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Articles 4381 - 4410 of 33383

Full-Text Articles in Chemistry

Gan/Zno Hybrid Nanostructures For Improved Photocatalytic Performance: One-Step Synthesis, Tugay Üstün, Bi̇rcan Haspulat Taymaz, Volkan Eski̇zeybek, Handan Kamiş, Ahmet Avci Jan 2023

Gan/Zno Hybrid Nanostructures For Improved Photocatalytic Performance: One-Step Synthesis, Tugay Üstün, Bi̇rcan Haspulat Taymaz, Volkan Eski̇zeybek, Handan Kamiş, Ahmet Avci

Turkish Journal of Chemistry

Nanostructured semiconductor materials are considered potential candidates for the degradation of textile wastewater via the photocatalytic process. This study aims to produce hexagonal gallium nitride (GaN) nanoplates and zinc oxide (ZnO) nanoparticles in a deionized water environment utilizing a one-step arc discharge process. Detailed characterization of samples has been completed via scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and UV visible spectroscopy methods. The hybrid nanostructure morphologies consist of nanoplates and nanorods of different sizes. The photoperformance of GaN/ZnO hybrid nanostructures was assessed via the malachite green (MG) dye degradation under …

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Effect Of Size-Graded And Polydopamine-Coated Halloysite Nanotubes On Fundamental Properties Of Low-Density Polyethylene Nanocomposite Film, Cüneyt Erdi̇nç Taş Jan 2023

Effect Of Size-Graded And Polydopamine-Coated Halloysite Nanotubes On Fundamental Properties Of Low-Density Polyethylene Nanocomposite Film, Cüneyt Erdi̇nç Taş

Turkish Journal of Chemistry

In this study, some of the critical fundamental properties, which are holding importance in usage areas, of low-density polyethylene (LDPE) film were studied by embedding size-graded and polydopamine-coated halloysite nanotubes into the polymer matrix. This concept evaluated the importance of the well-dispersion of nanoparticles in the composite system and interfacial adhesion between nanofiller and polymer matrix on the degree of crystallinity and mechanical properties. For this purpose, halloysite nanotubes, coated with polydopamine and size graded afterward, were integrated into the LDPE matrix by the twin-screw extrusion process, following which, nanocomposite films were prepared by film-blown technique. Both effects of halloysite …

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The Effect Of Poss Nanoparticles On Crosslinking Of Styrene-Butadiene Rubber Nanocomposites, Seda Beki̇n Açar, Mehmet Ati̇lla Taşdelen, Bağdagül Karaağaç Jan 2023

The Effect Of Poss Nanoparticles On Crosslinking Of Styrene-Butadiene Rubber Nanocomposites, Seda Beki̇n Açar, Mehmet Ati̇lla Taşdelen, Bağdagül Karaağaç

Turkish Journal of Chemistry

The effect of octaisobutyl-polyhedral oligomeric silsesquioxane (OIB-POSS) as a nanosized reinforcement on the cure kinetics, crosslinking density, and mechanical properties of styrene-butadiene rubber (SBR) nanocomposites was examined in this study. For this purpose, SBR compounds with various OIB-POSS nanoparticle loadings at 1, 3, and 5 phr were prepared and their results were compared with a reference compound without OIB-POSS. When 1 phr of OIB-POSS was added to the rubber matrix, the elongation at break values and tensile strength of the corresponding nanocomposite increased by 24.1% and 29.2% compared to the reference sample, respectively. The presence of OIB-POSS nanoparticles and their …

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Privileged Fragment-Based Design, Synthesis And In Vitro Antitumor Activity Of Imatinib Analogues, Hongyu Jiang, Yuankun Wang, Maokai Jiang, Lei Yao Jan 2023

Privileged Fragment-Based Design, Synthesis And In Vitro Antitumor Activity Of Imatinib Analogues, Hongyu Jiang, Yuankun Wang, Maokai Jiang, Lei Yao

Turkish Journal of Chemistry

Based on the privileged fragment-based drug design strategy, a series of imatinib analogues bearing the moiety of 3-(2-amino- 2-oxoacetyl)-1H-indole were designed and synthesized, and the in vitro antitumor activity of these compounds was detected by MTT method using K562 (human myeloid leukemia) and K562R (imatinib-resistant chronic myeloid leukemia) cell lines. Molecular docking was used to preliminarily explain the possible binding modes. The most potent compound I2 exhibited better antitumor activity than those of imatinib against K562 and K562R cancer cells with IC50 values of 0.8 ?M and 0.7 ?M.

