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Articles 1 - 30 of 64
Full-Text Articles in Other Chemistry
Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra
Feasibility Studies For Use Of Copper Slag In Clinker Manufacture, Suresh Vanguri, Suresh Palla, Gonthi Prasad, Sanjeev Kumar Chaturvedi, Bibekananda Mohapatra
Makara Journal of Science
This study investigated the feasibility of using copper slag (CS-C) as a raw material in the production of Portland cement (PC). The effect of addition of 0%-3.5% CS-C on the clinkerization process, mineralogy, microstructure, and compressive strength development was studied. The Presence of CS-C in the raw mix resulted in the reduced temperature of clinkerization by about 50 °C. The quality of clinker prepared from the raw mix containing 3% CS-C and burned at 1400 °C was comparable to that of clinker prepared from the raw mix containing no CS-C and burned at 1450 °C. Gradual polymorphic modification of alite …
Multiomics Approach Captures Hepatic Metabolic Network Altered By Chronic Ethanol Administration, Isin Tuna Sakallioglu, Bridget Tripp, Jacy Kubik, Carol A. Casey, Paul G. Thomes, Robert Powers
Multiomics Approach Captures Hepatic Metabolic Network Altered By Chronic Ethanol Administration, Isin Tuna Sakallioglu, Bridget Tripp, Jacy Kubik, Carol A. Casey, Paul G. Thomes, Robert Powers
Department of Chemistry: Faculty Publications
Using a multiplatform and multiomics approach, we identified metabolites, lipids, proteins, and metabolic pathways that were altered in the liver after chronic ethanol administration. A functional enrichment analysis of the multiomics dataset revealed that rats treated with ethanol experienced an increase in hepatic fatty acyl content, which is consistent with an initial development of steatosis. The nuclear magnetic resonance spectroscopy (NMR) and liquid chromatography–mass spectrometry (LC-MS) metabolomics data revealed that the chronic ethanol exposure selectively modified toxic substances such as an increase in glucuronidation tyramine and benzoyl; and a depletion in cholesterol-conjugated glucuronides. Similarly, the lipidomics results revealed that ethanol …
Arginine Methylation Of The Pgc-1Α C‑Terminus Is Temperature- Dependent, Meryl Mendoz, Mariel Mendoza, Tiffany Lubrino, Sidney Briski, Immaculeta Osuji, Janielle Cuala, Brendan Ly, Ivan Ocegueda, Harvey Peralta, Benjamin A. Garcia, Cecilia Zurita-Lopez
Arginine Methylation Of The Pgc-1Α C‑Terminus Is Temperature- Dependent, Meryl Mendoz, Mariel Mendoza, Tiffany Lubrino, Sidney Briski, Immaculeta Osuji, Janielle Cuala, Brendan Ly, Ivan Ocegueda, Harvey Peralta, Benjamin A. Garcia, Cecilia Zurita-Lopez
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We set out to determine whether the C-terminus (amino acids 481–798) of peroxisome proliferator-activated receptor gamma coactivator-1 alpha (PGC-1α, UniProt Q9UBK2), a regulatory metabolic protein involved in mitochondrial biogenesis, and respiration, is an arginine methyltransferase substrate. Arginine methylation by protein arginine methyltransferases (PRMTs) alters protein function and thus contributes to various cellular processes. In addition to confirming methylation of the C-terminus by PRMT1 as described in the literature, we have identified methylation by another member of the PRMT family, PRMT7. We performed in vitro methylation reactions using recombinant mammalian PRMT7 and PRMT1 at 37, 30, 21, 18, and 4 °C. …
Uv-Light-Tunable P-/N-Type Chemiresistive Gas Sensors Based On Quasi-1d Tis3 Nanoribbons: Detection Of Isopropanol At Ppm Concentrations, Victor V. Sysoev, Andrey V. Lashkov, Alexey Lipatov, Ilya A. Plugin, Michael Bruns, Dirk Fuchs, Alexey S. Varezhnikov, Mustahsin Adib, Martin Sommer, Alexander Sinitskii
Uv-Light-Tunable P-/N-Type Chemiresistive Gas Sensors Based On Quasi-1d Tis3 Nanoribbons: Detection Of Isopropanol At Ppm Concentrations, Victor V. Sysoev, Andrey V. Lashkov, Alexey Lipatov, Ilya A. Plugin, Michael Bruns, Dirk Fuchs, Alexey S. Varezhnikov, Mustahsin Adib, Martin Sommer, Alexander Sinitskii
