
- University of Denver (409)
- Western Kentucky University (408)
- University of Texas Rio Grande Valley (402)
- Cleveland State University (397)
- The University of Southern Mississippi (379)
- Western Michigan University (366)
- Virginia Commonwealth University (358)
- Technological University Dublin (335)
- University of South Florida (335)
- University of Central Florida (325)
- Chapman University (294)
- Loyola University Chicago (288)
- University of Mississippi (285)
- University of New Mexico (285)
- Keyword
-
- Chemistry (1001)
- Synthesis (354)
- Nanoparticles (315)
- Pure sciences (277)
- Electrochemistry (265)
-
- Chemistry and Biochemistry (264)
- Department of Chemistry (249)
- Mass spectrometry (234)
- Catalysis (224)
- Atmospheric chemistry (208)
- Fluorescence (195)
- Adsorption (184)
- Spectroscopy (175)
- Emissions (171)
- 1 (165)
- Pollutants (163)
- NMR (150)
- Cyclic voltammetry (147)
- Kinetics (146)
- Oxidation (146)
- Cancer (145)
- Polymers (143)
- Copper (137)
- 2 (132)
- Organic chemistry (128)
- Electrocatalysis (126)
- Molecular dynamics (121)
- DFT (120)
- Crystal structure (115)
- Iron (114)
- Publication Year
- Publication
-
- Turkish Journal of Chemistry (2720)
- Journal of Electrochemistry (2389)
- Theses and Dissertations (1398)
- Chemistry Faculty Publications (1129)
- Chemistry Faculty Research & Creative Works (938)
-
- Electronic Theses and Dissertations (777)
- Chemistry Faculty Research and Publications (690)
- Chulalongkorn University Theses and Dissertations (Chula ETD) (670)
- Faculty Publications (592)
- Masters Theses (565)
- Dissertations (539)
- Honors Theses (474)
- LSU Doctoral Dissertations (448)
- Chemistry and Biochemistry Faculty Publications (384)
- Chemistry Publications (340)
- Chemistry & Biochemistry Faculty Publications (339)
- Masters Theses & Specialist Projects (306)
- USF Tampa Graduate Theses and Dissertations (297)
- Chemistry Faculty Publications and Presentations (295)
- Department of Chemistry: Faculty Publications (294)
- Bachelors’ Theses (274)
- Karbala International Journal of Modern Science (268)
- Master's Theses (267)
- Chemistry and Chemical Biology ETDs (259)
- Journal of Undergraduate Research (254)
- Dissertations and Theses (245)
- School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry) (245)
- Articles (241)
- Wayne State University Dissertations (236)
- Legacy Theses & Dissertations (2009 - 2024) (218)
- Publication Type
Articles 481 - 510 of 33105
Full-Text Articles in Physical Sciences and Mathematics
Optimized Co2 Gas Sensing With Sns:Sm2o3/N-Si Nanocomposites Fabricated Via Spray Pyrolysis, Wasan A. Khalaf, Mays A. Hammadi, Mohammed J. Alsultani, Yahya R. Hathal, Mohammed O. Salman
Optimized Co2 Gas Sensing With Sns:Sm2o3/N-Si Nanocomposites Fabricated Via Spray Pyrolysis, Wasan A. Khalaf, Mays A. Hammadi, Mohammed J. Alsultani, Yahya R. Hathal, Mohammed O. Salman
Karbala International Journal of Modern Science
In this work, tin sulfide:samarium oxide (SnS:Sm2O3) composite films were deposited using a spray pyrolysis technique for room-temperature CO2 gas sensing. X-ray diffraction (XRD) confirmed a polycrystalline SnS nature of orthorhombic-phase crystallinity at 10 at.% Sm ions, while 20 at.% Sm induced Sm2O3 as a separate phase. Field emission-scanning electron microscopy (FE-SEM) induced uniform grains and increased the surface roughness, enhancing gas adsorption. UV-visible absorbance revealed band-gap narrowing. Fourier transform infrared spectroscopy (FTIR) analysis revealed vibrational band shifts, confirming the structural modifications. Gas-sensing measurements demonstrated 5.72%, 19.65%, and 9.65% for pure SnS, …
