Chemistry Commons^™

Ultrasound-Assisted Synthesis Of Rgo/Sio2-Based Nanosheets And Their Electrochemical Performances In Li-Ion Batteries, Ersu Lökçü, Süleyman Can, Mustafa Anik

Turkish Journal of Chemistry

In this study, a facile approach has been developed to fabricate GO/SiO2 nanosheets by the hydrolysis of tetraethyl orthosilicate (TEOS) in the graphene oxide (GO) solution with the assistance of the ultrasonication. The morphology and structure of the SiO2/GO nanosheets were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Raman spectroscopy. The results showed that the covalently bonded SiO2 nanoparticles onto the GO sheets were dense and uniform. The agglomeration of the nanosheets was prevented by the ultrasonication and the layer sizes decreased throughout the synthesis process. The size and thickness of the SiO2 …

Carbon Nanotube/Waterborne Polyurethane Nanocomposites With Light-To-Heat Conversion Properties, Hayri̇ye Ünal

Turkish Journal of Chemistry

Photothermal materials and coatings which can create temperature elevations under light irradiation can be utilized in various applications requiring remote heating. Here, multiwalled carbon nanotubes (MWNT) were incorporated into waterborne polyurethane (PU) to obtain photothermal coatings with light-to-heat conversion properties. Resulting PU-MWNT coatings were demonstrated to heat up to 80 °C under sunlight irradiation at 2 sunlight density for 18 min. Pseudomonas aeruginosa (P. aeruginosa) cells attached to surfaces coated with PU-MWNT nanocomposites were killed upon near infrared (NIR) light irradiation at 808 nm for 15 min, whereas the same cells attached to control neat PU-coated surfaces remained alive under …

Ultraviolet-Activated Clamshell Hydroxyapatite-Substituted Palladium In The Photoreduction Of Methyl Orange Water Pollutant, Anis Liyana Azhar, Azman Ma'amor, Nurhidayatullaili Muhd Julkapli, Nor Asrina Sairi, Aina Sofea Noraizat

Turkish Journal of Chemistry

This study focuses on the modification of natural hydroxyapatite (HAp) derived from clamshell by impregnation with palladium (Pd) at different pH in wet precipitation method to produce photoactive green materials for the degradation of synthetic dyes. It was found that, at pH 10, Pd has been successfully impregnated into HAp lattice with Ca/P ratio of 1.77 and particle distribution size range of 40?470 nm. The impregnation has resulted in the band gap of Pd/HAp at 3.19 eV, as calculated using Tauc?s plot from the UV-Vis spectroscopy data of the Pd/HAp. Next, the photocatalytic activities of Pd/HAp were carried out with …

Imaging Supermolecular Interactions Of The Pharmaceutical- Cocrystal Of Apigeninnicotinamide Binding With Serum Albumin, Yuting Sun, Ming Guo, Xiaoxue Zhao, Ronghui Wu

Turkish Journal of Chemistry

In this paper, a new pharmaceutical cocrystal was synthesized using apigenin (AP) and pharmaceutically acceptable conformer nicotinamide (Nico), and the drug delivery between AP-Nico pharmaceutical cocrystal and human serum albumin (HSA) in vivo was studied at atomic scale. The pharmaceutical cocrystal was characterized using Fourier-transform infrared (FTIR) spectroscopy, 1H NMR spectroscopy, differential scanning calorimetry (DSC), and powder X-ray diffraction (PXRD), and the self-assembling mechanism was explored. The dissolution and cumulative release in vitro were investigated. Molecular dynamic (MD) simulation combined with fluorescence spectroscopy was used to study the delivery mechanism of AP-Nico to HSA. The results showed that AP was …

Facile Preparation Of Polyolefin-Based Amphiphilic Graft Copolymer Fibers By Combination Of Photoinduced Graft Copolymerization And Electrospinning, Çağatay Altinkök