Department of Chemistry: Faculty Publications
The growing demand of society for gas sensors for energy-efficient environmental sensing stimulates studies of new electronic materials. Here, we investigated quasi-one-dimensional titanium trisulfide (TiS3) crystals for possible applications in chemiresistors and on-chip multisensor arrays. TiS3 nanoribbons were placed as a mat over a multielectrode chip to form an array of chemiresistive gas sensors. These sensors were exposed to isopropanol as a model analyte, which was mixed with air at low concentrations of 1–100 ppm that are below the Occupational Safety and Health Administration (OSHA) permissible exposure limit. The tests were performed at room temperature (RT), as …
Pyridine Modifications Regulate The Electronics And Reactivity Of Fe–Pyridinophane Complexes, Magy A. Mekhail, Kristof Pota, Sugam Kharel, David M. Freire, Kayla N. Green
Pyridine Modifications Regulate The Electronics And Reactivity Of Fe–Pyridinophane Complexes, Magy A. Mekhail, Kristof Pota, Sugam Kharel, David M. Freire, Kayla N. Green
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
12-Membered pyridinophanes are the focus of many studies as biological mimics, chelators, and catalytic precursors. Therefore, the desire to tune the reactivity of pyridinophanes to better control the applications of derivative metal complexes has inspired many structure–activity relationship studies. However, the separation of structural versus electronic changes imparted by ligand modification has made these structure–activity relationship studies of transition metal catalysts challenging to define. In this work we show that 4-substitution of the pyridine ring in 12-membered tetra-aza pyridinophanes successfully provides a regulatory handle on the electronic properties of the metal center and, therefore, the catalytic C–C coupling activity of …
Investigations Of Prokaryotic Defense Systems, Hannah Domgaard
Investigations Of Prokaryotic Defense Systems, Hannah Domgaard
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
Bacteria are constantly threatened with infection by mobile genetic elements (MGE) such as bacteriophage and plasmids. Bacteriophage and plasmids require the bacteria's cellular infrastructure to replicate their genomes. Rampant replication can lead to cell death which is one reason why bacteria have developed a diverse array of immune systems to prevent or limit infection. This thesis studies three types of bacterial immune systems, type IV-A CRISPR-Cas (Clustered Regularly Interspaced Short Palindromic Repeat –CRISPR associated), type V-A2 CRISPR-Cas systems, and Wadjet systems.
The type IV-A system lies adjacent to a dinG-like helicase gene. Research has shown that this system can target …
Threonine Phosphorylation Of An Electrochemical Peptide-Based Sensor To Achieve Improved Uranyl Ion Binding Affinity, Channing C. Thompson, Rebecca Lai
Threonine Phosphorylation Of An Electrochemical Peptide-Based Sensor To Achieve Improved Uranyl Ion Binding Affinity, Channing C. Thompson, Rebecca Lai
Department of Chemistry: Faculty Publications
We have successfully designed a uranyl ion (U(VI)-specific peptide and used it in the fabrication of an electrochemical sensor. The 12-amino acid peptide sequence, (n) DKDGDGYIpTAAE (c), originates from calmodulin, a Ca(II)-binding protein, and contains a phosphothreonine that enhances the sequence’s affinity for U(VI) over Ca(II). The sensing mechanism of this U(VI) sensor is similar to other electrochemical peptide-based sensors, which relies on the change in the flexibility of the peptide probe upon interacting with the target. The sensor was systematically characterized using alternating current voltammetry (ACV) and cyclic voltammetry. Its limit of detection was 50 nM, which is lower …
