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A Deep Learning Model To Predict Traumatic Brain Injury Severity And Outcome From Mr Images, Dacosta Yeboah, Hung Nguyen, Daniel B. Hier, Gayla R. Olbricht, Tayo Obafemi-Ajayi Jan 2021

A Deep Learning Model To Predict Traumatic Brain Injury Severity And Outcome From Mr Images, Dacosta Yeboah, Hung Nguyen, Daniel B. Hier, Gayla R. Olbricht, Tayo Obafemi-Ajayi

Chemistry Faculty Research & Creative Works

For Many Neurological Disorders, Including Traumatic Brain Injury (TBI), Neuroimaging Information Plays a Crucial Role Determining Diagnosis and Prognosis. TBI is a Heterogeneous Disorder that Can Result in Lasting Physical, Emotional and Cognitive Impairments. Magnetic Resonance Imaging (MRI) is a Non-Invasive Technique that Uses Radio Waves to Reveal Fine Details of Brain Anatomy and Pathology. Although MRIs Are Interpreted by Radiologists, Advances Are Being Made in the Use of Deep Learning for MRI Interpretation. This Work Evaluates a Deep Learning Model based on a Residual Learning Convolutional Neural Network that Predicts TBI Severity from MR Images. the Model Achieved a …


An Integrative Analysis On The Role Of Notch1 And Notch3 In Musculoskeletal Disease, Haydee Magdalena Torres Jan 2021

An Integrative Analysis On The Role Of Notch1 And Notch3 In Musculoskeletal Disease, Haydee Magdalena Torres

Electronic Theses and Dissertations

Notch signaling is an evolutionarily conserved signaling pathway involved in cell fate decisions and cell renewal of multiple systems, including skeletal and muscle homeostasis. As the multifunctional nuclear complex of Notch1 is essential for its pathological function, identifying these interacting partners represents a potentially broad range of druggable vulnerabilities. We have completed a BioID proteomics study and found a large set of nuclear proteins associated with NOTCH1, including transcriptional regulators and epigenetic modulators, of which Histone Deacetylase 1 (HDAC1) is a promising interacting partner of Notch1. Our Cytoscape analysis predicted HDAC1 to be a top critical node in an activated …


Synthesis Of Nonperipherally Tetra-[5-(Diethylamino)-2-Formylphenoxy] Substituted Metallophthalocyanines And Their Electrochemistry, Turgut Keleş, Di̇lek Ünlüer, Zekeri̇ya Biyiklioğlu, Yasemi̇n Ünver Jan 2021

Synthesis Of Nonperipherally Tetra-[5-(Diethylamino)-2-Formylphenoxy] Substituted Metallophthalocyanines And Their Electrochemistry, Turgut Keleş, Di̇lek Ünlüer, Zekeri̇ya Biyiklioğlu, Yasemi̇n Ünver

Turkish Journal of Chemistry

3-[5-(diethylamino)-2-formylphenoxy]phthalonitrile (n-TY-CN), metallophthalocyanines n-TY-Co, n-TY-Cu, and n-TY-Mn bearing [5-(diethylamino)-2-formylphenoxy] groups at nonperipheral positions were prepared for the first time. These compounds were characterized with IR, NMR (only for n-TY-CN), mass and UV-vis (except n-TY-CN) spectroscopy. Voltammetric characterizations of n-TY-Co, n-TY-Cu, and n-TY-Mn revealed that while n-TY-Co, n-TY-Cu, and n-TY-Mn showed characteristic Pc ring and/or metal-based reduction reaction, n-TY-Co, n-TY-Cu, and n-TY-Mn were coated on the working electrode during the oxidation processes owing to the cationic electropolymerizations of the [5-(diethylamino)-2-formylphenoxy] substituents.


Comparison Of Clinically Approved Molecules On Sars-Cov-2 Drug Target Proteins: A Molecular Docking Study, Hasan Çubuk, Mehmet Özbi̇l Jan 2021

Comparison Of Clinically Approved Molecules On Sars-Cov-2 Drug Target Proteins: A Molecular Docking Study, Hasan Çubuk, Mehmet Özbi̇l

Turkish Journal of Chemistry

The new type of coronavirus, SARS-CoV-2 has affected more than 22.6 million people worldwide. Since the first day the virus was spotted in Wuhan, China, numerous drug design studies have been conducted all over the globe. Most of these studies target the receptor-binding domain of spike protein of SARS-CoV-2, which is known to bind to the human ACE2 receptor and SARS-CoV-2 main protease, vital for the virus' replication. However, there might be a third target, human furin protease, which cleaves the virus' S1-S2 domains playing an active role in its entry into the host cell. In this study, we docked …


