Chemistry Commons^™

Rate Coefficients For Rotational State-To-State Transitions In H2O + H2 Collisions As Predicted By Mixed Quantum–Classical Theory, Carolin Joy, Dulat Bostan, Bikramaditya Mandal, Dmitri Babikov

Chemistry Faculty Research and Publications

Aims. A new dataset of collisional rate coefficients for transitions between the rotational states of H₂O collided with H₂ background gas is developed. The goal is to expand over the other existing datasets in terms of the rotational states of water (200 states are included here) and the rotational states of hydrogen (10 states). All four symmetries of ortho- and para-water combined with ortho- and para-hydrogen are considered.

Methods. The mixed quantum–classical theory of inelastic scattering implemented in the code MQCT was employed. A detailed comparison with previous datasets was conducted to ensure that this …

Uranium(Vi) & Thorium(Iv) Speciation In Organic Media Containing Organophosphorus & Diglycolamide Extractants, Joel Castillo

UNLV Theses, Dissertations, Professional Papers, and Capstones

Developing sustainable green energy systems is a continually growing concern as the world is faced with urgent issues of climate change and global warming. Nuclear energy provides one of the most efficient solutions to supplying power to the electrical grid without causing more carbon pollution. There are nearly a hundred thousand metric tons of used nuclear fuel (UNF) stored on-site at decommissioned nuclear power plants for an indefinite period of time. Achieving a finalized closed fuel cycle is a crucial part in developing the nuclear energy necessary for combating the issues of pollution and greener energy. Understanding actinide speciation especially …

Cellulose–Starch Composite Aerogels As Thermal Superinsulating Materials, Safoura Ahmadzadeh, Angelina Sagardui, David Huitink, Jingyi Chen, Ali Ubeyitogullari

Chemistry & Biochemistry Faculty Publications and Presentations

The demand for sustainable packaging materials is rapidly increasing due to growing environmental concerns over the impact of plastic waste. In this study, biodegradable, porous, lightweight, and high-surface-area microcrystalline cellulose–starch (MCC-S) hybrid aerogels were synthesized via supercritical carbon dioxide (SC–CO₂) drying. The samples were generated using five different MCC-S weight ratios and characterized for their morphology, crystallinity, and structural and thermal properties. When MCC and S were used together, aerogels with superior properties were obtained compared to those made from each component individually. Specifically, the 1:2 MCC-S aerogel exhibited the highest porosity (97%), the lowest density (0.058 g/cm …

Development Of Uranium Fluoride Microstructures, Harry Jang

UNLV Theses, Dissertations, Professional Papers, and Capstones

Uranium microstructured materials with controlled size and shape have found applications in several branches of the nuclear industry including as targets for medical isotopes production, fuels for nuclear reactors, standards for analytical measurements, and energy sources for space exploration. Morphological studies of actinide materials are also highly relevant to nuclear forensics-related work. Other potential applications include information storage, catalysis, sensors, and luminescent devices. Most studies on uranium microstructured materials have focused on binary oxides, nitrides, carbides, and fluorides, with the spherical shape being the dominant morphology. Prior to the work reported in this dissertation, aside from UF4 microspheres (ms) and …

Nuclear Fuel Cycle Chemistry: A Density Functional Study, Eduardo Montoya

UNLV Theses, Dissertations, Professional Papers, and Capstones

The nuclear fuel cycle aptly describes the life cycle of nuclear fuel sources such as uranium. From its early forms in naturally bearing ores, to its high-temperature sintering into a fuel pellet, the chemistry uranium experiences throughout the fuel cycle is diverse, driving many experimental efforts towards understanding its chemistry to both improve nuclear technologies and advance the safety and handling of nuclear materials. Computing techniques and methodologies can be used to supplement experimental research and are readily available to researchers interested in utilizing computing-based data to support experimental findings. Density functional theory (DFT) is commonly practiced, reliably predicting the …

Methyl Jasmonate Advances Fruit Ripening, Colour Development, And Improves Antioxidant Quality Of ‘Yoho’ And ‘Jiro’ Persimmon, Mahmood Ul Hasan, Zora Singh, Hafiz Muhammad Shoaib Shah, Andrew Woodward, Eben Afrifa-Yamoah