Fine Tuning The Pore Surface In Zirconium Metal−Organic Frameworks For Selective Ethane/Ethylene Separation, Yuchen Hu, Yanshu Shi, Yi Xie, Rebecca Shu Hui Khoo, Christian Fiankor, Xu Zhang,, Banglin Chen, Jian Zhang
Fine Tuning The Pore Surface In Zirconium Metal−Organic Frameworks For Selective Ethane/Ethylene Separation, Yuchen Hu, Yanshu Shi, Yi Xie, Rebecca Shu Hui Khoo, Christian Fiankor, Xu Zhang,, Banglin Chen, Jian Zhang
Department of Chemistry: Faculty Publications
Ethylene is an important chemical feedstock for production of polymers and high-value organic chemicals, and yet its conventional purification process is plagued with high consumption of energy. Metal−organic frameworks (MOFs) provide a suitable adsorption platform for selective ethane/ ethylene separation thanks to their structural diversity, tunable pore characteristics, designable pore sizes, and high pore volumes. Although there are empirical design rules like avoiding open metal sites and creating nonpolar pore surfaces for development of adsorptive MOFs, it is still challenging to design robust MOFs that can realize direct ethane-selective separation. Herein, we systematically designed and synthesized three Zr-MOFs based on …
Leveraging The Structure Of Dnaja1 To Discover Novel Potential Pancreatic Cancer Therapies, Heidi E. Roth, Aline De Lima Leite, Nicolas Y. Palermo, Robert Powers
Leveraging The Structure Of Dnaja1 To Discover Novel Potential Pancreatic Cancer Therapies, Heidi E. Roth, Aline De Lima Leite, Nicolas Y. Palermo, Robert Powers
Department of Chemistry: Faculty Publications
Pancreatic cancer remains one of the deadliest forms of cancer with a 5-year survival rate of only 11%. Difficult diagnosis and limited treatment options are the major causes of the poor outcome for pancreatic cancer. The human protein DNAJA1 has been proposed as a potential therapeutic target for pancreatic cancer, but its cellular and biological functions remain unclear. Previous studies have suggested that DNAJA10s cellular activity may be dependent upon its protein binding partners. To further investigate this assertion, the first 107 amino acid structures of DNAJA1 were solved by NMR, which includes the classical J-domain and its associated linker …
Symmetry-Resolved Co Desorption And Oxidation Dynamics On O/Ru(0001) Probed At The C K-Edge By Ultrafast X-Ray Spectroscopy, Jerry Larue, Boyang Liu, Gabriel L. S. Rodrigues, Chang Liu, Jose Antonio Garrido Torres, Simon Schreck, Elias Diesen, Matthew Weston, Hirohito Ogasawara, Fivos Perakis, Martina Dell'angela, Flavio Capotondi, Devon Ball, Conner Carnahan, Gary Zeri, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Peter Amann, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Johannes Voss, Hsin-Yi Wang, Filippo Cavalca, Jörgen Gladh, Sergey Koroidov, Frank Abild-Pedersen, Manuel Kolb, Piter S. Miedema, Roberto Costantini, Tony F. Heinz, Alan C. Luntz, Lars G. M. Pettersson, Anders Nilsson
Symmetry-Resolved Co Desorption And Oxidation Dynamics On O/Ru(0001) Probed At The C K-Edge By Ultrafast X-Ray Spectroscopy, Jerry Larue, Boyang Liu, Gabriel L. S. Rodrigues, Chang Liu, Jose Antonio Garrido Torres, Simon Schreck, Elias Diesen, Matthew Weston, Hirohito Ogasawara, Fivos Perakis, Martina Dell'angela, Flavio Capotondi, Devon Ball, Conner Carnahan, Gary Zeri, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Peter Amann, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Johannes Voss, Hsin-Yi Wang, Filippo Cavalca, Jörgen Gladh, Sergey Koroidov, Frank Abild-Pedersen, Manuel Kolb, Piter S. Miedema, Roberto Costantini, Tony F. Heinz, Alan C. Luntz, Lars G. M. Pettersson, Anders Nilsson
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We report on carbon monoxide desorption and oxidation induced by 400 nm femtosecond laser excitation on the O/Ru(0001) surface probed by time-resolved x-ray absorption spectroscopy (TR-XAS) at the carbon K-edge. The experiments were performed under constant background pressures of CO (6 × 10−8 Torr) and O2 (3 × 10−8 Torr). Under these conditions, we detect two transient CO species with narrow 2π* peaks, suggesting little 2π* interaction with the surface. Based on polarization measurements, we find that these two species have opposing orientations: (1) CO favoring a more perpendicular orientation and (2) CO favoring a more parallel orientation …