Haze Processing Of Atmospheric Particles During Wintertime In The Indo-Gangetic Plains, Susan Mathai, Amna Ijaz, Tania Gautam, Zezhen Cheng, Nurun Nahar Lata, Harsh Bhotika, David Tseng, Rosalie K. Chu, Lynn Mazzoleni, Claudio Mazzoleni, Swarup China
Haze Processing Of Atmospheric Particles During Wintertime In The Indo-Gangetic Plains, Susan Mathai, Amna Ijaz, Tania Gautam, Zezhen Cheng, Nurun Nahar Lata, Harsh Bhotika, David Tseng, Rosalie K. Chu, Lynn Mazzoleni, Claudio Mazzoleni, Swarup China
Michigan Tech Publications
The impacts of haze on visibility, air quality, and climate are not well quantified due to a lack of understanding of the evolution of the mixing state and phase state of atmospheric particles during haze processing. The variability of the mixing state of atmospheric particles contributes significantly to uncertainties associated with the estimated aerosol radiative forcing. We collected particle samples in January 2018 from the highly polluted Indo-Gangetic plain during hazy conditions to study haze-processed particles. Single particle analysis using multi-modal micro-spectroscopy techniques revealed an abundance (40–70% by number) of potassium-rich sulfate particles from biomass-burning influenced smoke. Tilted view imaging …
Enhanced Superconductivity And Vortex Dynamics In Quasi-1d Tas2 Nanowires, Mathew Pollard, Visakha Ho, Clarissa Wisner, Eric W. Bohannan, Yew San Hor
Enhanced Superconductivity And Vortex Dynamics In Quasi-1d Tas2 Nanowires, Mathew Pollard, Visakha Ho, Clarissa Wisner, Eric W. Bohannan, Yew San Hor
Chemistry Faculty Research & Creative Works
We report the synthesis of high-quality 2H-TaS2 nanowires via a controlled two-step conversion process from TaS3 precursors, achieving robust superconductivity with a transition temperature T c ≈ 3.6K, which is significantly higher than bulk 2H-TaS2 (T c ≈ 0.8K). Structural and compositional analyses confirm phase purity and preserved one-dimensional morphology, while magneto transport measurements reveal an enhanced upper critical field μ 0 H c2 (2K)≈5 T, far exceeding the bulk value (μ0Hc2 (0)≈1.17T), attributed to dimensional confinement and suppression of charge-density wave order. Magnetic characterization demonstrates complex vortex dynamics, including flux jumps and a …
Structural Characterization Of Peptide Nanoaggregates At Varying Concentrations And Their Impact On Cellular Responses, Malika Rozmetova
Structural Characterization Of Peptide Nanoaggregates At Varying Concentrations And Their Impact On Cellular Responses, Malika Rozmetova
Theses and Dissertations
Peptide nano-assemblies can regulate cellular pathways in a structure-dependent manner. Here, we show that the enzyme-responsive peptide NapFFK(NBD)Yp forms distinct nanoscale assemblies at different concentrations, triggering differential ER stress and extracellular vesicle release in MDA-MB231 cells. These results highlight the importance of supramolecular organization in peptide–cell interactions.