Research outputs 2022 to 2026

Methyl jasmonate (MJ) has potential to regulate fruit ripening and quality. ‘Yoho’ and ‘Jiro’ persimmons were sprayed with MJ (0, 2, 4, and 6 mM), four weeks before anticipated harvest to evaluate its effects on fruit colour and bioactive compounds. Preharvest MJ application significantly improved fruit colour with increased a*, b*, chroma, and colour index. The MJ 6 mM application had significantly enhanced soluble solids content (SSC), reduced total chlorophyll content in peel and pulp, and soluble and total tannins in persimmons. MJ treatments exhibited higher contents of total phenolics, flavonoids, carotenoids, and antioxidant activities. Additionally, MJ treatments enhanced the …

Enhanced Light Absorption For Solid-State Brown Carbon From Wildfires Due To Organic And Water Coatings, Zezhen Cheng, Manish Shrivastava, Amna Ijaz, Daniel Veghte, Gregory W. Vandergrift, Kuo-Pin Tseng, Nurun Nahar Lata, Will Kew, Kaitlyn Suski, Johannes Weis, Gourihar Kulkarni, Larry K. Berg, Jerome D. Fast, Libor Kovarik, Lynn Mazzoleni, Alla Zelenyuk, Swarup China

Michigan Tech Publications

Wildfires emit solid-state strongly absorptive brown carbon (solid S-BrC, commonly known as tar ball), critical to Earth's radiation budget and climate, but their highly variable light absorption properties are typically not accounted for in climate models. Here, we show that from a Pacific Northwest wildfire, over 90% of particles are solid S-BrC with a mean refractive index of 1.49 + 0.056i at 550 nm. Model sensitivity studies show refractive index variation can cause a ~200% difference in regional absorption aerosol optical depth. We show that ~50% of solid S-BrC particles from this sample uptake water above 97% relative humidity. We …

Single-Entity Collisional Electrochemistry At The Micro- And/Or Nano-Interface Between Two Immiscible Electrolyte Solutions, Li-Fang Yang, Jun-Jie Chen, Ling-Yu Chen, Si-Qi Jin, Tao-Xiong Fang, Si-Jia He, Liang-Jun Shen, Xin-Jian Huang, Xiao-Hang Sun, Hai-Qiang Deng

Journal of Electrochemistry

Single-entity collisional electrochemistry (SECE) is a branch of single-entity electrochemistry. It can directly characterize entities/particles with single particle resolution through random collisions between particles and electrodes in a solution, and obtain rich physicochemical information, thus becoming one of the frontiers of electroanalytical chemistry in the past two decades. Interestingly, the (micro/nanoscale) sensing electrodes have evolved from a polarizable liquid/ liquid (mercury/liquid) interface to a solid/liquid interface and then to a liquid/liquid interface (i.e., an interface between two immiscible electrolyte solutions, ITIES), as if they have completed a cycle (but in fact they have not). ITIES has become the latest sensing …

Precision Delivery Using Nanopipette For Single-Cell Studies, He Zhang, Maksudur Rahman, Yang Tao, Joseph W Sampson, Hang Ren

Journal of Electrochemistry

Nanopipette based scanning probe technique is a versatile tool in non-contact imaging in biology. In addition to the topographic imaging, its capability of localized delivery of bio-active molecules is emerging. In this mini review, we introduce the applications of nanopipette in single-cell researches with a focus on localized delivery. The working principles of three delivery modes including resistive pulse, pressure-driven flow, and electroosmotic flow-driven delivery are summarized and compared. Their applications in single-cell researches are reviewed. The current technical challenges in scanning ion conductance microscopy-based delivery, and their growing influence in medicine and pharmacologic researches are also discussed.

Preface To Special Issue On Single-Entity Electroanalysis, Fei Li, Yi-Lun Ying, Yi-Ge Zhou

Journal of Electrochemistry

No abstract provided.

Author Spotlight, Li-Fang Yang, Joseph W. Sampson, Xiao-Hang Sun, Hai-Qiang Deng, He Zhang, Md Maksudur Rahman, Yang Tao, Hang Ren

Journal of Electrochemistry

No abstract provided.