Vortex-Assisted Magnetic Solid Phase Extraction Of Pb And Cu In Some Herb Samples On Magnetic Multiwalled Carbon Nanotubes, Di̇lek Kamaş, Aslihan Karatepe, Mustafa Soylak Jan 2021

Vortex-Assisted Magnetic Solid Phase Extraction Of Pb And Cu In Some Herb Samples On Magnetic Multiwalled Carbon Nanotubes, Di̇lek Kamaş, Aslihan Karatepe, Mustafa Soylak

Turkish Journal of Chemistry

This study is the development of a new solid phase extraction method based on using magnetic multiwalled carbon nanotubes impregnated with 1-(2-pyridylazo)2-naphthol (PAN) for separation, preconcentration, and flame atomic absorption spectrometric determination of Pb(II) and Cu(II). Optimization of the method was done by investigating pH effect, amount of magnetic multiwalled carbon nanotubes impregnated with PAN, eluent type and volume, matrix effects, and volume of the sample. The optimum adsorbent amount was found to be 75 mg and the optimum pH value was found as 5.5. The detection limits were 16.6 μg L-1 for Pb(II) and 18.9 μg L-1 for Cu(II). …


Treatment Of Industrial Contaminants With Zero-Valent Iron- And Zero-Valent Aluminiumactivatedpersulfate: A Case Study With 3,5-Dichlorophenol And 2,4-Dichloroaniline, Olga Koba Ucun, Bahareh Montazeri̇, İdi̇l Arslan Alaton, Tuğba Ölmez Hanci Jan 2021

Treatment Of Industrial Contaminants With Zero-Valent Iron- And Zero-Valent Aluminiumactivatedpersulfate: A Case Study With 3,5-Dichlorophenol And 2,4-Dichloroaniline, Olga Koba Ucun, Bahareh Montazeri̇, İdi̇l Arslan Alaton, Tuğba Ölmez Hanci

Turkish Journal of Chemistry

Zero-valent iron (ZVI)- and zero-valent aluminium (ZVA)-activated persulfate (PS) oxidation procedure was applied to remove the industrial pollutants 3,5-dichlorophenol (3,5-DCP; 12.27 μM) and 2,4-dichloroaniline (2,4-DCA; 12.34 μM) from aqueous solutions. The effects of PS concentration and pH were investigated to optimize heterogeneous treatment systems. Negligible removals were obtained for both pollutants by individual applications of nanoparticles (1 g/L) and PS (1.00 mM). PS activation with ZVI resulted in 59% (1.00 mM PS; 1 g/L ZVI; pH 5.0; 120 min) and 100% (0.75 mM PS; 1 g/L ZVI; pH 5.0; 80 min) 3,5-DCP and 2,4-DCA removals, respectively. The ZVA/PS treatment system …


Toxicity Remission Of Paes On Multireceptors After Molecular Modification Through A3d-Qsar Pharmacophore Model Coupled With A Gray Interconnect Degree Method, Xinyi Chen, Yu Li Jan 2021

Toxicity Remission Of Paes On Multireceptors After Molecular Modification Through A3d-Qsar Pharmacophore Model Coupled With A Gray Interconnect Degree Method, Xinyi Chen, Yu Li

Turkish Journal of Chemistry

In the proposed model, the gray interconnect degree method was employed to process the acute toxicity values of phthalate acid esters (PAEs) to green algae, daphnia, mysid, and fish (predicted by EPI Suite software) and to obtain the comprehensive characterization value of the multireceptor toxicity effect (MTE) of PAEs. The 3D-QSAR pharmacophore model indicated that hydrophobic groups significantly affected the MTE of PAEs. Based on this, 16 PAEs derivative molecules with significantly decreased comprehensive characterization value (more than 10%) of the toxic effects of multireceptors were designed. Among them, 13 PAEs derivative molecules reduced the toxicity values (predicted by the …


Spectroscopic Investigation Of Defect-State Emission In Cdse Quantum Dots, Gülhan Güleroğlu, Caner Ünlü Jan 2021

Spectroscopic Investigation Of Defect-State Emission In Cdse Quantum Dots, Gülhan Güleroğlu, Caner Ünlü

Turkish Journal of Chemistry

CdSe quantum dots are the most studied Cd-based quantum dots with their high quantum yield, high photostability, narrow emission band, and easy synthesis procedure. They are frequently used to develop light emitting diode (LED) due to their unique photo¬physical properties; however, their narrow emission band causes a challenge to design white LEDs because white light emission requires emission in multiple wavelengths with broad emission bands. Here in this study, we developed CdSe quantum dots with a narrow band-edge emission band and broad defect-state emission band through a modified two-phase synthesis method. Our results revealed that defect-state emission is directly linked …