Flux Crystal Growth Of Potassium Lanthanide Double Vanadates With Lanthanide-Dependent Coordination Number Variance, Hunter B. Tisdale, Hans Conrad Zur Loye
Flux Crystal Growth Of Potassium Lanthanide Double Vanadates With Lanthanide-Dependent Coordination Number Variance, Hunter B. Tisdale, Hans Conrad Zur Loye
Faculty Publications
A series of potassium rare earth double vanadates is presented. Single crystals of double vanadates with stoichiometry K3Ln(VO4)2 (Ln = La, Pr, Nd, and Sm) and crystallizing in the glaserite structure type were synthesized via a molten alkali chloride/fluoride flux reaction. Different structures were observed depending on the constituent rare earth: K3La(VO4)2 crystallizes in an as-of-yet unreported modification of the typical glaserite structure in the space group P21/c, likely due to its larger ionic size that results in an increase in the lanthanide coordination number …
Parameter-Free Determination Of Au Nanorod Dimensions Using Depolarized Dls And Genetic Optimization, Nehal Nupnar, Geofrey Nyabere, Claire M.B. Bolding, Kiril A. Streletzky, Michael J.A. Hore
Parameter-Free Determination Of Au Nanorod Dimensions Using Depolarized Dls And Genetic Optimization, Nehal Nupnar, Geofrey Nyabere, Claire M.B. Bolding, Kiril A. Streletzky, Michael J.A. Hore
Physics Faculty Publications
Gold nanorods (AuNRs) have received considerable attention for their distinctive optical properties and well-defined, low-polydispersity dimensions. These characteristics position them as promising candidates for diverse applications in imaging, sensing, and treating diseases. However, accurate characterization of AuNRs in their native solution state, which is crucial to many applications, presents many challenges─especially if AuNRs are coated with surface layers (e.g., surfactants or grafted polymers). When applied to AuNRs with functionalized surfaces, common techniques such as transmission electron microscopy (TEM), small-angle scattering, and dynamic light scattering (DLS) can present limitations such as small sample sizes, the inability to detect light elements, a …
Probing Feni Alloys With Atomic Precision, Scipio Han, Kaushik Rajkumar Jayaprabha, Xin Qi
Probing Feni Alloys With Atomic Precision, Scipio Han, Kaushik Rajkumar Jayaprabha, Xin Qi
Wetterhahn Science Symposium Posters
We compared EAM and MEAM atomic potentials for modeling FeNi (tetrataenite), a rare 50/50 alloy found in meteorites. Picking 4 potentials, we calculated minimum lattice constants and order-disorder transition temperatures. MEAM potentials accurately predicted the experimental transition temperature, confirming that MEAM better captures FeNi's directional bonding.
Effect Of Ionic Strength On Gelation Time And Strength Of Amps-Based Polymer Gels, Maryam Sharifi Paroushi, Xuyang Tian, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Effect Of Ionic Strength On Gelation Time And Strength Of Amps-Based Polymer Gels, Maryam Sharifi Paroushi, Xuyang Tian, Baojun Bai, Thomas P. Schuman, Yin Zhang, Mingzhen Wei
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
Polymer gel treatment has been widely applied for improving sweep efficiency and controlling excessive water and gas production. Their performance depends on gelation time and final gel strength. In most studies, brine salinity is used to describe the effect of formation water on gel behavior. However, changing salinity also changes ionic strength and ion composition at the same time. Because of this coupling, it is difficult to identify the mechanisms controlling gelation, which has led to inconsistent trends in the literature. Increasing salinity has been reported to either slow or accelerate gelation and to weaken or strengthen gels depending on …
Application Of Organic Geochemistry To The Characterization Of Hydrochar And Biochar: Insights Into Composition And Optimization, Michael A. Kruge, Teresa A. Centeno, Alvaro Amado-Fierro, José Manuel González-Lafuente, Rubén Forján, José Luis Gallego
Application Of Organic Geochemistry To The Characterization Of Hydrochar And Biochar: Insights Into Composition And Optimization, Michael A. Kruge, Teresa A. Centeno, Alvaro Amado-Fierro, José Manuel González-Lafuente, Rubén Forján, José Luis Gallego
Department of Earth and Environmental Studies Faculty Scholarship and Creative Works
Hydrothermal carbonization has garnered significant attention in recent studies due to potential applications of the hydrochar produced, which overlap with those of torrefied biochar, including soil improvement, carbon sequestration, and energy production. However, unlike the relatively uniform properties of biochar, hydrochar characteristics can vary greatly depending on the feedstock used. Advanced characterization techniques are essential to better understand these materials and enhance their practical applications. Research on hydrochar requires a multi-faceted approach, including molecular-level studies, to optimize production processes and identify specific applications.