Aqueous Supercapacitors With Wide Operative Voltage Window And Long Cycling Life Enabled By Electrolyte Hybridization Effect, Shi-Hua Ma, Qi Yin, Jin-Ping Zhao

Journal of Electrochemistry

Developing supercapacitors (SCs) with long cycling life and wide operative voltage window is a significant topic in the field of aqueous electrolytes. Although the design of water in salt (WIS) electrolytes has pushed the development of aqueous electrolytes to a new height, the WIS electrolytes with an operative voltage window of up to 2.5 V is still very scarce. Herein, in order to enrich the type of aqueous electrolyte with high operative voltage, tetramethylammonium trifluoromethanesulfonate (TMAOTf) based WIS electrolyte was used as a model to construct WIS based hybrid electrolyte with acetonitrile (ACN) co-solvent and LiTFSI co-solute. In view of …

Journal Of Electrochemistry, The Flagship Journal Of Chinese Chemical Society Electrochemical Committee, Made A Public Appearance At The 22nd National Electrochemical Congress, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The Award Ceremony Of The 2nd Xiamen University Short Video Abstract Contest For Science And Technology Journal Papers Came To A Successful Conclusion, Editorial Office Of J.Electrochem.

Journal of Electrochemistry

No abstract provided.

The 9th National Conference Of Solid State Battery Successfully Held In Xiamen, Fujian, Zheng-Liang Gong

Journal of Electrochemistry

No abstract provided.

Cyclization Of Diols Using Ferrocenium Cations & Other Iron-Based Catalysts, Cody D. Amann, Fnu Khushboo, Sai Anvesh Bezawada, Eike B. Bauer

Undergraduate Research Symposium

Our research involves the study and improvement of iron-based catalysts. The Bauer group has recently found that the ferrocenium cation, along with other iron-based compounds, are catalytically active in the cyclization of various diols to obtain five-membered tetrahydrofuran derivatives. My research involved comparing the effect of 2 different counter-anions of the ferrocenium cation along with 2 other iron-based catalysts that were previously synthesized in the Bauer lab for their catalytic activity in the title reaction. Cyclization test reactions were performed by reacting three different types of diols with each of four different iron catalysts. The three diols used were 4-methyl-1-phenyl-1,4-pentanediol …

Multiphase Electrochemical Li-Ion Intercalation In Iron Selenite: Evidence Of Fe³⁺/⁴⁺ Redox And Single-Crystal-To-Single-Crystal Topochemical Transformation During Chemical Lithiation, Sutapa Bhattacharya, Aleksandr V. Chernatynskiy, Amitava Choudhury

Physics Faculty Research & Creative Works

An iron selenite-based cathode compound, LiFe(SeO₃)₂, is synthesized via a simple hydrothermal route. The bulk purity of the compound is confirmed by powder X-ray diffraction (PXRD), Mössbauer spectroscopy, and Fourier transform infrared spectroscopy (FTIR). The crystal structure determined from the single-crystal X-ray diffraction and Rietveld refinement of synchrotron PXRD data perfectly matches the previously reported structure in the I4̅2d space group. The crystal structure is built up of edge-sharing of FeO₆ octahedra and LiO₄ tetrahedra interconnected by SeO₃ trigonal pyramidal units, forming a three-dimensional open framework network with channels through all three axes. …

Study On The Seasonal Endobacterial Profile Of Avicennia Officinalis, Focusing On Core Bacterial Consortia Within Mangrove Pneumatophores, Devi R R, Vinod Prabhakar

Karbala International Journal of Modern Science

Microhabitats are smaller pockets of ecosystems with unique conditions and they serve as major contributors of species richness. Mangrove plants offer a diverse array of such microhabitats (rhizosphere, phyllosphere, endosphereetc), and the inhabitant bacteria benefit the host by providing better salinity tolerance, faster and better nutrient mobilization, protection from phytopathogens and assistance in seed germination. Identification of such beneficial bacteria,their growth requirementsandmetabolism, willhave direct application in the field of agriculture and ecosystem restoration. Hence in this study, effort has been made to elucidate the seasonal numerical and compositional profile of pneumatophore bacterial consortia of Avicennia officinalis, from the mangrove …

Conformational Flexibility Of The C-Terminal Region Influences Distal Active Site Residues Across The Tautomerase Superfamily, Christopher Argueta, Andrew Parkins, Georgios Pantouris