Turkish Journal of Chemistry

A novel amphiphilic graft copolymer possessing polypropylene (PP) main chain and poly(oligoethylene glycol methacrylate) (POEGMA) pendant units was synthesized starting from chlorinated polypropylene (PP-Cl), and characterized. PP-Cl produced macroradicals at chlorine bounded carbon atoms by visible light irradiation in the presence of dimanganese decacarbonyl [Mn2(CO)10] and initiated the free-radical photopolymerization of an acrylate monomer, namely oligoethylene glycol methacrylate (OEGMA). Furthermore, fiber formation ability of PP-g-POEGMA was tested by electrospinning technique. The chemical structure and some features of the corresponding amphiphilic graft copolymer PP-g-POEGMA was characterized by implementing spectral (FT-IR, 1H-NMR), chromatographic (GPC), morphological (SEM), water wettability (WCA), and thermal (TGA) …

Hydrophobic Surface Modification And Characterization Of Melamine Foam, Merve Okutan, Fi̇li̇z Boran, Ayça Ergün, Yusuf Kanca, Bengi̇ Özkahraman, Hüseyi̇n Deli̇göz

Turkish Journal of Chemistry

Superhydrophobic and oleophilic modification of commercial acoustic melamine foam (MF) was made in this study. The modification was carried out with chitosan (CHI) and silica particles (SiO2), by using both a layer-by-layer-like approach (LbL) and dip coating technique. Subsequently, 1-octadecanethiol was used as a secondary modification agent. QCM-D, SEM, and FTIR analyses confirmed that the coating was successfully performed. After the modification, the column wall thicknesses increased than that of MF and they ranged from 25% to 48% for modified MF with an LbL-like approach (MMF) and modified MF via dip coating technique (MMFd), respectively. The sorption experiments showed that …

Spectrophotometric Quantification Of Paracetamol And Tramadol Hydrochloride By Chemometric Calibration Methods, Faysal Seli̇moğlu, Nermi̇n Pinarcik

Turkish Journal of Chemistry

The results of UV spectrophotometric analysis were analysed using partial least squares (PLS) and principal component regression (PCR) techniques to allow simultaneous evaluation of tramadol hydrochloride (TRA) and p-acetaminophen (PAR) in tablets. A calibration set of 16 mixtures, each containing PAR and TRA in various amounts, was created using a 24-full fractional design. The absorbance data set for the calibration set were obtained between 215?280 nm (?? = 0.1 nm). Subsequently, the concentration and absorbance sets were used to generate PCR and PLS calibrations. The ratio spectra- first derivative method was devised as a solution to the same problem to …

Paek- And Pes-Like Perarylated Phosphonium Ionenes: Synthesis, Thermal Properties, And Conductivity, Samantha Sims

Murray State Theses and Dissertations

Ionic liquids (ILs) are useful for many applications due to the tunability of their characteristic properties making these salts ideal for many applications. To further increase possible areas of application for these materials, some ILs can be incorporated into polymer structures to form poly ionic liquids (PILs) or ionenes. The specific ions used within the material will determine the thermal, mechanical, and chemical stability properties exhibited by the polymer. Adjustments can be made to the ion structures during the synthetic process to influence these observed properties.

Fuel cells, batteries, solar cells, and capacitors, all require materials that can withstand high …

Development And Biological Evaluation Of Selective Small-Molecule Inhibitors Of The Human Cytochrome P450 1b1, Austin Hachey

Theses and Dissertations--Chemistry

The human cytochrome P450 1B1 (CYP1B1) is an emerging target for small- molecule therapeutics. Several solid tumors overexpress CYP1B1 to the degree that it has been referred to as a universal tumor antigen. Conversely, its expression is low in healthy tissues. CYP1B1 may drive tumorigenesis through promoting the formation of reactive toxins from environmental pollutants or from endogenous hormone substrates. Additionally, the expression of CYP1B1 in tumors is associated with resistance to several common chemotherapies and with poor prognoses in cancer patients. However, inhibiting CYP1B1 with small molecules has been demonstrated in cellular and murine model systems to reverse this …

Electrically Assisted Solution Blow Spinning Of Pvdf/Tpu Nanofibrous Mats For Air Filtration Applications, Andinet Kumella Eticha, Ali̇ Toptaş, Yasi̇n Akgül, Ali̇ Kiliç