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H2(G) Production From Dimethylamine Borane By Cu0/Wo3 Nps Catalyst, Doaa Al-Hameedawi̇, Seda Karaboğa, İzzet Morkan Jan 2023

H2(G) Production From Dimethylamine Borane By Cu0/Wo3 Nps Catalyst, Doaa Al-Hameedawi̇, Seda Karaboğa, İzzet Morkan

Turkish Journal of Chemistry

Cu0 NPs supported on tungsten (VI) oxide (WO3) were in situ generated from the reduction of Cu2+ ions during dehydrogenation of dimethylamine borane (DMAB). The Cu0/WO3 NPs displayed tangible catalytic activity in H2 (g) releasing reaction and they were identified by using advanced techniques. Cu0/WO3 NPs were found as active catalyst providing one equiv. H2(g) per mole of DMAB. The results from TEM images display the formation of Cu0 NPs with an average particle size of 4.6 ± 1.0 nm on the surface of WO3. Moreover, Cu0/WO3 NPs with various metal loadings were prepared and tested as catalyst in dehydrogenation …

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Synthesis Optimization Of Zro2 Nanostructures For Photocatalytic Applications, Fi̇li̇z Boran, Merve Okutan Jan 2023

Synthesis Optimization Of Zro2 Nanostructures For Photocatalytic Applications, Fi̇li̇z Boran, Merve Okutan

Turkish Journal of Chemistry

This study aims to optimize the synthesis of semiconductor zirconia (ZrO2) nanoparticles for future photocatalytic applications in degradation of pollutants in wastewater under ultraviolet (UV) light. The synthesis procedure of ZrO2 nanoparticles was optimized by examining the effects of synthesis methods (ultrasound-assisted, hydrothermal method in an autoclave and conventional precipitation), reaction time (2, 6, 10, and 18 h), ambient pH (3, 7, 10, 13), and surfactant type (anionic, cationic, and non-ionic), on the particle size and crystal phase of the nanomaterial. The characterization of the synthesized samples was performed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), energy-dispersive X-ray …

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In Vitro Tyrosinase Inhibitory, Dna Interaction Studies, And Lc?Hrms Analysis Of Ficus Carica Leaves, Güli̇n Renda, Burak Barut, Rümeysa Ceren, Enes Aydin Jan 2023

In Vitro Tyrosinase Inhibitory, Dna Interaction Studies, And Lc?Hrms Analysis Of Ficus Carica Leaves, Güli̇n Renda, Burak Barut, Rümeysa Ceren, Enes Aydin

Turkish Journal of Chemistry

Turkey is the world?s leading producer of figs, a typical Mediterranean fruit. The fig, Ficus carica L. (Moraceae), has been widely cultivated since ancient times due to the nutritional value of its fruits. It was aimed to investigate the phytochemical characterization and biological properties of F. carica leaf extracts in order to determine their potential for use in the treatment of various diseases. F. carica leaves were extracted in 70% methanol at 40 °C under reflux. To obtain extracts of different polarities, the crude extract was fractionated with n-hexane, dichloromethane, and n-butanol. Phenolic content was determined using liquid chromatography?high resolution …

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Ultrasound-Assisted Synthesis Of Rgo/Sio2-Based Nanosheets And Their Electrochemical Performances In Li-Ion Batteries, Ersu Lökçü, Süleyman Can, Mustafa Anik Jan 2023

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 …

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New Pyrimidine-N-Ss-D-Glucosides: Synthesis, Biological Evaluation, And Molecular Docking Investigations, Nuran Kahri̇man, Kivanç Peker, Vi̇ldan Serdaroğlu, Ali̇ Aydin, Burçi̇n Türkmenoğlu, Asu Usta, Nuretti̇n Yayli Jan 2023