Ai Protein Structure Prediction-Based Modeling And Mutagenesis Of A Protostome Receptor And Peptide Ligands Reveal Key Residues For Their Interaction, Shi-Qi Guo, Ya-Dong Li, Ping Chen, Guo Zhang, Hui-Ying Wang, Hui-Min Jiang, Wei-Jia Liu, Ju-Ping Xu, Xue-Ying Ding, Ping Fu, Ke Yu, Hai-Bo Zhou, James W. Checco, Jian Jing
Ai Protein Structure Prediction-Based Modeling And Mutagenesis Of A Protostome Receptor And Peptide Ligands Reveal Key Residues For Their Interaction, Shi-Qi Guo, Ya-Dong Li, Ping Chen, Guo Zhang, Hui-Ying Wang, Hui-Min Jiang, Wei-Jia Liu, Ju-Ping Xu, Xue-Ying Ding, Ping Fu, Ke Yu, Hai-Bo Zhou, James W. Checco, Jian Jing
Department of Chemistry: Faculty Publications
The protostome leucokinin (LK) signaling system, including LK peptides and their G protein-coupled receptors, has been characterized in several species. Despite the progress, molecular mechanisms governing LK peptide–receptor interactions remain to be elucidated. Previously, we identified a precursor protein for Aplysia leucokinin-like peptides (ALKs) that contains the greatest number of amidated peptides among LK precursors in all species identified so far. Here, we identified the first ALK receptor from Aplysia, ALKR. We used cell-based IP1 activation assays to demonstrate that two ALK peptides with the most copies, ALK1 and ALK2, activated ALKR with high potencies. Other endogenous ALK-derived peptides …
Meta-Analysis Reveals Both The Promises And The Challenges Of Clinical Metabolomics, Heidi E. Roth, Robert Powers
Meta-Analysis Reveals Both The Promises And The Challenges Of Clinical Metabolomics, Heidi E. Roth, Robert Powers
Department of Chemistry: Faculty Publications
Clinical metabolomics is a rapidly expanding field focused on identifying molecular biomarkers to aid in the efficient diagnosis and treatment of human diseases. Variations in study design, metabolomics methodologies, and investigator protocols raise serious concerns about the accuracy and reproducibility of these potential biomarkers. The explosive growth of the field has led to the recent availability of numerous replicate clinical studies, which permits an evaluation of the consistency of biomarkers identified across multiple metabolomics projects. Pancreatic ductal adenocarcinoma (PDAC) is the third-leading cause of cancer-related death and has the lowest five-year survival rate primarily due to the lack of an …
Success And Confidence In, Or Inclusive Of, Undergraduate Chemistry Students Surrounding A Collaborative Learning Intervention, Encouragement Of Metacognition, And A Multifaceted Scholarship Support Program, Maggie Erin Leake
Theses and Dissertations
Student success in chemistry has been linked to a wide range of factors. Some of these factors are familiar, easily quantified measures; colleges typically rely on factors like high school GPA and measures of aptitude to make admission decisions or set course prerequisites. Success in chemistry courses can be linked to these measures, and math aptitude scores in particular are often used as prerequisites for introductory chemistry courses. However, success in chemistry can also be affected by factors like motivation, peer interactions, sense of belonging, and metacognitive skill. Additionally, outcomes in chemistry and other STEM courses like math and physics …
Editorial: Expansion Of The Genetic Code: Unnatural Amino Acids And Their Applications, Subhendu Sekhar Bag, Ishu Saraogi, Jiantao Guo
Editorial: Expansion Of The Genetic Code: Unnatural Amino Acids And Their Applications, Subhendu Sekhar Bag, Ishu Saraogi, Jiantao Guo
Department of Chemistry: Faculty Publications
No abstract provided.