Synthesis And Characterization Of Magnetic Nanocomposite For In Vitro Evaluation Of Irinotecan Using Human Cell Lines, Tuba Tarhan Jan 2021

Synthesis And Characterization Of Magnetic Nanocomposite For In Vitro Evaluation Of Irinotecan Using Human Cell Lines, Tuba Tarhan

Turkish Journal of Chemistry

In this study, magnetic O-carboxymethyl chitosan (MOCC) nanocomposite was synthesized and characterized as a drug delivery system for loading the anticancer drug irinotecan (CPT-11). To increase the drug loading capacity, MOCC was synthesized by linking the carboxyl group functionally to chitosan. Also, several critical factors such as concentration, the dose of MOCC, and contact time for optimum drug loading condition were investigated. The loading capacity of CPT-11 onto MOCC was calculated as 5.6 mg/g, and the loaded drug concentration was calculated as 0.04787 mM at pH value of 5. Besides, the cytotoxic properties of MOCC, CPT- 11 loaded MOCC (MOCC-CPT-11), …


Removal Of Cod, Aromaticity And Color Of A Pretreated Chemical Producing Industrial Wastewater: A Comparison Between Adsorption, Ozonation, And Advanced Oxidation Processes, Elçi̇n Güneş, Deni̇z İzlen Çi̇fçi̇, Ali̇ Riza Di̇nçer, Yalçin Güneş Jan 2021

Removal Of Cod, Aromaticity And Color Of A Pretreated Chemical Producing Industrial Wastewater: A Comparison Between Adsorption, Ozonation, And Advanced Oxidation Processes, Elçi̇n Güneş, Deni̇z İzlen Çi̇fçi̇, Ali̇ Riza Di̇nçer, Yalçin Güneş

Turkish Journal of Chemistry

A wide range of products are produced in the chemical producing industry such as textile dyes, chemicals, printing dyes and chemicals, paper chemicals, electrostatic powder dyes, and optical brighteners. The aim of this study is to investigate the treatability of chemical oxygen demand (COD), aromaticity, and color in the wastewater of this sector, where highly complex chemicals are used. Most of the studies in the literature are related to the treatment of synthetically prepared dyed wastewater. This study is important as it is carried out with real wastewater and gives results of many treatment methods. In the study, COD, UV-vis …


Evaluation Of The Fuel Cell Performances Of Tio2/Pan Electrospun Carbon-Based Electrodes, Sema Aslan Jan 2021

Evaluation Of The Fuel Cell Performances Of Tio2/Pan Electrospun Carbon-Based Electrodes, Sema Aslan

Turkish Journal of Chemistry

Electrocatalytic effect of the untreated and TiO2+polyacrylonitrile (PAN) modified discarded battery coal (DBC) and pencil graphite electrodes (PGE) were evaluated in fuel cell (FC) applications. TiO2+PAN solution is coated on PGE and DBC electrodes by electrospinning. According to the FESEM and EDS characterizations, TiO2 and PAN nanofibers are found to be approximately 40 and 240 nm in size. TiO2+PAN/PGE showed the best FC performances with 2.00 A cm-2 current density and 5.05 W cm-2 power density values, whereas TiO2+PAN/DBC showed 0.68 A cm-2 current density and 0.62 W cm-2 power density values. Electrochemical characterizations of PGE and TiO2+PAN/PGE electrodes were …


Synthesis And Molecular Docking Study Of Novel Covid-19 Inhibitors, Zuhal Gerçek, Deni̇z Ceyhan, Erol Erçağ Jan 2021

Synthesis And Molecular Docking Study Of Novel Covid-19 Inhibitors, Zuhal Gerçek, Deni̇z Ceyhan, Erol Erçağ

Turkish Journal of Chemistry

In 2020, the world tried to combat the corona virus (COVID-19) pandemic. A proven treatment method specific to Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) is still not found. In this study, seven new antiviral compounds were designed for COVID-19 treatment. The ability of these compounds to inhibit COVID-19's RNA processing was calculated by the molecular docking study. It has been observed that the compounds can have high binding affinities especially against NSP12 (between -9.06 and -8.00 kcal/mol). The molecular dynamics simulation of NSP12-ZG 7 complex proved the stability of interaction. The synthesis of two most active molecules was performed by …


Electrochemical Evaluation Of The Desloratadine At Bismuth Film Electrode In The Presence Of Cationic Surfactant: Highly Sensitive Determination In Pharmaceuticals And Human Urine By Linear Sweep-Cathodic Stripping Voltammetry, Yalçin Altunkaynak, Günay Önal, Abdulkadi̇r Levent Jan 2021

Electrochemical Evaluation Of The Desloratadine At Bismuth Film Electrode In The Presence Of Cationic Surfactant: Highly Sensitive Determination In Pharmaceuticals And Human Urine By Linear Sweep-Cathodic Stripping Voltammetry, Yalçin Altunkaynak, Günay Önal, Abdulkadi̇r Levent