Turkish Journal of Chemistry

In this study, pure polyvinylidene fluoride (PVDF), pure thermoplastic polyurethane (TPU), and PVDF/TPU blend nanofibers (1:3, 2:2, 3:1 ratios) were produced via electrically assisted solution blow spinning for air filtration applications. Scanning electron microscopy (SEM) analysis was conducted to investigate the diameters and morphology of nanofibers. The filtration performance of nanofibrous mats was examined by air filtration test with challenging with 0.26 ± 0.07 μm salt particles. Moreover, the flexibility and strength of the samples were determined via tensile tests. Results showed that pure TPU nanofibers had better mechanical properties, while pure PVDF nanofibers showed better filtration performance. However, 3PVDF/1TPU …

Rovibrational States Calculations Of The H2o-Hcn Heterodimer With The Multiconfiguration Time Dependent Hartree Method, Hervé Tajouo Tela, Ernesto Quintas-Sánchez, Marie Lise Dubernet, Yohann Scribano, Richard Dawes, Fabien Gatti, Steve Ndengué

Chemistry Faculty Research & Creative Works

Water and hydrogen cyanide are two of the most common species in space and the atmosphere with the ability of binding to form dimers such as H₂O-HCN. In the literature, while calculations characterizing various properties of the H₂O-HCN cluster (equilibrium distance, vibrational frequencies and rotational constants) have been done in the past, extensive calculations of the rovibrational states of this system using a reliable quantum dynamical approach have yet to be reported. In this work, we intend to mend that by performing the first calculation of the rovibrational states of the H₂O-HCN van der …

Advances In Bioelectrode Design For Developing Electrochemical Biosensors, Nabajyoti Kalita, Sudarshan Gogoi, Shelley D. Minteer, Pranab Goswami

Chemistry Faculty Research & Creative Works

The critical performance factors such as selectivity, sensitivity, operational and storage stability, and response time of electrochemical biosensors are governed mainly by the function of their key component, the bioelectrode. Suitable design and fabrication strategies of the bioelectrode interface are essential for realizing the requisite performance of the biosensors for their practical utility. A multifaceted attempt to achieve this goal is visible from the vast literature exploring effective strategies for preparing, immobilizing, and stabilizing biorecognition elements on the electrode surface and efficient transduction of biochemical signals into electrical ones (i.e., current, voltage, and impedance) through the bioelectrode interface with the …

Nanostructured Ternary Nickel-Based Mixed Anionic (Telluro)-Selenide As A Superior Catalyst For Oxygen Evolution Reaction, Ibrahim Munkaila Abdullahi, Siby Thomas, Alessio Gagliardi, Mohsen Asle Zaeem, Manashi Nath

Chemistry Faculty Research & Creative Works

Developing Protocols for Designing High-Efficiency, Durable, Cost-Effective Electrocatalysts for Oxygen Evolution Reaction (OER) Necessitates Deeper Understanding of Structure–property Correlation as a Function of Composition. Herein, It Has Been Demonstrated that Incorporating Tellurium into Binary Nickel Chalcogenide (NiSe) and Creating a Mixed Anionic Phase Perturbs its Electronic Structure and Significantly Enhances the OER Activity. a Series of Nanostructured Nickel Chalcogenides Comprising a Layer-By-Layer Morphology Along with Mixed Anionic Ternary Phase Are Grown in Situ on Nickel Foam with Varying Morphological Textures using Simple Hydrothermal Synthesis Route. Comprehensive X-Ray Diffraction, X-Ray Photoelectron Spectroscopy, and in Situ Raman Spectroscopy Analysis Confirms the Formation …

Epitaxial Electrodeposition Of Ordered Inorganic Materials, Jay A. Switzer, Avishek Banik

Chemistry Faculty Research & Creative Works

Conspectus The quality of technological materials generally improves as the crystallographic order is increased. This is particularly true in semiconductor materials, as evidenced by the huge impact that bulk single crystals of silicon have had on electronics. Another approach to producing highly ordered materials is the epitaxial growth of crystals on a single-crystal surface that determines their orientation. Epitaxy can be used to produce films and nanostructures of materials with a level of perfection that approaches that of single crystals. It may be used to produce materials that cannot be grown as large single crystals due to either economic or …

Nuclear Magnetic Resonance Study Of Co2 Capture By Fluoroalkylamines: Ammonium Ion Pka Depression Via Fluorine Modification And Thermochemistry Of Carbamylation, Brian Jameson, Kari Knobbe, Rainer Glaser