Nmr And Metabolomics—A Roadmap For The Future, David S. Wishart, Leo L. Cheng, Valérie Copié, Arthur S. Edison, Hamid R. Eghbalnia, Jeffrey C. Hoch, Goncalo J. Gouveia, Wimal Pathmasiri, Robert Powers, Tracey B. Schock, Lloyd W. Sumner, Mario Uchimiya
Nmr And Metabolomics—A Roadmap For The Future, David S. Wishart, Leo L. Cheng, Valérie Copié, Arthur S. Edison, Hamid R. Eghbalnia, Jeffrey C. Hoch, Goncalo J. Gouveia, Wimal Pathmasiri, Robert Powers, Tracey B. Schock, Lloyd W. Sumner, Mario Uchimiya
Department of Chemistry: Faculty Publications
Metabolomics investigates global metabolic alterations associated with chemical, biological, physiological, or pathological processes. These metabolic changes are measured with various analytical platforms including liquid chromatography-mass spectrometry (LC-MS), gas chromatographymass spectrometry (GC-MS) and nuclear magnetic resonance spectroscopy (NMR). While LC-MS methods are becoming increasingly popular in the field of metabolomics (accounting for more than 70% of published metabolomics studies to date), there are considerable benefits and advantages to NMR-based methods for metabolomic studies. In fact, according to PubMed, more than 926 papers on NMR-based metabolomics were published in 2021—the most ever published in a given year. This suggests that NMR-based metabolomics …
Negative Photoresponse In Ti3C2TX Mxene Monolayers, Nataliia S. Vorobeva, Saman Bagheri, Angel Torres, Alexander Sinitskii
Negative Photoresponse In Ti3C2TX Mxene Monolayers, Nataliia S. Vorobeva, Saman Bagheri, Angel Torres, Alexander Sinitskii
Department of Chemistry: Faculty Publications
Two-dimensional transition metal carbides, nitrides, and carbonitrides, collectively known as MXenes, are finding numerous applications in many different areas, including optoelectronics and photonics, but there is limited information about their intrinsic photoresponse. In this study, we investigated the visible and near-infrared range photoresponse of Ti3C2Tx, the most popular MXene material to date. The electrical measurements were performed on devices based on individual monolayer Ti3C2Tx MXene flakes, which were characterized by a variety of microscopic and spectroscopic methods. For MXene devices with different electrode layouts, the current reproducibly decreased under …
Characterization Of Three-Dimensional Fractional Viscoelastic Models Through Complex Modulus Analysis And Polar Decomposition, Avradip Ghosh, Avinash Kumar Both, Chin Li Cheung
Characterization Of Three-Dimensional Fractional Viscoelastic Models Through Complex Modulus Analysis And Polar Decomposition, Avradip Ghosh, Avinash Kumar Both, Chin Li Cheung
Department of Chemistry: Faculty Publications
Soft materials such as gels, elastomers, and biological tissues have diverse applications in nature and technology due to their viscoelastic nature. These soft materials often exhibit complex rheology and display elastic and viscous characteristics when undergoing deformation. In recent years, fractional calculus has emerged as a promising tool to explain the viscoelastic behavior of soft materials. Scalar constants are primarily used to quantify viscoelastic elements such as springs and dashpots. However, in three-dimensional (3D) space, not all materials show the same elastic or viscoelastic properties in all directions, especially under elastic/viscoelastic wave propagation (or anisotropy). Though previously reported studies on …
Integrating Conformational Dynamics And Perturbation-Based Network Modeling For Mutational Profiling Of Binding And Allostery In The Sars-Cov-2 Spike Variant Complexes With Antibodies: Balancing Local And Global Determinants Of Mutational Escape Mechanisms, Gennady M. Verkhivker, Steve Agajanian, Ryan Kassab, Keerthi Krishnan
Integrating Conformational Dynamics And Perturbation-Based Network Modeling For Mutational Profiling Of Binding And Allostery In The Sars-Cov-2 Spike Variant Complexes With Antibodies: Balancing Local And Global Determinants Of Mutational Escape Mechanisms, Gennady M. Verkhivker, Steve Agajanian, Ryan Kassab, Keerthi Krishnan
Mathematics, Physics, and Computer Science Faculty Articles and Research