Turkish Journal of Chemistry

In this study, the electrochemical properties of desloratadine, which is in the second generation antihistamines group, were determined by bismuth film electrode (BiFE) in aqueous and aqueous/surfactant solutions. This compound gave an irreversible and diffusion-controlled reduction peak at about -1.65 V by cyclic voltammetry. It was found that the addition of cationic surfactants (cetyltrimethylammonium bromide (CTAB) increased the reduction current signal of desloratadine, while anionic (sodium dodecylsulfate (SDS) and nonionic (Tween 80) surfactants were found to have an adverse effect. Using linear sweep-cathodic stripping voltammetry, the analytical signal showed a linear correlation with a concentration of 0.1 to 4 μM …


Synthesis Of Hydroxy Benzoin/Benzil Analogs And Investigation Of Their Antioxidant,Antimicrobial, Enzyme Inhibition, And Cytotoxic Activities, Nuretti̇n Yayli, Gözde Kiliç, Gonca Çeli̇k, Nuran Kahri̇man, Şeyda Kanbolat, Ari̇f Bozdeveci̇, Şengül Alpay Karaoğlu, Rezzan Ali̇yazicioğlu, Hasan Erdi̇nç Selli̇tepe, İnci̇ Seli̇n Doğan, Ali̇ Aydin Jan 2021

Synthesis Of Hydroxy Benzoin/Benzil Analogs And Investigation Of Their Antioxidant,Antimicrobial, Enzyme Inhibition, And Cytotoxic Activities, Nuretti̇n Yayli, Gözde Kiliç, Gonca Çeli̇k, Nuran Kahri̇man, Şeyda Kanbolat, Ari̇f Bozdeveci̇, Şengül Alpay Karaoğlu, Rezzan Ali̇yazicioğlu, Hasan Erdi̇nç Selli̇tepe, İnci̇ Seli̇n Doğan, Ali̇ Aydin

Turkish Journal of Chemistry

In this study, hydroxy benzoin (1-7), benzil (8-14), and benzoin/benzil-O-β-D-glucosides (15-25) were synthesized to investigate their biological activities. An efficient method for synthesizing hydroxy benzoin compounds (1-7) was prepared from four different benzaldehydes using an ultrasonic bath. Then, antioxidant (FRAP, CUPRAC, and DPPH), antimicrobial (3 Gram (-), 4/6 Gram (+), one tuberculosis and one fungus), and enzyme inhibition (acetylcholinesterase, butyrylcholine esterase, tyrosinase, α-amylase, and α- glucosidase) for the all synthesized compounds (1-25) were evaluated. And also, four most active compounds (4, 12, 18a+b, and 25) from each group were evaluated to the human cervical cancer cell line (HeLa) and anticancer …


Development Of A Functional Impedimetric Immunosensor For Accurate Detection Of Thy-Roid-Stimulating Hormone, Engi̇n Asav Jan 2021

Development Of A Functional Impedimetric Immunosensor For Accurate Detection Of Thy-Roid-Stimulating Hormone, Engi̇n Asav

Turkish Journal of Chemistry

Thyroid-stimulating hormone (TSH), which regulates the synthesis of thyroid gland hormones affecting the whole metabo¬lism, is a pituitary hormone. Determination of TSH is crucial for monitoring thyroid gland-related disorders and some metabolic diseases. In this study, a nonlabeled immunosensor based on covalent immobilization of anti-TSH antibody by using the formation of self-as-sembled monolayers (SAM) of 4-mercaptophenylacetic acid (4-MPA) and functionalization of carboxyl ends with 1-ethyl-3-(3-dimeti-laminopropil) carbodiimide (EDC)/N-Hydroxysuccinimide (NHS) was fabricated for detection of TSH. Immobilization steps including the concentration of 4-MPA, the concentration of anti-TSH antibody, and duration of anti-TSH antibody incubation were optimized by utilizing electrochemical impedance spectroscopy. Under …


Phenolic Compounds, Essential Oil Composition, And Antioxidant Activity Of Angelica Pur-Purascens (Avé-Lall.) Gill, Semra Alkan Türkuçar, Ayça Aktaş Karaçeli̇k, Mustafa Karaköse Jan 2021

Phenolic Compounds, Essential Oil Composition, And Antioxidant Activity Of Angelica Pur-Purascens (Avé-Lall.) Gill, Semra Alkan Türkuçar, Ayça Aktaş Karaçeli̇k, Mustafa Karaköse

