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Synthesis, Characterization, Computational Analyses, In Silico Admet Studies, And Inhibitory Action Against Sars-Cov-2 Main Protease (Mpro) Of A Schiff Base, Songül Şahi̇n, Necmi̇ Dege

Turkish Journal of Chemistry

COVID-19 disease caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) has struck the whole world and raised severe health, economic, and social problems. Many scientists struggled to find a vaccine or an antiviral drug. Eventually, both vaccines and recommended drugs, repurposed drugs, or drug combinations were found, but new strains of SARS-CoV-2 continue to threaten human life and health. As part of the fight against COVID-19 disease, this study involves an in silico molecular docking analysis on the main protease (Mpro) of SARS-CoV-2. To this aim, a Schiff base compound was synthesized and characterized using spectroscopic techniques, including X-ray, …

A Study Of Silicon And Germanium-Based Molecules In Terms Of Solar Cell Devices Performance, Emi̇ne Taniş

Turkish Journal of Chemistry

Photovoltaic energy sources are increasingly in demand due to the cost of petroleum fuels and concerns about carbon emissions. For this reason, it is important to determine the photovoltaic properties of the compounds that are thought to be suitable for these energy sources. Here, 1,1,2,3,4,5-Hexaphenyl-1H-silole (HPS) and 1,1,2,3,4,5-Hexaphenyl-1H-germole (HPG) compounds that are thought to have excellent photovoltaic properties, electronic and charge transport properties were investigated experimentally and theoretically. The total energies, absorption spectra, Fermi energy (E_fl) and work function (φ), maximum open circuit voltage (V_OC), reorganization energies (λ_e and λ_h), frontier molecular orbital …

Ytterbium Oxide Nanofibers: Fabrication And Characterization For Energy Applications, Adem Sarilmaz

Turkish Journal of Chemistry

Metal oxide nanomaterials are widely used in many applications of renewable energy. Ytterbium oxide (Yb₂O₃) also attracts attention due to its similar structure to ZnO (~3,26 eV) and TiO₂ (~3,36 eV) in terms of bandgap energy. In this study, Yb₂O₃ belonging to the lanthanide oxide family was produced as nanofiber forms by using the electrospinning technique, which allows for large-scale production, for the first time. The morphological, structural, optical, and phase properties of the produced nanofibers were investigated via XRD, SEM-Mapping, TEM, FTIR, UV-Vis, and XPS characterization techniques. As a result of …

Release Of Nifedipine, Furosemide, And Niclosamide Drugs From The Biocompatible Poly(Hema) Hydrogel Structures, Bahar Yilmaz

Turkish Journal of Chemistry

The primary aim of this article was to improve the solubility and bioavailability of the drugs nifedipine, niclosamide, and furosemide due to their poor solubility and dissolution rate. Therefore, these drugs require improvement in solubility and dissolution rate in formulation development, especially in solid dosage forms such as hydrogels and capsules. Hydrogel structures were synthesized by using a biocompatible, nontoxic, and protective pure 2-hydroxy ethyl methacrylate (HEMA) monomer. These hydrogel structures were characterized by various techniques such as scanning electron microscopy and Fourier-transformed infrared spectroscopy. In the next step, drug molecules were loaded in the poly (HEMA) hydrogels. Drug releases …

Insight Into Electrochemical Degradation Of Cartap (In Padan 95sp) By Boron-Doped Diamond Electrode: Kinetic And Effect Of Water Matrices, Hoang Nguyen

Turkish Journal of Chemistry

In this work, the kinetic electrochemical degradation of Cartap (CT) (in Padan 95 SP) at boron-doped diamond (BDD) electrode was investigated. This study indicated that the degradation of CT underwent both direct and indirect oxidations. Water matrices can either accelerate or inhibit the removal efficiency of CT: adding 15 mM Cl^- improved k_CT from 0.039 min^-1 to 0.054 min^-1 (increased by 38%), while k_CT decreased by 61.5% and 64% when increasing the concentration of HCO₃^- and humic acid (HA) to 15 mM and 15 mg L^-1, respectively. CT degradation was inhibited …

Assessment Of Environmental Pollutants At Trace Levels Using Ionic Liquids-Based Liquid-Phase Microextraction, Furkan Uzcan, Muhammad Saqaf Jagirani, Mustafa Soylak