Pacific Faculty Work

Consisting of more than 11,000 members distributed over five families, the tautomerase superfamily (TSF) is a large collection of proteins with diverse biological functions. While much attention has been given to individual TSF enzymes, a majority remain structurally and functionally uncharacterized. Given its large size, studying a representative member of each family offers a viable approach for extracting mechanistic insights applicable to the entire superfamily. In this study, cis-3-chloroacrylic acid dehalogenase (cis-CaaD), 5-carboxymethyl-2-hydroxymuconate isomerase (CHMI), malonate semialdehyde decarboxylase (MSAD), and 4-oxalocrotonate tautomerase (4-OT) were referenced against the well-studied macrophage migration inhibitory factor (MIF) and D-dopachrome tautomerase (D-DT) using triplicate 1 …

Synthesis And Characterization Of Water Soluble Thiosemicarbazone-Alkylthiocarbamate Ligands And Their Cu(Ii) Complexes, John J. Garvey Iv, Sanjit Karki, Haixun Guo, Levi J. Beverly, Craig A. Grapperhaus, Robert M. Buchanan

The Cardinal Edge

Thiosemicarbazone-alkylthiocarbamate N₂S₂ hybrid ligands are emerging as an important class of potential bioactive molecules that possess important pharmacokinetic properties. Resulting metal complexes have electronic properties that are composites of their homolog forms, bis-thiosemicarbazones and bis-alkylthiocarbamates, allowing for tuning redox potentials over a nearly 450 mV range. These versatile ligand frameworks possess remarkable antiproliferation activity against a broad range of solid tumors and low toxicity towards normal cells¹ indicating great promise for future drug development. Herein, we describe recent synthetic efforts to improve water solubility of thiosemicarbazone-alkylthiocarbamate hybrid ligand Cu(II) complexes. The parent 4-methyl-3-thiosemicarbazide half arm was …

Studying Organic Chemistry Students’ Scientific Modeling Practices Through A Semi-Structured Interview, Daniel Mays, Morgan Balabanoff

The Cardinal Edge

Many areas of natural science deal with unobservable phenomena. Scientists develop and use models to make sense of these aspects of nature. Chemistry is certainly no exception – in fact, given the molecular nature of chemical interactions, the modern understanding of chemistry is largely based on well-established scientific models. Because models are so important in chemistry, understanding how students develop and use models in the learning process stands to offer key insights into how to better teach chemistry. This project is focused on exploring how students of organic chemistry develop and use scientific models to predict the outcome of reactions. …

Investigating Factors Influencing Science Student Retention, Hayley Benson, Morgan Balabanoff

The Cardinal Edge

Retention in and across STEM degrees has been a significant problem across institutions. By the time students have reached their third year, the University of Louisville has lost over 50% of the students who entered as first-year students.

The main objective of this study is to investigate variables such as sense of belonging, student’s mindset, and science identity and their relationship with retention in STEM degrees. While many studies have identified gaps among student groups across these variables, few studies have generated solutions to address these gaps. Further, the proposed solutions are often from the viewpoint of researchers and upper …

Investigating The Role Of Tetherin Protein In Multivesicular Bodies Fusions In Lung Cancer Cells, Md. Rakib Miah

Electronic Theses and Dissertations

Cells rely on the secretion of exosomes to communicate with one another and this process is potentially mediated by a protein called tetherin, which anchors exosomes to the cell surface to limit their spread. Tetherin protein has attracted a lot of attention because of its capacity to hinder the propagation of viruses by attaching virions to the surface of host cells. Treatment with interferon-alpha (IFNα) increases the production of tetherin, although it is not known how this affects tetherin localization and exosome-mediated communication. This thesis looks at how the expression of tetherin, which IFNα boosts, affects the dynamics of intercellular …

Potential Cell Preservation In Mars-Relevant Clay Minerals, Hanford Gerille Gonzales, Leena M. Cycil, Elisabeth Hausrath

Undergraduate Research Symposium Posters

This study investigates the potential of Fe-nontronite, a clay mineral found on Mars, to preserve biological cells and retain biosignatures such as trace metals. The research explores the preservation potential of nontronite by reacting it with cells under the following conditions: 1) reacting cells with nontronite precursors at low temperature and 2) reacting cells with the already synthesized nontronite made at high temperature. Microbial species Shewanella oneidensis and Geobacter metallireducens, known for their relevance to iron-rich environments, were introduced in intact and lysed forms to assess their interactions with each condition of nontronite. Preliminary results from scanning electron microscopy (SEM) …

Chemical And Structural Design Of Single Molecule Switches, Elaina Grogg

Longwood Senior Thesis Proposal

No abstract provided.