New Pyrimidine-N-Ss-D-Glucosides: Synthesis, Biological Evaluation, And Molecular Docking Investigations, Nuran Kahri̇man, Kivanç Peker, Vi̇ldan Serdaroğlu, Ali̇ Aydin, Burçi̇n Türkmenoğlu, Asu Usta, Nuretti̇n Yayli

Turkish Journal of Chemistry

In this study, syntheses of new pyrimidine-coupled N-ß-glucosides and tetra-O-acetyl derivatives were carried out. All glycoconjugates were investigated in comparison with known chemotherapeutic agents in terms of their antimicrobial and anticancer functions and DNA/protein binding affinities. Spectral data showed that all glycoside derivatives were obtained by diastereoselectivity as ß-anomers. Both tested groups exhibited strong antiproliferative activity (2.29?66.84 ?g/mL), but some of them had sufficiently ideal % cytotoxicity values (10.01%?16.78%). And also all synthetic compounds exhibited remarkable antibacterial activity against human pathogenic bacteria. Binding of these compounds to CT-DNA resulted in significant changes in spectral properties, consistent with groove binding. Molecular …

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Carbon Nanotube/Waterborne Polyurethane Nanocomposites With Light-To-Heat Conversion Properties, Hayri̇ye Ünal Jan 2023

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 …

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Zinc-Mediated Efficient And Selective Reductive Aza-Claisen Rearrangement Of N-Allyland N-Propargylaminoanthraquinones In Ionic Liquid, Fereshteh Albooyeh, Ghasem Aghapour Jan 2023

Zinc-Mediated Efficient And Selective Reductive Aza-Claisen Rearrangement Of N-Allyland N-Propargylaminoanthraquinones In Ionic Liquid, Fereshteh Albooyeh, Ghasem Aghapour

Turkish Journal of Chemistry

An efficient method is described for the first time for reductive aza-Claisen rearrangement of 1-(N-allylamino) anthraquinones to 1-amino-2-(prop-2?-enyl)anthraquinones using zinc powder in 1-methylimidazolium tetrafluoroborate ([Hmim] BF4) as an ionic liquid in good to excellent yields. Extending of this method on 1-(N-propargylamino)anthraquinones causes the production of 1,2,3,4-tetrahydronaphtho[2,3-h]quinoline-7,12-diones containing a newly synthesized six membered heterocyclic ring on anthraquinone core via performing this reductive [3,3] sigmatropic reaction followed by cyclization in a tandem manner. These rearrangements can be executed even in the presence of some other functional groups with excellent chemoselectivity.

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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 Jan 2023

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 …

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A New Method In The Synthesis Of Conductive Polymers; Synthesis, Characterization, And Investigation Of Photocatalytic Properties Of Polyaniline, Muzaffer Can Jan 2023

A New Method In The Synthesis Of Conductive Polymers; Synthesis, Characterization, And Investigation Of Photocatalytic Properties Of Polyaniline, Muzaffer Can

Turkish Journal of Chemistry

As known, in the synthesis of conductive polyaniline polymer from aniline monomer, the polymerization medium must be acidic. In order to make the polymerization medium acidic, protonic acids such as HCl and H2SO4 are generally used. In this study, two acids have been used to make the polymerization medium acidic. One of them, as we know, is H2SO4 as a protonic acid. The other acid is the zinc ion, which is a Lewis acid. The metal ion has never been used for this purpose up to now. Two polyaniline polymers have been synthesized to prove that conductive polymers can also …

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Imaging Supermolecular Interactions Of The Pharmaceutical- Cocrystal Of Apigeninnicotinamide Binding With Serum Albumin, Yuting Sun, Ming Guo, Xiaoxue Zhao, Ronghui Wu Jan 2023

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 …

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Modelling And Simulation Of Chemical Reaction Of Porous Mgcl2 Pellets With Nh3 By Including Impact Of Heat And Mass Transfer And Structure Change, Zeynep Karakaş Helvaci, Gürkan Karakaş, Yusuf Uludağ Jan 2023

Modelling And Simulation Of Chemical Reaction Of Porous Mgcl2 Pellets With Nh3 By Including Impact Of Heat And Mass Transfer And Structure Change, Zeynep Karakaş Helvaci, Gürkan Karakaş, Yusuf Uludağ

