Chemistry Commons^™

Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn Morrison

Chemical and Biochemical Engineering Faculty Research & Creative Works

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO₂.

Effects Of Ionic Liquids On Metalloproteins., Aashka Y Patel, Keertana S Jonnalagadda, Nicholas Paradis, Timothy Vaden, Chun Wu, Gregory A. Caputo

College of Science & Mathematics Departmental Research

In the past decade, innovative protein therapies and bio-similar industries have grown rapidly. Additionally, ionic liquids (ILs) have been an area of great interest and rapid development in industrial processes over a similar timeline. Therefore, there is a pressing need to understand the structure and function of proteins in novel environments with ILs. Understanding the short-term and long-term stability of protein molecules in IL formulations will be key to using ILs for protein technologies. Similarly, ILs have been investigated as part of therapeutic delivery systems and implicated in numerous studies in which ILs impact the activity and/or stability of protein …

Collisional Excitation Of Interstellar Pn By H₂: New Interaction Potential And Scattering Calculations, Benjamin Desrousseaux, Ernesto Quintas-Sánchez, Richard Dawes, Sarantos Marinakis, François Lique

Chemistry Faculty Research & Creative Works

Rotational excitation of interstellar PN molecules induced by collisions with H₂ is investigated. We present the first ab initio four-dimensional potential energy surface (PES) for the PN-H₂ van der Waals system. The PES was obtained using an explicitly correlated coupled cluster approach with single, double, and perturbative triple excitations [CCSD(T)-F12b]. The method of interpolating moving least squares was used to construct an analytical PES from these data. The equilibrium structure of the complex was found to be linear, with H₂ aligned at the N end of the PN molecule, at an intermolecular separation of 4.2 Å. The …

Chemistry And Biochemistry News, Georgia Southern University

Biochemistry, Chemistry & Physics: News & Publications (2012-2023)

• Dr. Rafael Quirino awarded NSF-IRES grant

• Dr. Arpita Saha wins 2021 Felton Jenkins Jr. Hall of Fame Faculty Award

Regulation Of Kv11.1 Isoform Expression By Polyadenylate Binding Protein Nuclear 1, Matthew R. Stump, Rachel T. Nguyen, Rachel H. Drgastin, Delaney Search, Quiming Gong, Zhengfeng Zhou

Faculty Publications - Department of Biological & Molecular Science

The Kv11.1 voltage-gated potassium channel, encoded by the KCNH2 gene, conducts the rapidly activating delayed rectifier current in the heart. KCNH2 pre-mRNA undergoes alternative polyadenylation to generate two C-terminal Kv11.1 isoforms in the heart. Utilization of a poly(A) signal in exon 15 produces the full-length, functional Kv11.1a isoform, while intron 9 polyadenylation generates the C-terminally truncated, nonfunctional Kv11.1a-USO isoform. The relative expression of Kv11.1a and Kv11.1a-USO isoforms plays an important role in the regulation of Kv11.1 channel function. In this study, we tested the hypothesis that the RNA polyadenylate binding protein nuclear 1 (PABPN1) interacts with a unique 22 nt …

Cardiac Inflammation, Oxidative Stress, Nrf2 Expression, And Coagulation Events In Mice With Experimental Chronic Kidney Disease, Abderrahim Nemmar, Suhail Al-Salam, Sumaya Beegam, Nur Elena Zaaba, Javed Yasin, Naserddine Hamadi, Badreldin H. Ali

All Works

Chronic kidney disease (CKD) is known to be associated with cardiovascular dysfunction. Dietary adenine intake in mice is also known to induce CKD. However, in this experimental model, the mechanisms underlying the cardiotoxicity and coagulation disturbances are not fully understood. Here, we evaluated cardiac inflammation, oxidative stress, DNA damage, and coagulation events in mice with adenine (0.2% w/w in feed for 4 weeks)-induced CKD. Control mice were fed with normal chow for the same duration. Adenine increased water intake, urine output, relative kidney weight, the plasma concentrations of urea and creatinine, and the urinary concentrations of kidney injury molecule-1 and …