In this regard, analytical methods commonly used in organic geochemistry could play a crucial role in deepening …
Monomeric And Dimeric Metal Complexes Of A New Tridentate Azole-Isoindoline-Urea Ligand, Ben Hudak
Monomeric And Dimeric Metal Complexes Of A New Tridentate Azole-Isoindoline-Urea Ligand, Ben Hudak
Williams Honors College, Honors Research Projects
1,3-Diiminoisoindoline (DII) compounds have been found to be novel materials for both metal binding and chromophore applications. In this work, I am investigating the next synthetic step in developing pyrazole- and indazole-DII compounds. These compounds stem from the reaction of the unsubstituted imine of the pyrazole- or indazole-DII adduct with an isocyanate. These DII compounds, DII-pyrazolePhNCO, DII-pyrazolenapthylNCO, DII-indazolePhNCO, DII-indazolenapthylNCO, DII-pyrazoleptolylNCO, and DII-indazoleptolylNCO were prepared using ethanol as the solvent and heat. Metal acetates were then reacted with the ligands using DMF and heat. The acetate salts included copper (II) and nickel(II). Some distinctive hydrogen bonding interactions were observed in the …
Development And Validation Of An Analytical Method For Quantitative Determination Of Small Aldehydes In Plasma, Stephanie T. Clark
Development And Validation Of An Analytical Method For Quantitative Determination Of Small Aldehydes In Plasma, Stephanie T. Clark
Chemistry & Biochemistry Theses - Archive
Small aldehydes such as formaldehyde and acetaldehyde are highly reactive metabolites that play important roles in biological processes related to oxidative stress, metabolism, and DNA damage. Because of their chemical reactivity, volatility, and low endogenous concentrations, accurate measurement of these compounds in biological samples remains analytically challenging. The goal was to develop and evaluate a practical analytical method for detecting small aldehydes in biologically relevant matrices using headspace gas chromatography mass spectrometry (HS-GC-MS). The method combined chemical derivatization with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and headspace sampling to stabilize aldehydes and enable selective detection by mass spectrometry. Method development focused on optimizing derivatization …
Microwave Synthesis And Characterization Of Fe2ptge Nanoparticles, Ally T. Fennell, David Carnevale
Microwave Synthesis And Characterization Of Fe2ptge Nanoparticles, Ally T. Fennell, David Carnevale
Chemistry Theses
Magnetic, semiconductor, and spintronic materials are vital to the functionality of devices from household appliances and sensors to medical and computing systems. This study discusses a novel synthesis and characterization of nanoscale Fe₂PtGe nanoparticles. The material was synthesized using microwave irradiation (175oC, 5 minutes) and characterized using XRD, XRF, TEM, and VSM. XRD of the synthesized particles correlates to a cubic crystal structured, indicating a face-centered cubic (fcc) platinum structure with iron and germanium incorporated in a disordered manner. XRF confirms the presence and relative ratios of iron, platinum, and germanium species. TEM imagery shows spherical nanoparticles with an average …
Characterization Of Heusler Alloys: Co2nisn, Ni2cosn, And Conisn At The Nano And Bulk Level, Paige E. Klos, David Carnevale
Characterization Of Heusler Alloys: Co2nisn, Ni2cosn, And Conisn At The Nano And Bulk Level, Paige E. Klos, David Carnevale
Chemistry Theses
This project centered around the synthesis and modification of three materials in the Heusler alloy family CoxNiySn. These compounds consist of the two full Heuslers, Co2NiSn (10.7 nm) and Ni2CoSn (17.4), as well as the half-Heusler counterpart, CoNiSn (14.9 nm). This work also studies the growth of the nanoscale Heusler alloys to the bulk material through annealing at 600°C, which lead to increased crystallinity of Ni2CoSn but phase segregation of the Co2NiSn and CoNiSn. The initial nanoparticles were synthesized utilizing a CEM microwave with temperatures of 175/200°C. Samples were analyzed by X-Ray diffraction (XRD) for their crystallinity, which showed a …
Advancing Lipidomics Through Fluoroalcohol-Induced Multiphase Fractionation And Orthogonal Lc×Lc–Ms Detection, Md Al Amin
Chemistry & Biochemistry Dissertations
Comprehensive characterization of the lipidome remains a significant analytical challenge due to the immense structural diversity, wide dynamic range, and complex physicochemical continuum of lipid species. Conventional extraction methods, such as those by Bligh–Dyer and Folch, and one-dimensional liquid chromatography (1D-LC) often fail to resolve this complexity, leading to chromatographic overlap, severe ion suppression, and limited coverage of low-abundance or highly hydrophobic species. This dissertation addresses these bottlenecks by establishing a separation-driven analytical framework that integrates novel fluoroalcohol-induced multiphase systems (FAiTPS) with orthogonal multidimensional liquid chromatography–mass spectrometry (LC×LC–MS).