n this study, we combined all-atom MD simulations, the ensemble-based mutational scanning of protein stability and binding, and perturbation-based network profiling of allosteric interactions in the SARS-CoV-2 spike complexes with a panel of cross-reactive and ultra-potent single antibodies (B1-182.1 and A23-58.1) as well as antibody combinations (A19-61.1/B1-182.1 and A19-46.1/B1-182.1). Using this approach, we quantify the local and global effects of mutations in the complexes, identify protein stability centers, characterize binding energy hotspots, and predict the allosteric control points of long-range interactions and communications. Conformational dynamics and distance fluctuation analysis revealed the antibody-specific signatures of protein stability and flexibility of the …
Multiplexed Monitoring Of Neurochemicals Via Electrografting- Enabled Site-Selective Functionalization Of Aptamers On Field-Effect Transistors, Zan Gao, Guangfu Wu, Yang Song, Huijie Li, Yuxuan Zhang, Michael J. Schneider, Yingqi Qiang, Jackson Kaszas, Zhengyan Weng, He Sun, Bryan D. Huey, Rebecca Lai, Yi Zhang
Multiplexed Monitoring Of Neurochemicals Via Electrografting- Enabled Site-Selective Functionalization Of Aptamers On Field-Effect Transistors, Zan Gao, Guangfu Wu, Yang Song, Huijie Li, Yuxuan Zhang, Michael J. Schneider, Yingqi Qiang, Jackson Kaszas, Zhengyan Weng, He Sun, Bryan D. Huey, Rebecca Lai, Yi Zhang
Department of Chemistry: Faculty Publications
Neurochemical corelease has received much attention in understanding brain activity and cognition. Despite many attempts, the multiplexed monitoring of coreleased neurochemicals with spatiotemporal precision and minimal crosstalk using existing methods remains challenging. Here, we report a soft neural probe for multiplexed neurochemical monitoring via the electrografting-assisted site-selective functionalization of aptamers on graphene field-effect transistors (G-FETs). The neural probes possess excellent flexibility, ultralight mass (28 mg), and a nearly cellular-scale dimension of 50 μm × 50 μm for each G-FET. As a demonstration, we show that G-FETs with electrochemically grafted molecular linkers (−COOH or −NH2) and specific aptamers can be used …
A Protein-Based Therapeutic Combination For The Treatment Of Hard-To-Heal Wounds, Graham L. Strauss
A Protein-Based Therapeutic Combination For The Treatment Of Hard-To-Heal Wounds, Graham L. Strauss
USF Tampa Graduate Theses and Dissertations
Chronic wounds present many clinical challenges in relation to the successful treatment and closure of the damaged tissue. Most current treatment methods focused on one or two aspects to drive wound closure, while most chronic wounds are multifactorial environments with many of those dependencies relying on the termination of one another to effectively gain tissue construction, closure, and full skin thickness and composition. Natural wound healing processes allude to potential biologics that can impede the chronic breakdown of tissue, while restoring deposition of new tissue, and effectively leading to a healed wound. Proteases secreted by the body’s immune system lay …
Asymmetrical Spectral Continuum Between Anti-Stokes And Stokes Scattering Revealed In Low-Frequency Surface-Enhanced Raman Spectroscopy, Shuo Sun, Dhanusha T.N. Rathnayake, Yinsheng Guo
Asymmetrical Spectral Continuum Between Anti-Stokes And Stokes Scattering Revealed In Low-Frequency Surface-Enhanced Raman Spectroscopy, Shuo Sun, Dhanusha T.N. Rathnayake, Yinsheng Guo
Department of Chemistry: Faculty Publications
An asymmetrical spectral continuum is observed in low-frequency surface-enhanced Raman spectroscopy (LF-SERS) in the terahertz (THz) region. This background continuum appears as a flat baseline in the Stokes side and a slope in the anti-Stokes side. Analysis shows this asymmetry originates from the different scaling of anti-Stokes and Stokes scattering with respect to the Bose−Einstein distribution. Such asymmetry is readily visible, under room temperature, in the low-frequency THz spectral range. Accounting for this spectral intensity asymmetry reveals the intrinsic continuum background of electronic origin, differing from local normal modes and collective relaxational motions. We also describe a numerical method, independent …