Turkish Journal of Chemistry

In this study, methanol extracts (MEs) and essential oil (EO) of Angelica purpurascens (Avé-Lall.) Gill obtained from different parts (root, stem, leaf, and seed) were evaluated in terms of antioxidant activity, total phenolics, compositions of phenolic compound, and essential oil with the methods of 2,2-azino-bis(3ethylbenzo-thiazoline-6-sulfonic acid (ABTS•+), 2,2-diphenyl-1-picrylhydrazil (DPPH•) radical scavenging activities, and ferric reducing/antioxidant power (FRAP), the Folin?Ciocalteu, liquid chromatography- tandem mass spectrometry (LC-MS/MS), and gas chromatography-mass spectrometry (GC-MS), respectively. The root extract of A. Purpurascens exhibited the highest ABTS•+, DPPH•, and FRAP activities (IC50: 0.05 ± 0.0001 mg/mL, IC50: 0.06 ± 0.002 mg/mL, 821.04 ± 15.96 μM TEAC …


Detection Of Bacteria Using Antimicrobial Polymer Derived Via Ring-Opening Metathesis (Romp) Pathway, N Ceren Süer, Tüli̇n Arasoğlu, Hüsnü Cankurtaran, Mustafa Okutan, Markus Gallei, Tarik Eren Jan 2021

Detection Of Bacteria Using Antimicrobial Polymer Derived Via Ring-Opening Metathesis (Romp) Pathway, N Ceren Süer, Tüli̇n Arasoğlu, Hüsnü Cankurtaran, Mustafa Okutan, Markus Gallei, Tarik Eren

Turkish Journal of Chemistry

There is growing interest in the detection of bacteria in consumables, for example, in the food and water sectors. In this study, the aim was to produce a polymer-based bacteria biosensor via ROMP (ring opening metathesis polymerization). In the first part of the study, block and random copolymers were synthesized, and their biocidal activities were tested on the glass surface. Interdigitated electrode arrays coated with the polymers possessing the highest activity were used to screen the affinity towards different bacterial strains by monitoring impedance variations in real-time. The polymer-coated electrode could detect gram-positive and gram-negative bacteria strains at a concentration …


Cytotoxic And Apoptotic Effects Of Hypericum Androsaemum On Prostate Adenocarcinoma(Pc-3) And Hepatocellular Carcinoma (Hep G2) Cell Lines With Identification Of Secondarymetabolites By Lc-Hrms, Nurdan Yazici Bektaş, Ezgi̇ Ersoy, Mehmet Boğa, Tuğçe Boran, Ercan Çinar, Gül Özhan, Ahmet Ceyhan Gören, Esra Eroğlu Özkan Jan 2021

Cytotoxic And Apoptotic Effects Of Hypericum Androsaemum On Prostate Adenocarcinoma(Pc-3) And Hepatocellular Carcinoma (Hep G2) Cell Lines With Identification Of Secondarymetabolites By Lc-Hrms, Nurdan Yazici Bektaş, Ezgi̇ Ersoy, Mehmet Boğa, Tuğçe Boran, Ercan Çinar, Gül Özhan, Ahmet Ceyhan Gören, Esra Eroğlu Özkan

Turkish Journal of Chemistry

The study aims to determine the secondary metabolites of Hypericum androsaemum L. extracts by liquid chromatographyhigh resolution mass spectrometry (LC-HRMS), and investigate the antioxidant and cytotoxic activities of the plant. Cytotoxic activity was evaluated by MTT assay, and apoptosis induction abilities on human prostate adenocarcinoma (PC-3), and hepatocellular carcinoma (Hep G2) cell lines. Accordingly, major secondary metabolites were found as hederagenin (762 ± 70.10 μg/g) in the leaves dichloromethane (LD), herniarin (167 ± 1.50 μg/g) in fruit dichloromethane (FD), (-)-epicatechin (6538 ± 235.36 μg/g) in the leaves methanol (LM), (-)-epigallocatechin gallate (758 ± 20.46 μg/g) in the fruit methanol (FM), …


Antiinflammatory Photodynamic Therapy Potential Of Polyoxyethylene-Substituted Perylene Diimide, Nitrocatechol, And Azo Dye, Özgül Hakli, Kasim Ocakoğlu, Furkan Ayaz Jan 2021

Antiinflammatory Photodynamic Therapy Potential Of Polyoxyethylene-Substituted Perylene Diimide, Nitrocatechol, And Azo Dye, Özgül Hakli, Kasim Ocakoğlu, Furkan Ayaz

Turkish Journal of Chemistry

Photodynamic therapy (PDT) applications enable light-controlled activation of drug candidates instead of their constitutive activities to prevent undesired side effects associated with their constant activities. A specific wavelength of light is utilized to enable electron mobility in the chemical structure, which results in differential activities that may alter cell viability and cellular functions. Canonical photodynamic therapy applications mostly focus on cytotoxicity-based antimicrobial and anticancer properties of the PDT agents. In this study, we focused on subtoxic concentrations of three different molecules containing polyoxyethylene group and examined their antiinflammatory activities on stimulated mammalian macrophages. Stimulated macrophages produce proinflammatory cytokines TNF and …