The core of this research is the development and physicochemical characterization of …
Reversible Fluorescence Quenching And Recovery In Pvp-Supported Copper Nanoparticles, Sara Rayan
Reversible Fluorescence Quenching And Recovery In Pvp-Supported Copper Nanoparticles, Sara Rayan
Senior Honors Theses and Projects
Copper nanoclusters stabilized by polyvinylpyrrolidone (PVP) exhibit unique fluorescence properties that are highly sensitive to changes in their chemical environment, making them promising candidates for sensing applications. This study investigates the reversible fluorescence quenching and recovery behavior of PVP-supported copper nanoparticles in response to iron(III) ions and evaluates the selectivity of this response across different chemical conditions. Fluorescence quenching was examined using Fe³⁺ introduced as FeCl₃, followed by recovery experiments using ascorbic acid to assess reversibility through redox-driven interactions. To determine whether the observed response is specific to iron, potassium ferricyanide was used as an alternative Fe³⁺ source. Additional comparisons …
Investigating The Effects Of Atg3 On Autophagosome Size And Number, Keeran R. Senthil Kumar
Investigating The Effects Of Atg3 On Autophagosome Size And Number, Keeran R. Senthil Kumar
Senior Honors Theses and Projects
Macroautophagy, or autophagy, is a highly conserved catabolic process in all eukaryotes which allows for the degradation of large cytosolic contents. It occurs in two forms: bulk autophagy, which is induced by nutrient deprivation and targets nonspecific cargo, and selective autophagy, which is induced by cellular stress and sequesters specific substrates. The process of autophagosome formation is carried out by a group of Atg (autophagy-related) proteins, one of which is Atg3. Atg3 functions as an E2-like enzyme by conjugating Atg8 — a ubiquitin-like protein — to phosphatidylethanolamine (PE), a step required for autophagosome membrane formation. This lipidation process is catalyzed …
Efficient Organic Molecular Crystal Structure Prediction Using The Density Functional Tight-Binding Method, Maureen M. Kitheka, Yan Jing, Yan Yao, Puja Goyal
Efficient Organic Molecular Crystal Structure Prediction Using The Density Functional Tight-Binding Method, Maureen M. Kitheka, Yan Jing, Yan Yao, Puja Goyal
Faculty Publications – Chemistry
Over the years, computational crystal structure prediction (CSP) for organic molecules has thrived as an area of research, spanning various scientific disciplines and having significant applications in industries such as pharmaceuticals and agrochemicals. Within the field of batteries, redox-active organic materials (ROMs) such as quinones have received increased attention as promising electrode materials for rechargeable batteries. However, experimental determination of the crystal structure of intermediate species formed during the discharge/charge cycle can often be challenging. Incomplete X-ray diffraction patterns can also lead to difficulties in crystal structure determination for ROMs used in batteries. Use of a semiempirical electronic structure method …
Radical-Based Oxidative Pretreatment Enhances Biofuel Production From Lignocellulosic Biomass Via Hydrothermal Liquefaction, João Vitor Dos Santos, Louis C. Bondurant, Patrick G. Hatcher
Radical-Based Oxidative Pretreatment Enhances Biofuel Production From Lignocellulosic Biomass Via Hydrothermal Liquefaction, João Vitor Dos Santos, Louis C. Bondurant, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
The sustainable production of biofuels from lignocellulosic biomass is a central goal in the transition to low-carbon energy systems. However, hydrothermal liquefaction (HTL), a promising thermochemical conversion pathway, is constrained by the high oxygen content and complex aromatic structure of lignin, which lowers bio-oil quality. Here, we used a model system of brown-rot-degraded white oak (Quercus alba) to test whether radical-based oxidative pretreatment could enhance HTL performance by converting lignin into more aliphatic intermediates. Oxidation was performed under simulated Fenton conditions using fixed Fe(II) (60 ppm) and two hydrogen peroxide concentrations (3 and 8 M), resulting in extensive lignin depolymerization …