Chemistry Faculty Research & Creative Works

We are developing energy-efficient and reversible carbon capture and release (CCR) systems that mimic the Lys201 carbamylation reaction in the active site of ribulose-1,5-bisphosphate carboxylase-oxygenase (RuBisCO). The multiequilibria scenario ammonium ion Xa ⇌ amine Xb ⇌ carbamic acid Xc ⇌ carbamate Xd requires the presence of both free amine and CO2 for carbamylation and is affected by the pKa(Xa). Two fluorination strategies aimed at ammonium ion pKa depression and low pH carbamylation were analyzed with (2,2,2-trifluoroethyl) butylamine 2b and 2,2-difluoropropylamine 3b and compared to butylamine 1b. The determination of K1 and ΔG1 of the carbamylation reactions requires the solution of …

Natural Product Co-Metabolism And The Microbiota–Gut–Brain Axis In Age-Related Diseases, Mark Obrenovich, Sandeep Kumar Singh, Yi Li, George Perry, Bushra Siddiqui, Waqas Haq, V. Prakash Reddy

Chemistry Faculty Research & Creative Works

Complementary alternative medicine approaches are growing treatments of diseases to standard medicine practice. Many of these concepts are being adopted into standard practice and orthomolecular medicine. Age-related diseases, in particular neurodegenerative disorders, are particularly difficult to treat and a cure is likely a distant expectation for many of them. Shifting attention from pharmaceuticals to phytoceuticals and "bugs as drugs" represents a paradigm shift and novel approaches to intervention and management of age-related diseases and downstream effects of aging. Although they have their own unique pathologies, a growing body of evidence suggests Alzheimer's disease (AD) and vascular dementia (VaD) share common …

Extracellular Poly(Hydroxybutyrate) Bioplastic Production Using Surface Display Techniques, Kevin Beaver, Ashwini Dantanarayana, Willisa Liou, Markus Babst, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Poly(hydroxybutyrate) is a biocompatible, biodegradable polyester synthesized naturally in a variety of microbial species. A greener alternative to petroleum-based plastics and sought after for biomedical applications, poly(hydroxybutyrate) has failed to break through as a leading material in the plastic industry due to its high cost of production. Specifically, the extraction of this material from within bacterial cells requires lysis of cells, which takes time, uses harsh chemicals, and starts the process again with growing new living cells. Recently, surface display of enzymes on bacterial membranes has become an emerging technique for extracellular biocatalysis. In this work, a fusion protein lpp-ompA-phaC …

Modulatory Effects Of Deacetylated Sialic Acids (A Sugar Residue) In Nk-Mediated Cytotoxicity And Targeted Therapy By Receptor Tyrosine Kinase Inhibitors, Mathias Tawiah Anim

Electronic Theses and Dissertations

The complex nature of the biology of cancer is still an unraveling science, yielding several biomarkers that have served as molecular targets for detection and treatment of the disease. How sugars, glycans, play a role has remained relatively uninvestigated. Sialic acid (Sia), a sugar residue on the surface of cells, has been identified as a hallmark of cancer and its progression. Sialic acid can be highly functionalized, but we became interested in acetylated Sias. This functional group is modulated by Sialate O- acetylesterase (encoded by the gene SIAE) and Sialate O-acetyltransferase (encoded by CASD1), enzymes that play a crucial role …

Design, Synthesis, And Evaluation Of Acetyl Coa Synthetase Inhibitors, Michael Emmett Heene

Graduate Research Theses & Dissertations

Invasive fungal species provide a challenge to the current drug landscape, only partiallymet by approved drugs. The Acetyl Coenzyme Synthetase (ACS) enzymes are an attractive target for antifungal compounds because normal mammalian cells do not rely on ACS for energy metabolism while fungal cells do rely on ACS. This work focuses on the design and synthesis of inhibitors of various fungal ACS enzymes. The first class of inhibitors is based on the 2-aminothiazole scaffold originating from a saturation transfer difference (STD) nuclear magnetic resonance (NMR) study and previous whole-organism assays. Ultimately, the 2-aminothiazole core compounds were found to not be …

The Indivisible System: Modeling The Metal-Pterin-Dithiolene System In Molybdenum And Tungsten Cofactors, Cassandra Gates