The Removal Of Chromium (Vi) From Tannery Waste Using Spirulina Sp. Immobilized Silica Gel, Nais Pinta Adetya, Uma Fadzilia Arifin, Emiliana Anggriyani Jan 2021

The Removal Of Chromium (Vi) From Tannery Waste Using Spirulina Sp. Immobilized Silica Gel, Nais Pinta Adetya, Uma Fadzilia Arifin, Emiliana Anggriyani

Turkish Journal of Chemistry

The use of microalgae biomass is an alternative solution to the problem of environmental pollution due to heavy metals, one of which is Cr metal in leather tanning liquid waste. However, the ability of biomass to adsorb heavy metals has limitations. Therefore, the algal biomass is immobilized with silica gel in order to obtain a stable structure. This research aims to study the absorption efficiency of Cr (VI) metal by the biomass of Spirulina sp. which is immobilized with silica gel from the tannery liquid waste. The preparation stages in this study were adsorbent preparation, immobilization of biomass with silica …


Synthesis, Characterization, Cox1/2 Inhibition And Molecular Modeling Studies On Novel 2-Thio-Diarylimidazoles, Zafer Şahi̇n, Meli̇ke Kalkan, Barkin Berk, Leyla Yurttaş, Ceysu Bender, Sevde Nur Bi̇lteki̇n Kaleli̇, Şeref Demi̇rayak Jan 2021

Synthesis, Characterization, Cox1/2 Inhibition And Molecular Modeling Studies On Novel 2-Thio-Diarylimidazoles, Zafer Şahi̇n, Meli̇ke Kalkan, Barkin Berk, Leyla Yurttaş, Ceysu Bender, Sevde Nur Bi̇lteki̇n Kaleli̇, Şeref Demi̇rayak

Turkish Journal of Chemistry

Heterocyclic compounds with diaryl substituents have been a milestone approach for selective cyclooxygenase 2 (COX 2) inhibition by bioisosteric replacements and modifications. It is also known that thiazole derivatives have different pharmacological activities. In this study, nine novel 2-[(1,5-diphenyl-1H-imidazole-2-yl)thio]-N-(thiazole-2-yl)acetamide derivatives (Compound 1-9) were synthesized via the reaction of 1,5-disubstitued phenyl-imidazole-2-thiole and N-thiazole acetamide. The inhibitory effects of COX-1 and COX-2 enzymes were tested for the synthesized compounds. Enzyme-ligand interactions of the most active compound on COX subtypes were elucidated by molecular modeling studies. The percent inhibitory effect for compound 1, which is the naked derivative among all the compounds, was …


High-Resolution Molecular Characterization Of Complex Environmental Mixtures: Aquatic Dissolved Organic Matter And Wildfire-Influenced Aerosol, Amna Ijaz Jan 2021

High-Resolution Molecular Characterization Of Complex Environmental Mixtures: Aquatic Dissolved Organic Matter And Wildfire-Influenced Aerosol, Amna Ijaz

Dissertations, Master's Theses and Master's Reports

The natural environment is replete with organic matter of varying complexities. Whether it is particulate material in the atmosphere, decades old organic matter trapped within glaciers, or biological debris flowing with rivers and streams, natural organic matter (NOM) is exquisitely complex. High-resolution mass spectrometry allows us to have a glimpse of the molecular composition of NOM and delineate the elemental compositions of thousands of chemical species that form it. In this dissertation, the overarching aim was to explore the molecular diversity of complex mixtures from two sources: Surface water and atmospheric organic aerosol. The first objective of this dissertation was …


Synthesis And Catalytic Properties Of Metal-Organic Frameworks Mimicking Carbonic Anhydrase, Longji Li Jan 2021

Synthesis And Catalytic Properties Of Metal-Organic Frameworks Mimicking Carbonic Anhydrase, Longji Li

Mahurin Honors College Capstone Experience/Thesis Projects

The natural enzyme carbonic anhydrase has gained attention in recent years for its ability to catalyze the interconversion of aqueous carbon dioxide (CO2) and bicarbonate. However, it lacks the efficiency to qualify practical usage on a large scale due to its inherent deficiency and fragile nature. On the other hand, its active center can be used as an ideal model for the design of novel catalytic materials targeting carbon dioxide capture and sequestration. This study focused on the synthesis of a zinc-based metal-organic framework (Zn-MOF-1) mimicking the carbonic anhydrase using the solvothermal method. Important properties such as catalytic …