Corrosion Behavior Of 304 Stainless Steel In H2so4/Nacl In The Absence And Presence Of Molybdate And Tungstate, Asma Yousef Alkaabi

Thesis/ Dissertation Defenses

In this study, the corrosion behavior of 304 austenitic stainless steel was investigated in H₂SO₄ solutions, H₂SO₄ as a function of Cl^- ions concentration, H₂SO₄ as a function of MoO₄^2- ions concentration, and H₂SO₄ + Cl^- ions as a function of MoO₄^2- ions concentration. Moreover, the synergistic inhibition of MoO₄^2- and WO₄^2- ions was investigated in 0.1 M H₂SO₄, with the solution pH adjusted to 3.0. The findings show that the corrosion current density …

Novel Nanocomposite Of Carbonized Chitosan-Zinc Oxide-Magnetite For Adsorption Of Toxic Elements From Aqueous Solutions, Dalia A. Ali Eng, Ganna Gaber Ismail Eng.

Chemical Engineering

Herein, a novel nanocomposite (carbonized chitosan-zinc oxide-magnetite, CCZF) was developed to effectively remove toxic elements in water remediation. Combining the high adsorption capacities of chitosan with the magnetic properties of magnetite and the chemical stability of zinc oxide, the combination of these unique properties makes it an efficient and versatile material that offers a sustainable solution for water purification. The (CCZF) nanocomposite was synthesized through the coprecipitation method and characterized using various techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET) analysis, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and zeta potential analysis. The results showed …

Ptsd Increases Risk For Hypertension Development Through Pvn Activation And Vascular Dysfunction In Sprague Dawley Rats, Xinqian Chen, Xin Yan, Chunxiu Yu, Qing-Hui Chen, Lanrong Bi, Zhiying Shan

Michigan Tech Publications

This study investigates the impact of single prolonged stress (SPS), a model of post-traumatic stress disorder (PTSD), on cardiovascular responses, hypothalamic paraventricular nucleus (PVN) activity, and vascular function to elucidate the mechanisms linking traumatic stress to hypertension. Although SPS did not directly cause chronic hypertension in male Sprague Dawley (SD) rats, it induced acute but transient increases in blood pressure and heart rate and significantly altered the expression of hypertension-associated genes, such as vasopressin, angiotensin II type 1 receptor (AT1R), and FOSL1 in the PVN. Notably, mitochondrial reactive oxygen species (mtROS) were predominantly elevated in the pre-autonomic regions of the …

Inactivation Of Bacteria Using Synergistic Hydrogen Peroxide With Split-Dose Nanosecond Pulsed Electric Field Exposures., Zachary Rosenzweig, Jerrick Garcia, Gary L Thompson, Lark Perez

College of Science & Mathematics Departmental Research

The use of pulsed electric fields (PEF) as a nonthermal technology for the decontamination of foods is of growing interest. This study aimed to enhance the inactivation of Escherichia coli, Listeria innocua, and Salmonella enterica in Gomori buffer using a combination of nsPEF and hydrogen peroxide (H2O2). Three sub-MIC concentrations (0.1, 0.3, and 0.5%) of H2O2 and various contact times ranging from 5-45 min were tested. PEF exposures as both single (1000 pulse) and split-dose (500+500 pulse) trains were delivered via square-wave, monopolar, 600 ns pulses at 21 kV/cm and 10 Hz. We demonstrate that >5 log CFU/mL reduction can …

Battle Of The Ch Motions: Aliphatic Vs Aromatic Contributions To Astronomical Pah Emission And Exploration Of The Aliphatic, Aromatic, And Ethynyl Ch Stretches, Vincent J. Esposito, Salma Bejaoui, Brant E. Billinghurst, Christiaan Boersma, Ryan C. Fortenberry, Farid Salama

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Strong anharmonic coupling between vibrational states in polycyclic aromatic hydrocarbons (PAH) produces highly mixed vibrational transitions that challenge the current understanding of the nature of the astronomical mid-infrared PAH emission bands. Traditionally, PAH emission bands have been characterized as either aromatic or aliphatic, and this assignment is used to determine the fraction of aliphatic carbon in astronomical sources. In reality, each of the transitions previously utilized for such an attribution is highly mixed with contributions from both aliphatic and aromatic CH motions as well as non-CH motions such as CC stretches. High-resolution gas-phase IR absorption measurements of the spectra of …