Synthesis And Evaluation Of Cellulose-Based, 1,2,3-Triazolium-Functionalized Polymerized Ionic Liquids: Thermal Transitions, Ionic Conductivities, And Morphological Properties, Rose J. Miller, Vanessa M. Smith, Stacey A. Love, Sarah M. Byron, David Salas-De La Cruz, Kevin M. Miller

Faculty & Staff Research and Creative Activity

A series of 1,2,3-triazolium-functionalized cellulose derivatives were prepared using an azide–alkyne “click” cyclization strategy, followed by quaternization. As cellulose represents an inexpensive and sustainable biomacromolecule, the ability to functionalize the backbone with an ionic liquid and generate conductive materials is of great interest. Here, three different counteranions ([Br], [OTf], and [NTf2]) were employed to explore the interplay between thermal, conductive, and morphological properties using a diverse set of techniques including nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), thermal gravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray scattering, and dielectric relaxation spectroscopy (DRS). Functionalization of native cellulose resulted in …

Anharmonic Vibrational Frequencies And Spectroscopic Constants For The Detection Of Ethynol In Space, Jax D. Dallas, Brent R. Westbrook, Ryan C. Fortenberry

Faculty and Student Publications

The ethynol (HCCOH) molecule has recently been shown to be present in simulated astrochemical ices possibly linking it to molecular building blocks for interstellar complex organic molecules like amino acids. The proposed reaction mechanism suggests the simultaneous formation of both ketene and ethynol from mixed carbon monoxide/water ice in simulated interstellar conditions. Rigorous anharmonic spectral data within both the IR and microwave regions are needed for possible detection of ethynol in the interstellar medium. This study provides the first such data for this molecule from high-level quantum chemical computations where experiment is currently lacking. Ethynol has a (Formula presented.) comparable …

Light-Directed Growth Of Semiconductor Nanomaterials By Photoelectrodeposition, Chu Qin

Arts & Sciences Graduate Student Theses and Dissertations

In this work, the chemical and physical properties of semiconductor microcrystals and metastable polymorphs were transformed through photoexcitation during electrochemical synthesis. Interfacial charge transfer using photogenerated carriers were used to successfully control the growth of metal oxide semiconductors and change their morphology, composition improve their catalytic activity. The main material systems studied in this thesis are electrodeposited copper oxide (Cu2O) and manganese oxide (MnOx) semiconductor films. Illumination can direct the shape transformation of Cu2O crystals at the nanoscale by facet-selective charge transfer. During photoelectrodeposition on Cu2O microcrystals with well-developed facets, light mediates the deposition of copper metal selectively on the …

Mass Spectrometry-Based Strategies In Protein Higher Order Structure Analysis: Fundamentals And Applications In Protein-Ligand Interactions, Xiaoran Liu

Arts & Sciences Graduate Student Theses and Dissertations

Protein ligand interaction is a fundamental question in biology and biochemistry, and many approaches including X-ray crystallography, nuclear magnetic resonance, cryogenic electron microscopy, mass spectroscopy (MS), infrared spectroscopy, circular dichroism, fluorescence spectroscopy and many others have been applied to address this question. Among these techniques, mass spectroscopy has the advantage of high throughput, low sample amount requirement, and mid-to-high spatial resolution. One of the MS-based approaches is protein footprinting, which utilizes labeling reagents to map the solvent accessible surface of the protein of interest thus deliver structural information. Irreversible labeling is represented by covalent labeling and radical labeling, in which …

Surface Modification Of Ii-Vi Semiconducting Nanocrystals, Calynn Morrison

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation presents the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES), a novel low-temperature shell growth precursor and installation pathway, and L-type for Z-type ligand exchange experiments conducted with four metal dithiocarbamate ligands. The techniques employed in the compositional analysis of semiconductor materials by inductively coupled plasma optical emission spectroscopy (ICP-OES) have a profound influence on the accuracy and reproducibility of the results. In Chapter 3, we describe methods for sample preparation, calibration, standard selection, and data collection. Specific protocols are suggested for the analysis of II-VI compounds and nanocrystals containing the elements Zn, …