Exploration Of The Use Of Palladium And Nickel To Catalyze Enolate Cross-Coupling And The Enantioselective Mizoroki-Heck Reaction., Mary Elizabeth Sexton (Charlton) Jan 2021

Exploration Of The Use Of Palladium And Nickel To Catalyze Enolate Cross-Coupling And The Enantioselective Mizoroki-Heck Reaction., Mary Elizabeth Sexton (Charlton)

Bryn Mawr College Dissertations and Theses

Palladium catalysis is a common synthetic tool utilized by organic chemists to create carbon-carbon bonds. We utilized palladium to catalyze the γ-arylation of α, β-unsaturated ketones, and esters. This work expands on palladium-catalyzed α-arylation chemistry and extends it to the vinylogous variation at the γ-position. We report the regioselective synthesis of mono-γ-arylated 7-methoxy-4-methylcoumarin. We also report efforts towards applying our reaction conditions to other α,β-unsaturated ketones and esters to expand the scope of our reaction conditions.

In addition, we utilized palladium to catalyze the enantioselective asymmetric intramolecular Mizoroki-Heck reaction to produce potentially bioactive phenanthridinone analogs. We achieve this through the …


Preparation Of Glutathione Loaded Nanoemulsions And Testing Of Hepatoprotectiveactivity On Thle-2 Cells, Ozan Yeşi̇ltepe, Emi̇ne Güler Çeli̇k, Caner Geyi̇k, Zi̇nar Pinar Gümüş, Di̇lek Odaci Demi̇rkol, Hakan Coşkunol, Suna Ti̇mur Jan 2021

Preparation Of Glutathione Loaded Nanoemulsions And Testing Of Hepatoprotectiveactivity On Thle-2 Cells, Ozan Yeşi̇ltepe, Emi̇ne Güler Çeli̇k, Caner Geyi̇k, Zi̇nar Pinar Gümüş, Di̇lek Odaci Demi̇rkol, Hakan Coşkunol, Suna Ti̇mur

Turkish Journal of Chemistry

To improve bioavailability and stability of hydrophobic and hydrophilic compounds, nanoemulsions are good alternatives as delivery systems because of their nontoxic and nonirritant nature. Glutathione (GSH) suffers from low stability in water, where its encapsulation in nanoemulsions is a powerful strategy to its stability in aqueous systems. The aim of this study was to obtain nanoemulsions from the hydrophobic/hydrophilic contents of N. sativa seed oil so as to improve GSH stability along with bioavailability of N. sativa seed oil. Then, the prepared nanoemulsions were tested for in vitro hepatoprotective activity against ethanol toxicity. To the best of our knowledge, there …


Synthesis And Characterization Of Biodegradable Palm Palmitic Acid Based Bioplastic, Abd Al-Wali Japir, Nadia Salih, Jumat Salimon Jan 2021

Synthesis And Characterization Of Biodegradable Palm Palmitic Acid Based Bioplastic, Abd Al-Wali Japir, Nadia Salih, Jumat Salimon

Turkish Journal of Chemistry

This study involves the quantitative analysis of high free fatty acid crude palm oil, the separation of palmitic acid and synthesis of palm palmitic acid-based bioplastic. Synthesis of dimethyl 2-tetradecylmalonate (DMTDM) using methyl palmitate (MP) with sodium hydride (NaH) in the presence of reactive solvent of dimethyl carbonate (DMC) was carried out. The reaction conditions comprise at a mole ratio of MP: DMC: NaH: dimethylformamide (DMF) (0.1:2:0.25:1) at 60 °C for 14 h with 88.3 ± 1.4% yield. FTIR spectra of DMTDM showed the ester carbonyl group at 1740 cm-1. The polymerization of DMTDM with 1,6-hexandiol or 1,12-dodecandiol was carried …


3-Hydroxy-7,8,9,10-Tetrahydro-6h-Benzo[C]Chromen-6-One And 3-Hydroxy-6h-Benzo[C] Chromen-6-One Act As On-Off Selective Fluorescent Sensors For Iron (Iii) Under In Vitro And Ex Vivo Conditions, Karar Shukur, Amirhossein Fallah, Kerem Terali, Rasi̇me Kalkan, Mustafa Gazi, Hayretti̇n Ozan Gülcan Jan 2021

3-Hydroxy-7,8,9,10-Tetrahydro-6h-Benzo[C]Chromen-6-One And 3-Hydroxy-6h-Benzo[C] Chromen-6-One Act As On-Off Selective Fluorescent Sensors For Iron (Iii) Under In Vitro And Ex Vivo Conditions, Karar Shukur, Amirhossein Fallah, Kerem Terali, Rasi̇me Kalkan, Mustafa Gazi, Hayretti̇n Ozan Gülcan