Turkish Journal of Chemistry

The MgCl2?NH3 reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. The reversible nature of the chemical reaction is captured by including adsorption and desorption terms in the rate expression simultaneously. The kinetic coefficients of the adsorption are directly adopted from the literature, while those for the desorption reaction are calculated based on the thermodynamic relations. The impact of changing pressure and pellet porosity are also investigated in the simulations. The initial temperature of the pellet is 300 K in all simulations. Temperature, NH3 pressure, and conversion distributions in the pellets, …

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Facile Preparation Of Polyolefin-Based Amphiphilic Graft Copolymer Fibers By Combination Of Photoinduced Graft Copolymerization And Electrospinning, Çağatay Altinkök Jan 2023

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) …

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Hydrophobic Surface Modification And Characterization Of Melamine Foam, Merve Okutan, Fi̇li̇z Boran, Ayça Ergün, Yusuf Kanca, Bengi̇ Özkahraman, Hüseyi̇n Deli̇göz Jan 2023

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 …

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Dual-Reactive Hydrogels Functionalizable Using ?Huisgen Click? And ?Schiff Base? Reactions, Nergi̇z Cengi̇z Jan 2023

Dual-Reactive Hydrogels Functionalizable Using ?Huisgen Click? And ?Schiff Base? Reactions, Nergi̇z Cengi̇z

Turkish Journal of Chemistry

Hydrogels incorporating different reactive groups are important platforms for the fabrication of functional materials through the conjugation of diverse molecules. In this study, a dual-reactive hydrogel system was designed utilizing aldehyde and azide groups containing methacrylate monomers. Hydrogels were obtained in the presence of a dimethacrylate crosslinker with a combination of hydrophilic PEG-based monomers via free-radical polymerization. The azide and aldehyde sites of the hydrogel network are reactive towards alkyne and amine functional groups, respectively. The advantage of the different reactivities of these functional groups was demonstrated through the attachment of two different dye molecules onto the hydrogel platform via …

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Spectrophotometric Quantification Of Paracetamol And Tramadol Hydrochloride By Chemometric Calibration Methods, Faysal Seli̇moğlu, Nermi̇n Pinarcik Jan 2023

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 …

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Theoretical Investigation Of Steric Effects On The S1 Potential Energy Surface Of O-Carborane-Anthracene Derivatives, Fahri̇ Alkan Jan 2023

Theoretical Investigation Of Steric Effects On The S1 Potential Energy Surface Of O-Carborane-Anthracene Derivatives, Fahri̇ Alkan

Turkish Journal of Chemistry

TDDFT scan calculations were performed for s-carborane-anthracene derivatives (o-CB-X-Ant where X=-H, -CH3, -C2H5 and tert-butyl or -tBu) in order to understand the interplay between the steric effects, S1 potential energy surface (PES) and photophysical properties. The results show that all systems exhibit three local minima on the S1 PES, which correspond to the emissive LE and TICT state, along with the nonemissive CT state respectively. In the case of the unsubstituted system (o-CB-H-Ant), and -CH3 and -C2H5 substituted cases, S1 PES is predicted to be quite flat for certain conformations indicating that it is possible for these systems to reach …

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Investigation Of Boron Adsorption By Graphene Oxide: Equilibrium, Kinetic, And Thermodynamic Studies, Mehmet Fati̇h Önen, Nalan Erdöl Aydin, Osman Eksi̇k, Peli̇n Demi̇rci̇vi̇, Gülhayat Saygili Jan 2023

Investigation Of Boron Adsorption By Graphene Oxide: Equilibrium, Kinetic, And Thermodynamic Studies, Mehmet Fati̇h Önen, Nalan Erdöl Aydin, Osman Eksi̇k, Peli̇n Demi̇rci̇vi̇, Gülhayat Saygili

Turkish Journal of Chemistry

Graphene oxide, which has a great application in industry, is one of the promising carbonous materials. Modified Hummers method was applied to synthesize graphene oxide. Characterization techniques showed that pure graphene oxide was successfully obtained. Its adsorptive properties were investigated by boron adsorption. The results were demonstrated that boron adsorption on graphene oxide was a pH-dependent process and maximum adsorption was achieved at pH 6 (0.98 mg g?1). Langmuir adsorption capacity was calculated as 3.92 mg g?1 with R2 = 0.99. The kinetic data brought to light that pseudosecond-order kinetic model was well described the experimental data (R2 = 0.99), …