Molecular Strategies To Overcome Antibiotic Resistance, Luting Fang

Arts & Sciences Graduate Student Theses and Dissertations

Antibiotics have greatly reduced the number of deaths caused by infectious diseases for the last 70 years, but as a result of overuse, antimicrobial resistance emerged. Resistance is the major reason why most traditional antibiotics currently have reduced clinical efficacy. However, there is still a drive to overcome this resistance in a variety of ways. There are two main avenues of research to overcome resistance; to discover and develop new drug candidates acting on new targets and pathways, and to determine the mechanisms of antibiotic resistance in order to combat it through multi-drug therapies, bringing back the effectiveness of antibiotics …

Structural And Functional Examination Of A Nonribosomal Peptide Synthetase Producing Β-Lactone Antibiotics, Erin Marie Gemmell

Arts & Sciences Graduate Student Theses and Dissertations

With the amount of antibiotic resistant infections increasing and the number of new antibiotics entering the pharmaceutical pipeline decreasing, the need to develop new antibiotic is imperative. Utilizing bacteria’s biosynthetic pathways for antimicrobial secondary metabolite production, would allow for unique, complex, and stereoselective compounds to be tested for novel mechanisms of action. The work described herein utilizes a β-lactone forming nonribosomal peptide synthetase (NRPS) to form a library of analogs of the nonribosomal peptide (NRP) natural product, obafluorin. β-lactones are very reactive electrophiles that can form covalent bonds with a wide range of biological targets that may provide alternative mechanisms …

Synthesis, Core-Shell Growth, And Surface Chemistry Of 2-Dimensional Cadmium Telluride And Cadmium Selenide Nanocrystals, Haochen Sun

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation presents the synthesis, shell deposition, and surface ligand-exchange chemistry of 2-dimensional cadmium telluride and cadmium selenide nanocrystals. Flat, colloidal 2-dimensional CdTe and CdSe nanoplatelets are promising materials for optical and electronic applications. The research presented here will enable better understanding of their properties and facilitate further applications.First, a new tellurium precursor, tris(dimethylamino)phosphine telluride is readily prepared and is found to have superior reactivity than the trialkylphosphine tellurides that are commonly used for nanocrystal synthesis. Wurtzite CdTe nanoplatelets, (CdTe)13 magic-size nanoclusters, and CdTe quantum wires are synthesized with this precursor, and are fully characterized. It is demonstrated that in …

Developing Methods For Diversifying Molecular Scaffolds Directly On A Microelectrode Array, Nai-Hua Yeh

Arts & Sciences Graduate Student Theses and Dissertations

Microelectrode arrays contain collections of spatially isolated electrodes that can be individually addressed. Thus, the arrays have the potential to support synthesis of molecular libraries if unique members of the library can be located next to unique electrodes in the array. The result would be an intriguing platform for screening the molecules in the library against biological receptors in order to identify high-affinity ligands for those targets, especially since the arrays themselves can be directly used in the signaling studies. To expand the capabilities of the arrays, the goal of this thesis is to develop the new array chemistry needed …

Flexible Nanopaper Composed Of Wood-Derived Nanofibrillated Cellulose And Graphene Building Blocks, Qing Li, Ming Dai, Xueren Qian, Tian Liu, Zhenbo Liu, Yu Liu, Ming Chen, Wang He, Suqing Zeng, Yu Meng, Chenchen Dai, Jing Shen, Yingtao Liu, Wenshuai Chen, Wenbo Liu, Ping Lu

College of Science & Mathematics Departmental Research

Nanopaper has attracted considerable interest in the fields of films and paper research. However, the challenge of integrating the many advantages of nanopaper still remains. Herein, we developed a facile strategy to fabricate multifunctional nanocomposite paper (NGCP) composed of wood-derived nanofibrillated cellulose (NFC) and graphene as building blocks. NFC suspension was consisted of long and entangled NFCs (10–30 nm in width) and their aggregates. Before NGCP formation, NFC was chemically modified with a silane coupling agent to ensure that it could interact strongly with graphene in NGCP. The resulting NGCP samples were flexible and could be bent repeatedly without any …