Bryn Mawr College Dissertations and Theses

Mo and W enzymes are ubiquitous in living organisms and crucial for sustaining life. Mo and W enzyme variety is diverse, but they contain a highly conserved aspect of functionality in these enzymes, the pyranopterin-dithiolene (PDT) ligand. A total of eight possible electron redox equivalents occurs between the metal center and PDT, making the molybdenum cofactor (Moco) and the tungsten cofactor (Tuco) the most redox rich cofactors in all of biology. This research focuses on the development of new pterin-dithiolene synthetic modeling systems for Moco. The knowledge gained from the characterization of these compounds is applied to the enzymes, furthering …

Rapid Generation Of P(V)-F Bonds Through The Use Of Sulfone Iminium Fluoride Reagents, Lucy P. Miller, James A. Vogel, Shiraz Harel, Jenna M. Krussman, Patrick R. Melvin

Chemistry Faculty Research and Scholarship

Phosphorus–fluorine bonds have become increasingly relevant in the pharmaceutical industry. To continue their exploration, more efficient synthetic methods are needed. Here, we report the application of sulfone iminium fluoride (SIF) reagents to the synthesis of P(V)–F bonds. The SIF reagents promote the deoxyfluorination of phosphinic acids in just 60 s with excellent yields and scope. The same P(V)–F products can also be synthesized from secondary phosphine oxides using an SIF reagent.

Enzymatic Electrochemical Biosensors For Neurotransmitters Detection: Recent Achievements And Trends, Zina Fredj, Baljit Singh Dr., Mohamed Bahri, Peiwu Qin, Mohamad Sawan

Articles

Neurotransmitters (NTs) play a crucial role in regulating the behavioral and physiological functions of the nervous system. Imbalances in the concentrations of NT have been directly linked to various neurological diseases (e.g., Parkinson’s, Huntington’s, and Alzheimer’s disease), in addition to multiple psychotic disorders such as schizophrenia, depression, dementia, and other neurodegenerative disorders. Hence, the rapid and real-time monitoring of the NTs is of utmost importance in comprehending neurological functions and identifying disorders. Among different sensing techniques, electrochemical biosensors have garnered significant interest due to their ability to deliver fast results, compatibility for miniaturization and portability, high sensitivity, and good controllability. …

Isolation And Identification Of Chlorate-Reducing Hafnia Sp. From Milk, William P. Mccarthy, Meghana Srinivas, Martin Danaher, Christine O'Connor, Tom F. O'Callaghan, Douwe Van Sinderen, John Kenny, John T. Tobin

Articles

Chlorate has become a concern in the food and beverage sector, related to chlorine sanitizers in industrial food production and water treatment. It is of particular concern to regulatory bodies due to the negative health effects of chlorate exposure. This study investigated the fate of chlorate in raw milk and isolated bacterial strains of interest responsible for chlorate breakdown. Unpasteurized milk was demonstrated to have a chlorate-reducing capacity, breaking down enriched chlorate to undetectable levels in 11 days. Further enrichment and isolation using conditions specific to chlorate-reducing bacteria successfully isolated three distinct strains of Hafnia paralvei . Chlorate-reducing bacteria were …

Diethoxycarbonyl-Bodipys As Heavy-Atom-Free Photosensitizers For Holographic Recording In Cellulose Acetate Photopolymer, Aimee Sheehan, Tatsiana Mikulchyk, Catherine S.P. De Castro, Safakath Karuthedath, Wejdan Althobaiti, Metodej Dvoracek, Sabad-E Gul, Hugh Byrne, FréDéRic Laquai, Izabela Naydenova, Mikhail Filatov

Articles

A series of new heavy-atom-free photosensitizers based on 2,6-diethoxycarbonyl-BODIPY scaffold was designed and applied for holographic recording in a photopolymerizable material. Photoinduced electron transfer between the BODIPY and meso-aryl subunits, followed by the formation of BODIPY triplet excited states via spin-orbit charge transfer intersystem crossing (SOCT-ISC) was studied by steady-state and ultrafast pump-probe transient optical spectroscopy. Highly efficient photosensitization was observed for dyads bearing pyrene and anthracene substituents, which exhibited singlet oxygen generation quantum yields () of up to 94%. Charge transfer and SOCT-ISC were observed in non-polar solvent (toluene) due to the increased electron accepting ability of the diethoxycarbonyl-BODIPY. …