Turkish Journal of Chemistry

Regarding the abundant use of metals for different purposes, it becomes more critical from various scientific and technologi¬cal perspectives to discover novel agents as selective probes for the detection of specific metals. In our previous studies, we have shown that aqueous solutions of natural urolithins (i.e., hydroxyl-substituted benzo[c]chromen-6-one derivatives) are selective Iron (III) sen¬sors in fluorescence assays. In this study, we have extrapolated these findings to another coumarine compound (i.e., 3-Hydroxy-7,8,9,10- tetrahydro-6H-benzo[c]chromen-6-one) and compared the selective metal binding properties with Urolithin B (i.e., 3-Hydroxy-6H-benzo[c]chromen-6-one). Following the synthesis and structure identification studies, the fluorometric studies pointed out that the lactam group …


Surface And Chemical Characteristics Of Platinum Modified Activated Carbon Electrodesand Their Electrochemical Performance, Tuğrul Yumak, Serap Yumak, Abdulkeri̇m Karabulut Jan 2021

Surface And Chemical Characteristics Of Platinum Modified Activated Carbon Electrodesand Their Electrochemical Performance, Tuğrul Yumak, Serap Yumak, Abdulkeri̇m Karabulut

Turkish Journal of Chemistry

Platinum (Pt) loaded activated carbons (ACs) were synthesized by the thermal decomposition of platinum (II) acetylacetonate (Pt(acac)2) over chemically activated glucose-based biochar. The effect of Pt loading on surface area, pore characteristics, surface chemistry, chemical structure, and surface morphology were determined by various techniques. XPS studies proved the presence of metallic Pt0 on the AC surface. The graphitization degree of Pt loaded ACs were increased with the loaded Pt0 amount. The electrochemical performance of the Pt-loaded ACs (Pt@AC) was determined not only by the conventional three-electrode system but also by packaged supercapacitors in CR2032 casings. The capacitive performance of Pt@AC …


Volatile Constituents Of Three Thymus Sipyleus Boiss. Subspecies From Different Sites In Turkey, Hale Gamze Ağalar, Mi̇ne Kürkçüoğlu, Kemal Hüsnü Can Başer, Kenan Turgut Jan 2021

Volatile Constituents Of Three Thymus Sipyleus Boiss. Subspecies From Different Sites In Turkey, Hale Gamze Ağalar, Mi̇ne Kürkçüoğlu, Kemal Hüsnü Can Başer, Kenan Turgut

Turkish Journal of Chemistry

This study was designed to reveal the chemical diversity of some Thymus sipyleus subspecies growing wild in Turkey and to compare the volatile compound profiles by using micro(hydro)distillation technique. For this purpose, volatile compounds isolated by microdistillation from nine samples (three plant samples collected from different regions in Antalya) of Thymus sipyleus Boiss. subsp. sipyleus var. sipyleus, T. sipyleus Boiss. subsp. sipyleus var. davisianus Ronniger, and T. sipyleus Boiss. subsp. rosulans (Borbas) Jalas were analyzed by GC and GC-MS systems. 1,8-Cineole, p-cymene, α-terpineol and carvacrol were identified as major compounds in T. sipyleus subsp. sipyleus var. sipyleus samples. Geranial, neral, …


Philippine Medicinal Plants With Potential Immunomodulatory And Anti-Sars-Cov-2 Activities, Fabian M. Dayrit, Armando M. Guidote Jr, Nina Gloriani, Sheriah Laine M. De Paz-Silava, Irene M. Villaseñor, Rene Angelo S. Macahig, Mario A. Tan, John Ross N. Chua, Isidro C. Sia Jan 2021

Philippine Medicinal Plants With Potential Immunomodulatory And Anti-Sars-Cov-2 Activities, Fabian M. Dayrit, Armando M. Guidote Jr, Nina Gloriani, Sheriah Laine M. De Paz-Silava, Irene M. Villaseñor, Rene Angelo S. Macahig, Mario A. Tan, John Ross N. Chua, Isidro C. Sia

Chemistry Faculty Publications

Coronavirus disease 2019 (COVID-19) continues to devastate the world’s health and economy, affecting all aspects of life leading to widespread social disruption. Even as several vaccines have been developed, their availability in developing countries is limited and their efficacy against the variants of SARS-CoV-2 (severe acute respiratory syndrome–coronavirus 2) needs to be continuously assessed. The World Health Organization (WHO) has acknowledged that vaccines alone will not overcome the global challenges of COVID-19. Medicinal plants may provide the needed support. Herein, we identify Philippine medicinal plants that possess phytochemicals with potential anti-SARS-CoV-2 activity and/or immunomodulatory properties that may strengthen one’s immune …