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Analysis Of Multi-Drug Resistant Mycobacterium Tuberculosis Using Split Deoxyribozymes, Abryana Fergus Jan 2023

Analysis Of Multi-Drug Resistant Mycobacterium Tuberculosis Using Split Deoxyribozymes, Abryana Fergus

Electronic Theses and Dissertations, 2020-2023

Globally, tuberculosis, a disease caused by the species of Mycobacterium tuberculosis (Mtb) complex, stands as a leading cause of death from a single infectious agent. Even though antituberculous drugs are available, treatment is challenging due to antibiotic resistance associated with point mutations in the bacterial genome. Resistance to the first-line antibiotics – rifampin and isoniazid – results in multidrug-resistant tuberculosis (MDR) requiring a more complicated treatment regimen. Timely and accurate identification of drug-resistant TB cases can help prescribe the most effective treatment and prevent the spread of infection. This research aims to develop an assay to discern multi-drug resistant forms …

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A Developmental Investigation Of Separation And Analysis Of Molecular Mass 302 Da Polyaromatic Hydrocarbons Using High Performance Liquid Chromatography And Chiral Stationary Phase, James Janesko Jan 2023

A Developmental Investigation Of Separation And Analysis Of Molecular Mass 302 Da Polyaromatic Hydrocarbons Using High Performance Liquid Chromatography And Chiral Stationary Phase, James Janesko

Electronic Theses and Dissertations, 2020-2023

High molecular weight – polycyclic aromatic hydrocarbons (HMW-PAH) are often found where air, water, and soil are subject to higher levels of industrial pollutants. These molecules are environmentally concerning due to their carcinogenic, mutagenic, and tumorigenic propensities. Furthermore, the isomers in this family are challenging to separate due to similar retention parameters, spectroscopic fingerprints, and mass spectral patterns. The primary purpose of this dissertation is to expand on the methodology for separation and analysis of the molecular mass 302 Da six-ring isomers using High Performance Liquid Chromatography. Retention behaviors of 21 commercially available isomers in synthetic mixture were collected via …

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Functionalizing Metal-Organic Super-Containers (Moscs) For Selective Anion Recognition, Hanying Li Jan 2023

Functionalizing Metal-Organic Super-Containers (Moscs) For Selective Anion Recognition, Hanying Li

Dissertations and Theses

Anions are ubiquitous in Nature and play critical roles in both chemistry and biology. Biologically important molecules like enzymes, DNA, and ATP (adenosine triphosphate) are either anionic or contain negatively charged regions. Inorganic anions such as Cl- and HCO3- play essential roles in various physiological, environmental, and technological processes. Compared to cations, anions have larger ionic radii and more diffuse charge distribution, resulting in weaker electrostatic interactions. Developing synthetic receptors for controlled anion recognition is vital but poses significant challenges. Recent decades have shown remarkable progress in anion recognition, yielding diverse synthetic receptors with promising binding abilities. However, traditional approaches …

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Electronic Structure And Molecular Geometries Of Metal Complexes With Dft And Multireference Method, Rina Bhowmick Jan 2023

Electronic Structure And Molecular Geometries Of Metal Complexes With Dft And Multireference Method, Rina Bhowmick

Dissertations and Theses

Metal complexes are ubiquitous for their diverse applications including catalysis, sensing, medicine, and environmental applications. For effective use of metal complexes, understanding their electronic structure is essential. In most cases, molecules can be represented as a single electron configuration. However, in some cases, especially transition metal and actinide complexes, multireference electronic structures are observed. This is because the valence d (and f) orbitals in metals are often nearly degenerate, leading to close-lying energy states and the subsequently more frequent presence of multiconfigurational electronic structures. The traditional approach to modeling these systems is to use density functional theory to optimize the …

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Molecular Biofilm Inhibitors On Noble Metal Surfaces, Mahamadu Tiah Mahama Jan 2023