A Simple Microcalorimetry System To Determine The Adsorption Behaviour Of Acids In Large Adhesive Bond Gaps Using Base-Initiated Solution Polymerisation Of Ethyl-2-Cyanoacrylate, Kevin Raheem, John Cassidy, Tony Betts, Bernard Ryan

Articles

This work presents the use of a simple microcalorimetry cyanoacrylate (CA) polymerisation system for investigating aspects of CA adhesive cure through gap and adsorption of adhesive acid stabiliser by a range of metal and glass substrates. It is well established that strong acid induced inhibition periods (IPs) are almost directly proportional to the acid concentration in weak base initiated polymerisations of alkyl CAs in tetrahydrofuran (THF). Ethyl cyanoacrylate (ECA) polymerisation IP measurements were used to determine the adsorption of methanesulfonic acid (MSA) in THF or ECA solutions by a range of metal, glass and polypropylene (PP) lap shears surfaces. The …

Synthesis Of Fluoxetine, Annaliese Franklin, Erica Nelson

Research Awards

No abstract provided.

Investigation Of Factors Affecting Reverse-Phase High Performance Liquid Chromatography, Rida A. Syed

AUCTUS: The Journal of Undergraduate Research and Creative Scholarship

This study focused on the application of reverse-phase high-performance liquid chromatography (RP-HPLC). RP-HPLC is used for the purification of organic molecules, including pharmaceuticals, natural products, and proteins. We developed a modified version of a United States Pharmacopeia (USP) procedure to separate and purify the chemical components found in Excedrin tablets. The goal was to investigate the relationship between retention time (Tr) and the capacity factor (k') of solutes. By varying the composition of the mobile phase and stationary phase, we experimentally determined the capacity factor of acetaminophen (APAP), caffeine, and aspirin. Our results show that the capacity factor (k') of …

Effect Of Carbon Fiber Reinforcement On Dimensional Variations Of 3d Printed Polyamide-6 Composites: A Simulation Study, Ans Al Rashid, Hamid Ikram, Muammer Koç

Turkish Journal of Chemistry

Due to material design and fabrication flexibility, additive manufacturing (AM) or 3D printing (3DP) processes and polymer composites have paved their way into several industrial sectors. The quality of 3D printed polymer composites is highly dependent on the reinforcement content of polymers and 3DP process parameters. Several experimental studies are performed to optimize the reinforcement contents and process parameters; however, exploring the numerical modeling and simulation techniques is vital to lower the research and development costs. In the study, the numerical simulations for the 3DP process were performed using Digimat® software for carbon fiber-reinforced polyamide-6 (PA6) composites fabricated via the …

Design Of Block Copolymer With Tunable Hydrophobic/Hydrophilic/Fluorophilic Interactions, Tatiane De Fatima Dutra

Theses, Dissertations and Culminating Projects

Block copolymers (BCP) with balanced interactions and their resultant bulk-phase self-assembly have become increasingly important in advancing nanotechnology, separation, and energy applications. However, a few reports have addressed the synthesis challenge and bulk-phase self-assembly of such triblock copolymers. This thesis presents a facile route for preparing triblock copolymer via controlled radical and organocatalytic ring-opening polymerization that allows precise control over the incorporation of individual moieties in resultant polymer, responsible for balanced hydrophilic, hydrophobic/lipophilic, and fluorophilic interactions. Synthesized polymer with suggested self-assembled 2D lamellar nanostructure exhibits high-temperature stability. The long-term goal of this work is to selectively use this polymer class …

A Computational Study Of The Copper-Catalyzed Trifluoromethylation Of Boronic Acids, Kevin Nyhuis

Theses, Dissertations and Culminating Projects

This work is a computational study of a reaction mechanism for the trifluoromethylation of boronic acids. Three steps of the proposed reaction mechanism are studied, •CF₃ addition to a copper catalyst center, base promoted transmetalation between copper and aryl boronic acid, and bond forming reductive elimination in which the CF₃ and aryl substituent form a bond. Limited information is known about this mechanism. This study uses computational methods to attempt to elucidate the mechanism and provide the groundwork for potential improvement. Quantum chemical methods in conjunction with tight-binding based conformational sampling methods are used to investigate the possible …