Improved Performance Of Silica-Supported La0.5Ba0.5Feo3 In The Reverse Water Gas Shift - Chemical Looping Process For Carbon Dioxide Reduction – A Density Functional Theory Study, Jiawei Guo
USF Tampa Graduate Theses and Dissertations
Global warming is increasingly obvious, and the reduction of greenhouse gases is an effective way to heal. Increasing the efficiency of catalysts that is applied in the industry can significantly reduce the emission of greenhouse gases. Reverse water gas shift chemical looping (RWGS-CL) is a promising reaction to convert CO2 to CO. La0.5Ba0.5FeO3 (LBF) is a good candidate for RWGS-CL, which shows increased conversion yield when supported on silica. This research focuses on identifying the mechanism of RWGS-CL via silica-supported LBF by exploring the oxygen vacancy formation energy (EO-vac). Density Functional Theory (DFT) is a powerful computational method to solve …
Calcium Bistriflimide-Mediated Sulfur(Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, Nicholas D. Ball, O. Maduka Ogba
Calcium Bistriflimide-Mediated Sulfur(Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, Nicholas D. Ball, O. Maduka Ogba
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We report a mechanistic investigation of calcium bistriflimide-mediated sulfur(VI)–fluoride exchange (SuFEx) between sulfonyl fluorides and amines. We determine the likely pre-activation resting state─a calcium bistriflimide complex with ligated amines─thus allowing for corroborated calculation of the SuFEx activation barrier at ∼21 kcal/mol, compared to 21.5 ± 0.14 kcal/mol derived via kinetics experiments. Transition state analysis revealed: (1) a two-point calcium-substrate contact that activates the sulfur(VI) center and stabilizes the leaving fluoride and (2) a 1,4-diazabicyclo[2.2.2]octane additive that provides Brønsted-base activation of the nucleophilic amine. Stable Ca–F complexes upon sulfonamide formation are likely contributors to inhibited catalytic turnover, and a proof-of-principle redesign …
Noncanonical Amino Acid Mutagenesis In Response To Recoding Signal-Enhanced Quadruplet Codons, Yan Chen, Xinyuan He, University Of Nebraska-Lincoln, Kun Liu, Tian Gao, Wei Niu, Jiantao Guo
Noncanonical Amino Acid Mutagenesis In Response To Recoding Signal-Enhanced Quadruplet Codons, Yan Chen, Xinyuan He, University Of Nebraska-Lincoln, Kun Liu, Tian Gao, Wei Niu, Jiantao Guo
Department of Chemistry: Faculty Publications
While amber suppression is the most common approach to introduce noncanonical amino acids into proteins in live cells, quadruplet codon decoding has potential to enable a greatly expanded genetic code with up to 256 new codons for protein biosynthesis. Since triplet codons are the predominant form of genetic code in nature, quadruplet codon decoding often displays limited efficiency. In this work, we exploited a new approach to significantly improve quadruplet UAGN and AGGN (N = A, U, G, C) codon decoding efficiency by using recoding signals imbedded in mRNA. With representative recoding signals, the expression level of mutant proteins containing …
Advanced Cnc/Peg/Pdmaa Semi-Ipn Hydrogel For Drug Delivery Management In Wound Healing, Samia Afrin, Md. Shahruzzaman, Papia Haque, Md. Sazedul Islam, Shafiul Hossain, Taslim Ur Rashid, Tanvir Ahmed, Makoto Takafuji, Mohammed Mizanur Rahman
Advanced Cnc/Peg/Pdmaa Semi-Ipn Hydrogel For Drug Delivery Management In Wound Healing, Samia Afrin, Md. Shahruzzaman, Papia Haque, Md. Sazedul Islam, Shafiul Hossain, Taslim Ur Rashid, Tanvir Ahmed, Makoto Takafuji, Mohammed Mizanur Rahman
Department of Chemistry: Faculty Publications
A Semi Interpenetrating Polymer Network (semi-IPN) hydrogel was prepared and loaded with an antibiotic drug, gentamicin, to investigate the wound healing activity of this system. The semi-IPN hydrogel was synthesized by combining natural polymer cellulose nanocrystal (CNC) and synthetic polymer polyethylene glycol (PEG) and poly (N,N0-dimethyl acrylamide) (PDMAA), which was initially added as a monomer dimethyl acrylamide (DMAA). CNC was prepared from locally obtained jute fibers, dispersed in a PEG-NaOH solvent systemand then mixed with monomer DMAA, where polymerization was initiated by an initiator potassium persulphate (KPS) and cross-linked by N,N0-methylenebisacrylamide (NMBA). The size, morphology, biocompatibility, antimicrobial activity, thermal and …