Molecular Biofilm Inhibitors On Noble Metal Surfaces, Mahamadu Tiah Mahama

Dissertations and Theses

Biofilms are the state microorganisms on surfaces which negatively impact many of processes taking place on them. For example, most microbial infections are attributed to biofilm forma- tion, with bacteria in biofilms exhibiting an antibiotic resistance several orders of magnitude than planktonic bacteria. Therefore, developing antibiofilm agents and understanding their mechanism of inhibition is essential. Citrate functionalized gold nanoparticles are well known for their an- tibiofilm properties. Recently, hybrid bisphosphonate polyoxovanadate gold nanoparticles showed a great potential to inhibit both gram-negative and gram-positive bacteria biofilm formation. How- ever, it is unknown how this species interacts with the metal surface, its …

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Structural And Functional Modulation Of Metal-Organic Supercontainers (Moscs) And Their Applications In Supramolecular Catalysis, Shrijana Dc Jan 2023

Structural And Functional Modulation Of Metal-Organic Supercontainers (Moscs) And Their Applications In Supramolecular Catalysis, Shrijana Dc

Dissertations and Theses

Metal-organic supercontainers (MOSCs), a breakthrough development in our laboratory since 2012, have emerged as promising enzyme mimics, showcasing their prowess in encapsulating guest molecules and catalyzing confined chemical reactions. The intrigue surrounding MOSCs stems from their extraordinary traits, encompassing multiple binding domains, high stability, large surface area, tunable pore size, and structural modularity. Primarily comprising sulfonylcalix[4]arenes, divalent metal ions, and carboxylate linkers, MOSCs' quintessential architecture comprises both endo- and exo- nano-cavities, amenable to guest interaction, with geometry and functionality manipulation achievable through precise precursor selection. Nonetheless, early MOSC models exhibit limited reactivity, often necessitating more potent nucleophiles or electrophiles. This …

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Synthesis And Reactivity Of Xanthene-Based Heterobimetallic Systems For Co Oxidation, Umesh Kaluarachchige Don Jan 2023

Synthesis And Reactivity Of Xanthene-Based Heterobimetallic Systems For Co Oxidation, Umesh Kaluarachchige Don

Wayne State University Dissertations

Nature provides a useful guideline for the design of an efficient earth-abundant catalyst for CO oxidation that relies on bimodal heterobimetallic cooperativity. Molybdenum-copper carbon monoxide dehydrogenase (Mo-Cu CODH) is an enzyme of the xanthine oxidoreductase family that catalyzes reversible oxidation of CO; it is inhibited by cyanide CN- and inserts isocyanide CNR between Cu and O/S. The active site contains molybdenum(VI) in a square pyramidal configuration with apical oxo and basal dithiolene, oxo, and sulfide ligands. The two-coordinate Cu(I) is coordinated by cysteinate and Mo-sulfide to form Mo-S-Cu bridge.While several groups have reported structural models of the active site of …

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Surface-Engineered Mineral Particles For Gated Drug Delivery, Gene Transfer And Sunscreen Formulations, Mahadi Hasan Jan 2023

Surface-Engineered Mineral Particles For Gated Drug Delivery, Gene Transfer And Sunscreen Formulations, Mahadi Hasan

Dissertations and Theses

Surface-engineered nanomaterials have recently garnered wide attention for their huge biomedical applications. The surface functionalization of nanoparticles by desired chemical groups and coatings imparts unique properties to be used in therapeutic applications. Herein, we reported the biological and biomedical applications of three mineral particles: calcium carbonate nanoparticles, hydroxyapatite nanoparticles and mesoporous silica nanoparticles. The ability of pristine and surface-modified calcium carbonate particles to scatter UV-light significantly depends on the particle’s size, its surface chemical composition, and can be close to the SPF values of commercial sunscreens. These nontoxic particles are a promising component of biocompatible sunscreens free of the traditional …

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Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev Jan 2023

Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev

Science University Research Symposium (SURS)

Eugenol is commonly found in many plants such as cloves. It is one of the most used natural anesthetics in dentistry. Indonesia is one of the places indigenous to clove trees. Its people take advantage of the pain numbing properties in cloves to aid their tooth pain. The extraction of eugenol itself can be performed through steam distillation. With the process of distillation, the steam carries the oils extracted from the clove buds and recondenses into a cloudy distillate containing polar and non-polar molecules. To separate the eugenol from the distillate, green and non-green solvents were used. The green solvent …

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