Experimental And Computational Observations Of Immunogenic Cobalt Porphyrin Lipid Bilayers: Nanodomain-Enhanced Antigen Association., Jasmin Federizon, Conrard Giresse Tetsassi Feugmo, Wei-Chiao Huang, Xuedan He, Kazutoyo Miura, Aida Razi, Joaquin Ortega, Mikko Karttunen, Jonathan F Lovell

Chemistry Publications

Cobalt porphyrin phospholipid (CoPoP) can incorporate within bilayers to enable non-covalent surface-display of antigens on liposomes by mixing with proteins bearing a polyhistidine tag (his-tag); however, the mechanisms for how this occurs are poorly understood. These were investigated using the his-tagged model antigen Pfs25, a protein antigen candidate for malaria transmission-blocking vaccines. Pfs25 was found to associate with the small molecule aquocobalamin, a form of vitamin B12 and a cobalt-containing corrin macrocycle, but without particle formation, enabling comparative assessment. Relative to CoPoP liposomes, binding and serum stability studies indicated a weaker association of Pfs25 to aquocobalamin or cobalt nitrilotriacetic acid …

Carbon Fibers Coated With Ternary Ni-Co-Se Alloy Particles As Low-Cost Counter Electrode For Flexible Dye Sensitized Solar Cell, Brishty Deb Choudhury, Chen Lin, Sk Md Ali Zaker Shawon, Javier Soliz-Martinez, Jose Gutierrez, Muhammad N. Huda, Federico Cesano, Karen Lozano, Jin Zhong Zhang, M. Jasim Uddin

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Compared to flat devices based on rigid substrates, cable-shaped dye-sensitized solar cells hold advantages of smaller size, light weight, facile fabrication, flexibility, and low cost, thus a promising direction for applications such as wearable electronic devices. However, most reported fiber-shaped dye-sensitized solar cells use Pt wires as counter electrodes, which are high in cost. Herein, a flexible Pt-free counter electrode is fabricated via depositing ternary nickel cobalt selenide (Ni–Co–Se) particles on the surface of carbon fibers. Scanning electron microscopy and X-ray diffraction are used to characterize the counter electrode and alloy material. Results from bare and modified carbon fiber counter …

Comparison Of Bifurcated Halogen With Hydrogen Bonds, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Bifurcated halogen bonds are constructed with FBr and FI as Lewis acids, paired with NH₃ and NCH bases. The first type considered places two bases together with a single acid, while the reverse case of two acids sharing a single base constitutes the second type. These bifurcated systems are compared with the analogous H-bonds wherein FH serves as the acid. In most cases, a bifurcated system is energetically inferior to a single linear bond. There is a larger energetic cost to forcing the single σ-hole of an acid to interact with a pair of bases, than the other way …

Rechargeable Batteries Including High-Voltage Cathode And Redox Shuttle Conferring Overcharge Protection, Susan A. Odom, Aman Preet Kaur, Corrine F. Elliott

Chemistry Faculty Patents

Compounds for use as photoredox catalysts and as redox shuttles in a rechargeable battery having a high-voltage cathode providing overcharge protection capabilities are provided, including a compound according to the formula: (see patent for formula)

wherein R is selected from the group consisting of alkyl, aryl, alkylaryl, alkoxyaryl, alkylcarboxyl, aryl carbonyl, haloalkyl, perfluoroalkyl, glycols, haloaryl, a negative electrolyte, and a polymer.

Biochemical Characterization Of The Two-Component Flavin-Dependent Monooxygenase Involved In Valanimycin Biosynthesis, Hao Li, Benedicta Forson, Meital Eckshtain-Levi, Hannah Valentino, Julia S. Martín Del Campo, John J. Tanner, Pablo Sobrado