Understanding The Effects Of Temperature On Electrostatic Dna Denaturation, Jeffrey Taylor
Understanding The Effects Of Temperature On Electrostatic Dna Denaturation, Jeffrey Taylor
Master's Theses
In this work, the electrostatic denaturation of 18-bp DNA duplexes was investigated via Square Wave Voltammetry (SWV) to determine the extent of melting (∆) and rate of melting (𝝉). Electrostatic denaturation was observed over the temperature range of 20-50 °C, and purely electrostatic melting was defined from 27.5°C. In contrast, electrostatic denaturation for 30 °C was defined as a mixture of thermal melting thiol desorption + electrostatic melting. Electrostatic denaturation is a temperature-dependent process, and the amount of melting of the dsDNA increased with temperature. It was also observed that the ∆ and 𝝉 values increase with temperature further …
Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen
Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen
Electronic Theses and Dissertations
This work encompasses three individual projects concerning biomaterials and their modifications. Chemically-Induced Cross-Linking of Peptidic Fibrils for Scaffolding Polymeric Particles and Macrophages EAK16-II (EAK) is a self-assembling peptide (SAP) that forms β-sheets and βfibrils through ionic-complementary interactions at physiological ionic strengths. The soft materials can be injected in vivo, creating depots of drugs and cells for rendering pharmacological and biological actions. The scope of the applications of EAK is sought to extend to tissues through which the flow of extracellular fluid tends to be limited. In such anatomical locales the rate and extent of the fibrilization are limited insofar as …
Long-Term Trends And Variability Of Pm₂.₅ Mass, Chemical Components, And Sources Over Nys, Hesham Abdelmonem Hassan
Long-Term Trends And Variability Of Pm₂.₅ Mass, Chemical Components, And Sources Over Nys, Hesham Abdelmonem Hassan
Legacy Theses & Dissertations (2009 - 2024)
Eighteen years of ambient PM2.5 mass and major components are used in this study to harmonize the carbonaceous fraction of PM2.5 data, and to examine long-term trends and seasonal variability changes. The major decreasing trend of PM2.5 mass and major inorganic ions reflects the ambient concentration response to clean air regulations and policies.Although elemental carbon shows a decreasing trend in agreement with most other PM2.5 components, organic carbon shows a different behavior of no-trend to slightly increasing trend in some sites. Organic carbon behavior indicates the growing role of non-combustion sources at the expense of decreasing combustion sources. Seasonal trends …
Synthesis Of Inorganic-Organic Perovskite Hybrid Materials Via A Microwave Assisted Method, Anamika Poduval
Synthesis Of Inorganic-Organic Perovskite Hybrid Materials Via A Microwave Assisted Method, Anamika Poduval
LSU New Orleans Theses and Dissertations
The research presented here focusses on fabrication of organic modified inorganic two-dimensional and three-dimensional materials via microwave assisted methods. These hybrid materials are of importance due to their capacity to incorporate the characteristics of both organic and inorganic components. Microwave methods have been utilized to expedite the topochemical modification of layered perovskites. In one set of studies, microwave assisted grafting reactions were performed on layered perovskite (HLaNb2O7) materials with a series of hydroxy carboxylic acids. The reactivities of these organic compounds with the layered perovskites and the influence of precursor, temperature and time are demonstrated. The …
Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez
Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez
Chemical Engineering Undergraduate Honors Theses
Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.
In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The …