Turkish Journal of Chemistry

Sample preparation is the crucial and most challenging part of analytical chemistry for the speciation of environmental pollutants' traces. Along with the development of the sample preparation methods, the ionic liquid-based microextraction technique plays an important role. Due to the unequivocally unique "green" characteristic of ionic liquids (ILs), they owe their tunable properties, such as highly selective and high reaction efficiency, reusability, and good thermal stability, to present advancements in the sample preparation process. The ionic liquid-based microextraction techniques miniaturize the sample preparation process. Liquid phase microextraction intermediate solvents, desorption solvent extractants, and mediators have been used. They are quoting …

Virus Detection Using Bio-Based Analysis Systems: A Review Of Biorecognition Strategies, Nur Meli̇s Kiliç, Di̇lek Odaci Demi̇rkol

Turkish Journal of Chemistry

Infectious illnesses are on the rise in today's world, with serious consequences for animals, plants, and humans. Several infections, including the human immunodeficiency virus, affect a large number of individuals in various countries, particularly in the poorer portions of contemporary society, and continue to cause a variety of health problems. Viruses are tiny parasitic organisms. They are infectious agents that can only reproduce within a live cell of an organism. Viruses may infect any living organism. For clinical pointof- care applications, early detections for harmful agents such as bacteria, viruses are critical. The possibility of worldwide epidemics as a result …

Silver Nanoparticles (Agnps) Based Selective Colorimetric Sensor For The Detection Of D-Arabinitol In A Urine Sample, Yuni Retnaningtyas, Siswandono Siswodihardjo, Ari Satia Nugraha

Turkish Journal of Chemistry

D-arabinitol is a sugar alcohol that is a typical metabolite of Candida species. The hydroxy group owned by D-arabinitol can function as a reducing agent that can reduce Ag⁺ to AgNPs. The resulting colloid is further stabilized by the addition of a capping agent. The capping agent used in this study was a combination of chitosan 1%(w/w) and PEG 6000 1% (w/w) (2:1) v/v. The formation of AgNPs causes an increase in the surface plasmon resonance spectra of the colloid solution at a wavelength of 430 nm with a slight blue shift. At the same time, the color of …

A Molecularly Imprinted Polymer As Solid Phase Extraction Sorbent For Ketoprofen Determination In Water And Artificial Serum Prior To Hplc, Eli̇f Gürel Özyurt, Ömer Özyurt, Yekta Arya Ölçer Altinsoy, Ahmet Emi̇n Eroğlu, Ezel Boyaci, Talal Shahwan

Turkish Journal of Chemistry

Ketoprofen (KET) is an active pharmaceutical compound that has pain relieving and antipyretic effects. Its determination in body fluids and environmental waters is important due to widespread use of the compound. In this study, a selective and reliable method has been developed for the determination of ketoprofen in water and artificial serum using molecularly imprinted polymers (MIPs) as a solid phase extraction sorbent prior to HPLC-DAD detection. The MIP was synthesized by copolymerization of methacrylic acid (MAA) and trimethylpropane trimethacrylate (TRIM) in the presence of ketoprofen as the template. For the sake of comparison, nonimprinted polymer (NIP) was also synthesized …

Thermal Versus Photochemical Tautomerization Of Cytosine And Guanine: A Blyp Computational Study Along The Irc Curves, Tsvetina Cherneva, Vassil Delchev

Turkish Journal of Chemistry

We performed a theoretical study, at the BLYP/aug-cc-pVDZ theoretical level, of the mechanisms of H-transfer between biologically relevant tautomers of cytosine and guanine. The analysis of the ground- and excited state energy barriers of the conversions showed that in some cases they are lower as compared to the ground state reactions. The inclusion of one water molecule as a catalyst in the oxo-amino form of cytosine and guanine drastically changes the mechanism of the reactions in the ground as well as in the excited state. For example, the ground state reaction path of cytosine reduces the energy barrier from 165 …

Miscibility And Thermal Behavior Of Poly(Methyl Methacrylate) And Polystyrene Blend Using Benzene As A Common Solvent, Arshiya Iqbal, Jamil Muhammad, Farzana Ahmad, Mohsan Nawaz, Musa Kaleem Baloch, Luqman Mohammad