Chemistry Faculty Research & Creative Works

The flavin reductase (FRED) and isobutyl amine N-hydroxylase (IBAH) from Streptomyces viridifaciens constitute a two-component, flavin-dependent monooxygenase system that catalyzes the first step in valanimycin biosynthesis. FRED is an oxidoreductase that provides the reduced flavin to IBAH, which then catalyzes the hydroxylation of isobutyl amine (IBA) to isobutyl hydroxylamine (IBHA). In this work, we used several complementary methods to investigate FAD binding, steady-state and rapid reaction kinetics, and enzyme-enzyme interactions in the FRED: IBAH system. The affinity of FRED for FADox is higher than its affinity for FADred, consistent with its function as a flavin reductase. Conversely, IBAH binds FADred …

Water Spines And Networks In G-Quadruplex Structures, Kevin Li , '22, Liliya A. Yatsunyk, S. Neidle

Chemistry & Biochemistry Faculty Works

Quadruplex DNAs can fold into a variety of distinct topologies, depending in part on loop types and orientations of individual strands, as shown by high-resolution crystal and NMR structures. Crystal structures also show associated water molecules. We report here on an analysis of the hydration arrangements around selected folded quadruplex DNAs, which has revealed several prominent features that re-occur in related structures. Many of the primary-sphere water molecules are found in the grooves and loop regions of these structures. At least one groove in anti-parallel and hybrid quadruplex structures is long and narrow and contains an extensive spine of linked …

Simulations Of H2 Sorption In Metal-Organic Frameworks, Shanelle Suepaul

USF Tampa Graduate Theses and Dissertations

Metal-organic frameworks are a diverse group of crystalline materials consisting of metal ionscoordinated to organic ligands. Their characteristic high porosity, large surface area along with tunable pore structures and chemical functionalities make them an exceptional candidate for H2 storage applications. Computational studies of H2 sorption in metal-organic frameworks aid in producing molecular-level insights which can facilitate the design of structures with improved performance. In this work, various MOFs were investigated using grand canonical Monte Carlo simulations.

Addressed first are two MOFs with rht topologies which consist of two chemically distinct Cu2+ ions coordinated to triisophthalate ligands. Through electronic structure calculations …

Single-Beam Inscription Of Plasmon-Induced Surface Gratings, Denis Ab Therien, Nina M. Culum, Danielle M. Mcrae, Leila Mazaheri, Francois Lagugne-Labarthet

Chemistry Publications

The formation of gratings on gold nanoprisms arrays by plasmon-mediated reduction of a diazonium salt is investigated. Nanosphere lithography (NSL) is used to produce large surfaces of gold nanoprisms that are effective at reducing diazonium salts by producing hot electrons through excitation of localized surface plasmon resonances (LSPRs). Using single beam irradiation, we report here on the formation of periodic structures formed from the diazonium salts and that follow the NSL structures. On plasmonically active nanoprism substrates, the electric field enhancement promotes chemical reduction and hence modifies the grafting direction and grating properties of the ripples. The nanoprisms act as …

Critical And Ictal Phases In Simulated Eeg Signals On A Small-World Network, Louis R. Nemzer, Gary D. Cravens, Robert M. Worth, Francis Motta, Andon Placzek, Victor Castro, Jennie Q. Lou

Chemistry and Physics Faculty Articles

Healthy brain function is marked by neuronal network dynamics at or near the critical phase, which separates regimes of instability and stasis. A failure to remain at this critical point can lead to neurological disorders such as epilepsy, which is associated with pathological synchronization of neuronal oscillations. Using full Hodgkin-Huxley (HH) simulations on a Small-World Network, we are able to generate synthetic electroencephalogram (EEG) signals with intervals corresponding to seizure (ictal) or non-seizure (interictal) states that can occur based on the hyperexcitability of the artificial neurons and the strength and topology of the synaptic connections between them. These interictal simulations …

Self-Assembled Thermoresponsive Nanogel From Grafted Hyaluronic Acid As A Biocompatible Delivery Platform For Curcumin With Enhanced Drug Loading And Biological Activities, Jittima Amie Luckanagul, Pahweenvaj Ratnatilaka Na Bhuket, Chawanphat Muangnoi, Pranee Rojsitthisak, Qian Wang, Pornchai Rojsitthisak