Twenty-One Years Of Global Atmospheric Chlorine Inventories From Atmospheric Chemistry Experiment Fourier Transform Spectrometer (Ace-Fts) Measurements, N. Raymond, P. Bernath, C. Boone, M. P. Chipperfield
Twenty-One Years Of Global Atmospheric Chlorine Inventories From Atmospheric Chemistry Experiment Fourier Transform Spectrometer (Ace-Fts) Measurements, N. Raymond, P. Bernath, C. Boone, M. P. Chipperfield
Chemistry & Biochemistry Faculty Publications
We present atmospheric chlorine inventories over 21 years (2004-2024) and five latitude bands (82-60°N, 60-30°N, 30°N-30°S, 30-60°S, 60-82°S) across altitudes from the surface up to 61 km. These inventories were calculated using the Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (ACE-FTS) version 5.3 retrievals of the volume mixing ratios (VMRs) of 13 chlorine-containing species. Of these, five are product gases: HCl, HOCl, ClONO₂, COClF, COCl₂, and eight are source gases: CCl₄, CH₃Cl, CFC-11 (CCl₃F), CFC-12 ( CCl₂F₂), CFC-113 (CClF₂CCl₂F}), HCFC-22 (CHF₂Cl), HCFC-141b ( C₂H₃Cl₂F), and HCFC-142b (C₂H₃}Cl₂F). Where necessary, ACE-FTS data were supplemented with data from the TOMCAT 3-D chemical transport model, …
Scanning Electron Microscopy As A Potential Tool For Distinguishing Charcoal From Dark, Oxidized, Biomass, João Vitor Dos Santos, Aleksandar I. Goranov, Lais Gomes Fregolente, Joao Marcos De Lima-Faria, Diego Stefani Teodoro Martinez, Patrick G. Hatcher
Scanning Electron Microscopy As A Potential Tool For Distinguishing Charcoal From Dark, Oxidized, Biomass, João Vitor Dos Santos, Aleksandar I. Goranov, Lais Gomes Fregolente, Joao Marcos De Lima-Faria, Diego Stefani Teodoro Martinez, Patrick G. Hatcher
Chemistry & Biochemistry Faculty Publications
Condensed aromatic carbon (ConAC) is widely used as a proxy for organic materials derived from biomass burning. However, recent evidence shows that ConAC can be also formed through nonpyrogenic oxidative processes. This study presents a proof-of-concept investigation using scanning electron microscopy (SEM) to distinguish charcoal from dark, ConAC-rich materials produced by ambient oxidation of biomass. Pine wood exposed to long-term iron-mediated oxidation was compared with unaltered wood and a controlled laboratory-generated charcoal reference. Conventional geochemical analytical methods, including benzenepoly(carboxylic acid) (BPCA) analysis, Fourier transform–ion cyclotron resonance–mass spectrometry (FT-ICR-MS), solid-state 13C nuclear magnetic resonance (NMR) spectroscopy, and elemental analysis, confirmed substantial …
High-Resolution Infrared Spectroscopy Of Jet-Cooled 1-Butene, Vladyslav Filatov
High-Resolution Infrared Spectroscopy Of Jet-Cooled 1-Butene, Vladyslav Filatov
Chemistry Honors Papers
A high-resolution absorbance spectrum of 1-butene was obtained in the 994–1000 cm⁻¹ region using a quantum cascade laser-based spectrometer coupled with a supersonic jet expansion source. To mitigate the low number density of the molecular jet, a multi-pass optical configuration was employed to achieve an effective path length of approximately six passes. Experimental spectra were calibrated using a methanol reference and etalon. Supporting calculations for vibrational frequencies and rotational constants were performed at the MP2/cc-pVTZ level of theory. The observed spectral features were assigned to the vibrational band ν25 (centered at 993.67 cm⁻¹), which was identified as a primarily a-type …
Using Nmr Spectroscopy And Linear Discriminant Analysis To Molecular Profile Varietal Honey, Taylor Mac
Using Nmr Spectroscopy And Linear Discriminant Analysis To Molecular Profile Varietal Honey, Taylor Mac
Master's Theses and Doctoral Dissertations
In recent years, varietal honey has been a massive target of adulteration through mislabeling and the addition of other sugars. Unethical companies do this to cut production costs while still charging the consumer full price. Previous studies have used nuclear magnetic resonance (NMR) to unravel possible adulteration in honey, but currently, there are no standard rapid methods to authenticate varietal honey. In our research, we collected NMR signatures (“fingerprints”) and combined them with linear discriminant analysis (LDA) to predict the varietal, country, and region of varietal honey. As a part of the project, we investigated whether an adjustment to the …
Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang
Scalable Transfer Of Dna Origami–Directed Nanoparticle Arrays Onto Functional Surfaces Using Thermal Release Tape, Yuwei Zhang, Chikadibia Genevieve Edward, Ethan Keuhn, Shelley D. Minteer, Risheng Wang
Chemistry Faculty Research & Creative Works
Precise integration of DNA origami nanostructures onto functional substrates is essential for advancing electronics, photonics, and biosensing. However, most surface-assembly methods are highly sensitive to substrate type, limiting their broader applications. Here, we introduce a thermal release tape (TRT)-assisted transfer method that enables efficient, large-area printing of DNA origami-guided gold nanoparticle (AuNP-DNA origami) arrays from mica onto diverse surfaces. The method relies on differential adhesion: AuNP-DNA origami arrays form strong electrostatic and hydrogen-bonding interactions with 3-aminopropyltriethoxysilane (APTES)-functionalized receiver substrates, while the TRT adhesive weakens upon heating to 120°C, allowing release from the tape. Using this approach, well-ordered AuNP-DNA origami arrays …
Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai
Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For Conformance Control In Ultra-High Temperature Reservoirs, Yanbo Liu, Tao Song, Caleb Kwasi Darko, Thomas P. Schuman, Mingzhen Wei, Baojun Bai
Chemistry Faculty Research & Creative Works
Preferential fluid flow remains a major challenge in subsurface energy production and gas storage operations, resulting in excessive water production in mature oil fields, reduced heat extraction in geothermal reservoirs, and low sweep and storage efficiency in CO2-EOR projects. Polymer gels are widely used to mitigate high-permeability channels; however, conventional systems exhibit limited plugging efficiency and short lifetimes in ultra-high-temperature reservoirs due to poor thermal stability. This study presents a novel ultra-high-temperature-resistant preformed particle gel (UHT-PPG) developed for conformance control in reservoirs with temperatures of 150–275 °C and severe super-K or channeling problems. The material was evaluated in …
Progression Toward Terminal Oxidation Of Starch Via Hybrid Organic–Enzymatic Bioanode For Renewable Carbohydrate Conversion, Adam Milam, Jose Intano, Shelley D. Minteer
Progression Toward Terminal Oxidation Of Starch Via Hybrid Organic–Enzymatic Bioanode For Renewable Carbohydrate Conversion, Adam Milam, Jose Intano, Shelley D. Minteer
Chemistry Faculty Research & Creative Works
The performance of starch-based biofuel cells is fundamentally limited by inefficient utilization of the fuel's inherent energy density. Sequential oxidation of carbohydrate fuels, such as glucose, the monomeric unit of starch, using minimal catalyst systems has therefore emerged as a promising strategy to improve biofuel cell efficiency. Here, we extend a previously reported three-catalyst, organic–enzymatic glucose oxidation cascade to polymeric carbohydrate fuels by integrating enzymatic starch depolymerization with downstream electrochemical oxidation. To our knowledge, this represents the first demonstration of a defined hybrid organic–enzymatic cascade designed to drive progression of starch-derived glucose equivalents toward terminal oxidation using a minimal catalyst …
Concerted Proton Transfer In Homogeneous And Heterogeneous Cyclic Hydrogen-Bonded Clusters Of H2o, Hf, And Hcl, Max R. Tucker, Yuan Xue, Nathan R. Speake, Eden Nickolson, Jeremy M. Carr, Gregory S. Tschumper
Concerted Proton Transfer In Homogeneous And Heterogeneous Cyclic Hydrogen-Bonded Clusters Of H2o, Hf, And Hcl, Max R. Tucker, Yuan Xue, Nathan R. Speake, Eden Nickolson, Jeremy M. Carr, Gregory S. Tschumper
Chemistry Faculty Research & Creative Works
This work examines various homogeneous and heterogeneous clusters of hydrogen-bonded (HF)x(H2O)y(HCl)z complexes, where x + y + z = 3 or 4. For each unique cyclic structure associated with the xyz permutations, the geometries of the reactant, product, and transition state (TS) for concerted proton transfer (CPT) were fully optimized using second-order Møller-Plesset perturbation theory (MP2) with a mixed basis set consisting of cc-pVTZ for H atoms and aug-cc-pVTZ for O, Cl, and F atoms (denoted haTZ). Harmonic vibrational frequencies were also computed at the same level of theory to verify the nature of the stationary points. Intrinsic …