Turkish Journal of Chemistry

Polymer blending is one of the advanced technologies to attain polymeric material with tailored properties. In this work, the miscibility of Poly(methyl methacrylate) (PMMA) and Polystyrene (PS) blend in benzene was investigated by employing various techniques such as FTIR spectroscopy, viscosity measurement technique, light scattering techniques, DSC and TGA techniques over an extended range of concentrations, compositions, and temperatures. The results revealed that there exist hydrogen bonding and hydrodynamic interactions which led these polymers to get miscible to a large extent. The compatibility increased with the increasing PS contents or increase in temperature of the system. In addition, the thermal …

Synthesis, Characterization, And Antimicrobial Evaluation Of Polyvinylalcohol-Osthol Composite Films, Ishrat Gowsia, Feroz Mir, Javid Banday

Turkish Journal of Chemistry

Although poly-vinyl alcohol (PVA) has certain mechanical drawbacks such as a weak barrier, it has widely been used in food packaging over the last many years. To increase the suitability of PVA (C₂H₄O)n and render it ideal for food packaging, a diversity of studies have already been carried out. In the below-mentioned script, we, for the first time, report the use of natural product osthol in making a new composite with PVA for enhancing thermal, physicochemical, and antimicrobial properties. The significant aim of the report is the insertion of osthol (C₁₅H₁₆O_{3 …}

Dft / Tddft Insights Into Excited State Intra-Molecular Hydrogen Atom Transfer Mechanism In Liqcoumarin: An Efp1 Study, Kandigowda Jagadeesha, Yelechakanahally Lingaraju Ramu, Mariyappa Ramegowda

Turkish Journal of Chemistry

The theoretical calculations were carried out on Liqcoumarin (LC) and its water complex LC+(H20)4-[LCH] at the ground (S0) / first excited states (S1) by employing density functional theory (DFT) / state specific time-dependent density functional theory (SS-TDDFT). In LC and LCH, there is an intra-molecular hydrogen bond between hydroxyl group and acetyl group along with four inter-molecular hydrogen bonds in the hydrated molecule. The computational studies of molecular structural parameters, electrostatic potential, NBO analysis, molecular orbital's, and UV-Vis spectra of both molecules under polar solvents were explored by B3LYP / 6-31G (d,p) / PCM / EFP1 method. The intra-molecular hydrogen …

Synthesis Of Benzoyl Hydrazones Having 4-Hydroxy-3,5-Dimethoxy Phenyl Ring, Theirbiological Activities, And Molecular Modeling Studies On Enzyme Inhibition Activities, Bedri̇ye Seda Kurşun Aktar, Yusuf Sicak, Gi̇zem Tatar, Emi̇ne Elçi̇n Emre

Turkish Journal of Chemistry

Hydrazone compounds have high capacity in terms of antioxidant activity and enzyme inhibition activities such as anticholinesterase, tyrosinase, and urease. In this study, benzoyl hydrazones compounds (7a-7m) were synthesized starting from 3,5-dimethoxy-4-hydroxybenzaldehyde. Antioxidant activity of the synthesized compounds was evaluated. In the β-carotene-linoleic acid and ABTS cation radical scavenging activities, compounds 7j, 7e, and 7m stood out as the most active compounds, respectively. In the anticholinesterase enzyme inhibition activity results, compound 7f exhibited the best activity against AChE and BChE enzymes in the synthesis series. In addition, molecular docking analysis was performed to understand the inhibition mechanism of the synthesized …

The Investigation Of Fluorescence And Metal Interaction Properties Of Racemic 7,8,9,10-Tetrahydro-3-Hydroxy-4-(1-Hydroxyethyl)Benzo[C]Chromen-6-One, Hayretti̇n Ozan Gülcan, Kharar Tawfeeq Shukur, Açelya Mavi̇deni̇z, Okan Si̇rkeci̇oğlu, Mustafa Gazi̇

Turkish Journal of Chemistry

The design or investigation of fluorescence probes continues to receive attention with respect to the diverse applications of spectrofluorometry. Depending on the highly sensitive character, fluorescence spectroscopy-based methodologies have been widely used in recent years in different sciences, including analytical, environmental, and medicinal chemistry areas. In our previous works, we have shown the iron (III) selective on-off sensor properties of benzo[c]chromen-6-one derivatives. In this study, we have extrapolated this research to 4-substituted analogues and investigated both fluorescent and metal interaction properties. Following the synthesis and structure identification studies, (±)-7,8,9,10-tetrahydro-3-hydroxy-4-(1-hydroxyethyl)benzo[c]chromen-6-one was found as a fluorescent molecule displaying fluorescence enhancement in the …