Faculty Publications

A hyaluronic acid-grafted poly(N-isopropylacrylamide) (HA-pNIPAM) was synthesized as a polymeric nanogel platform for encapsulation and delivery of hydrophobic bioactive compounds using curcumin as a model drug. As demonstrated by transmission electron microscopy and dynamic light scattering techniques, the HA-pNIPAM was simply assembled into spherical nano-sized particles with the thermoresponsive behavior. The success of curcumin aqueous solubilization was confirmed by fluorescent spectroscopy. The resulting nanogel formulation enhanced the aqueous solubility and uptake into NIH-3T3 cells of curcumin. This nanogel formulation also demonstrates cytocompatibility against NIH-3T3 cells, which deems it safe as a delivery vehicle. Moreover, the formulation has a slight skin-protection …

Luteolin Inhibits Proliferation, Triggers Apoptosis And Modulates Akt/Mtor And Map Kinase Pathways In Hela Cells, Ritu Raina, Sreepoorna Pramodh, Naushad Rais, Shafiul Haque, Jasmin Shafarin, Khuloud Bajbouj, Mawieh Hamad, Arif Hussain

All Works

Flavonoids, a subclass of polyphenols, have been shown to be effective against several types of cancer, by decreasing proliferation and inducing apoptosis. Therefore, the aim of the present study was to assess the anti-carcinogenic potential of luteolin on HeLa human cervical cancer cells, through the use of a cell viability assay, DNA fragmentation assay, mitochondrial membrane potential assay, cell cycle analysis using Annexin/PI staining and flow cytometry, gene expression analysis and a protein profiling array. Luteolin treatment exhibited cytotoxicity towards HeLa cells in a dose- and time-dependent manner, and its anti-proliferative properties were confirmed by accumulation of luteolin-treated cells in …

Development Of An Understanding Of Reactive Mercury In Ambient Air: A Review, Mae Sexauer Gustin, Sarrah M. Dunham-Cheatham, Jiaoyan Huang, Steve Lindberg, Seth N. Lyman

Chemistry and Biochemistry Faculty Publications

This review focuses on providing the history of measurement efforts to quantify and characterize the compounds of reactive mercury (RM), and the current status of measurement methods and knowledge. RM collectively represents gaseous oxidized mercury (GOM) and that bound to particles. The presence of RM was first recognized through measurement of coal-fired power plant emissions. Once discovered, researchers focused on developing methods for measuring RM in ambient air. First, tubular KCl-coated denuders were used for stack gas measurements, followed by mist chambers and annular denuders for ambient air measurements. For ~15 years, thermal desorption of an annular KCl denuder in …

Probing The Effects Of Heterogeneous Oxidative Modifications On The Stability Of Cytochrome, Victor Yin, Lars Konermann

Chemistry Publications

Covalent modifications by reactive oxygen species can modulate the function and stability of proteins. Thermal unfolding experiments in solution are a standard tool for probing oxidation-induced stability changes. Complementary to such solution investigations, the stability of electrosprayed protein ions can be assessed in the gas phase by collision-induced unfolding (CIU) and ion-mobility spectrometry. A question that remains to be explored is whether oxidation-induced stability alterations in solution are mirrored by the CIU behavior of gaseous protein ions. Here, we address this question using chloramine-T-oxidized cytochrome c (CT-cyt c) as a model system. CT-cyt c comprises various proteoforms that have …

Interrogating The Quaternary Structure Of Noncanonical Hemoglobin Complexes By Electrospray Mass Spectrometry And Collision-Induced Dissociation., Alexander I M Sever, Victor Yin, Lars Konermann

Chemistry Publications

Various activation methods are available for the fragmentation of gaseous protein complexes produced by electrospray ionization (ESI). Such experiments can potentially yield insights into quaternary structure. Collision-induced dissociation (CID) is the most widely used fragmentation technique. Unfortunately, CID of protein complexes is dominated by the ejection of highly charged monomers, a process that does not yield any structural insights. Using hemoglobin (Hb) as a model system, this work examines under what conditions CID generates structurally informative subcomplexes. Native ESI mainly produced tetrameric Hb ions. In addition, "noncanonical" hexameric and octameric complexes were observed. CID of all these species [(αβ)_{2 …}