Synthesis Of The Naga(S1−Xsex)2 Solid Solution From Mechanically Activated Precursors, Louisiane Verger, Julien Trébosc, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Olivier Hernandez, Eric Furet, Sébastien Chenu, David Le Coq, Laurent Calvez, Olivier Lafon
Synthesis Of The Naga(S1−Xsex)2 Solid Solution From Mechanically Activated Precursors, Louisiane Verger, Julien Trébosc, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Olivier Hernandez, Eric Furet, Sébastien Chenu, David Le Coq, Laurent Calvez, Olivier Lafon
Chemistry Faculty Research & Creative Works
NaGaS2 and NaGaSe2 are two recently discovered compounds that crystallize in the same structure type. In this work, NaGa(S1−xSex)2 (x = 0.5, 0.75 and 1) are prepared using an alternative synthesis route, mechanochemistry followed by heat treatment. Na2S, Na2Se, Ga2S3 and Ga2Se3 are milled in stoichiometric proportions. Differential scanning calorimetry, X-ray diffraction and solid-state nuclear magnetic resonance (23Na and 71Ga) show that the compounds after milling are composed of crystalline NaGa(S1−xSex)2 with an amorphous part. …
Raw Data For The Manuscript "Silicon-Stabilized Three-Dimensional Covalent Networks In High Entropy Diborides", Michael Yeung, Reza Mohammadi
Raw Data For The Manuscript "Silicon-Stabilized Three-Dimensional Covalent Networks In High Entropy Diborides", Michael Yeung, Reza Mohammadi
Chemistry Department Faculty Scholarship
Abstract for data:
Raw data for the journal publication, Silicon-stabilized three-dimensional covalent networks in high entropy diborides. ReadMe file provided.
Abstract for Journal publication:
High entropy ceramics offer a pathway to stabilize unconventional chemistries beyond traditional alloying rules. We report the incorporation of silicon into an AlB2-type high entropy diboride, Cr0.2Nb0.2Si0.2Ta0.2Ti0.2B2, despite silicon violating classical Hume-Rothery rules for alloying. Arc melting produced a phase-pure, chemically homogeneous structure, as confirmed by powder X-ray diffraction (pXRD) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM–EDS). Silicon occupies …
Pullulan Production From Lignocellulosic Plant Biomass Or Starch-Containing Processing Coproduct Hydrolysates, Thomas P. West
Pullulan Production From Lignocellulosic Plant Biomass Or Starch-Containing Processing Coproduct Hydrolysates, Thomas P. West
Faculty Publications
The complex polysaccharide pullulan is characterized as a glucose-containing biopolymer that is both water-soluble and neutral in polarity. A variety of commercial applications exist for pullulan, including its utilization as a flocculant, a blood plasma substitute, a food additive, a dielectric material, an adhesive, or a packaging film. The fungus Aureobasidium pullulans has used several hydrolysates derived from plant biomass or starch-containing processing coproducts to support polysaccharide production. These include various plant biomass or processing coproduct streams such as lignocellulosic-containing peat, prairie grass, stalks, hulls, straw, shells, and pods or starch-containing coproducts from the processing of corn, rice, jackfruit seeds, …
Flow Injection Determination Of Fluoride For Total Organic Fluorine Analysis, Memona Zulafiqar
Flow Injection Determination Of Fluoride For Total Organic Fluorine Analysis, Memona Zulafiqar
Chemistry & Biochemistry Theses
Poly- and perfluoroalkyl substances (PFAS) are anthropogenic chemicals that have gained increasing attention due to their association with a wide range of adverse health effects. These compounds are highly diverse, with approximately 15,000 PFAS reported. Their exceptional environmental stability and strong tendency to bioaccumulate result in environmentally relevant concentrations that typically occur at very low levels, often in the ng L⁻¹ range. This chemical diversity presents a major analytical challenge, as reference standards are available for only a limited number of PFAS. Consequently, conventional targeted analytical methods frequently quantify less than 1% of the total PFAS present, leading to a …