Chromatographic Evaluation Of Tocols And Sterols Of Processed Canola Oil And Deodorizerdistillate, Hadia Shoaib, S. Tufail Sherazi, Saba Naz, Dr Sarfaraz Ahmed Mahesar, Abdul Rauf Khaskheli, Siraj Uddin, Ahmed Raza Sidhu, Hami̇de Fi̇li̇z Ayyildiz, Hüseyi̇n Kara, Mustafa Topkafa

Turkish Journal of Chemistry

Tocopherols and tocotrienols in the combined form are known as tocols. Changes of total and individual tocols and sterols concentration of canola oil and deodorizer distillate (DD) during different processing stages were evaluated with the application of gas chromatography (GC) and high-performance liquid chromatography (HPLC). For sterols analysis, GC coupled with flame ionization detector (FID) was used while tocols in canola oil samples and DD, normal phase (NP) HPLC was applied. The results of the present study indicated that levels of total and individual tocols and sterols content were decreased during processing (neutralization to deodorization). Deodorization was found to be …

Clerodendrum Serratum Extract Attenuates Production Of Inflammatory Mediators Inovalbumin-Induced Asthma In Rats, Poonam Arora, Shahid Hamid Ansari, Lalit Mohan Nainwal

Turkish Journal of Chemistry

In the present study, ethanolic extract of Clerodendrum serratum roots was investigated for its potential to reverse some features of bronchial asthma in ovalbumin-induced murine model of asthma. Clerodendrum serratum commonly called bharangi, (family Solanaceae) is a well-known anti-allergic drug in Asian folk system of medicines. In the present work, pharmacological studies are done to provide scientific evidence for therapeutic potential of plant in allergic asthma. Asthma was induced in experimental rats with allergen suspension of ovalbumin and aluminum hydroxide followed by treatment with dexamethasone (2.5 mg/kg, po) or C. serratum root extract (0.53 and 5.3 mg/kg, b. w., po). …

Thermodynamic And Kinetic Study Of Adsorptive Removal Of Lead By The Nanocompositeloaded Nanofibers, Urwa Mahmood, Sharjeel Abid, Bilal Qadir, Ahsan Nazir, Tanveer Hussain

Turkish Journal of Chemistry

Herein, the fabrication of electrospun nanocomposites, using polyacrylonitrile nanofibers (PNF) modified with nanobentonite and fly ash, is explained. Further, the use of electrospun adsorbent for the remediation of Pb (II) ions from water has been explored. Pristine PNF and nanocomposites were characterized using SEM, EDX, and FTIR to analyze surface topology, elemental composition, and functional groups, respectively. The adsorptive behavior of developed adsorbents was investigated using the effects of dosage, initial concentration, time, and temperature. Pseudo-second order kinetics fit well with experimental data and the adsorption followed intra-particle diffusion. The thermodynamics study confirmed spontaneous endothermic adsorption of the heavy metal. …

Soil Literature Research Project, Kathryn Currey

Natural Sciences Student Research Presentations

TOPIC OVERVIEW : TOXINS IN SOILS AND HEALTH OF HUMANS

• Soil contamination happens all the time as a result of various causes, that can be purposeful or accidental (Soil Science Society of America, np). Some common examples of ways that soil is contaminated is through mining, waste disposal and oil drilling, (Misachi, John).

• Soil contamination and a large presence of toxins present in soils from across the world has harmed our planet, the animals and the humans on it (Soil Science Society of America, np).

• For this project I am going to discuss toxins due to soil …

Soil Health, Laini Flessner

Natural Sciences Student Research Presentations

My literature research topic looks at the remediation of soil, specifically through phytoremediation. Phytoremediation is a method of decontaminating soil by using plants that filter out or degrade pollutants (Rahim and Koh 2).

Soils Project, Teagan Wuethrich

Natural Sciences Student Research Presentations

With the mass production of plastic materials throughout the world there is not only significant impacts towards marine life, but also terrestrial environments because of plastic pollution. These plastic products are non-biodegradable and only break down into tiny microscopic pieces of plastic. These microscopic plastics pollute the grounds and soils us humans depend on.

Soils Project, Corinne Wolf

Natural Sciences Student Research Presentations

There are several well known impacts of climate change on our planet, such rising sea levels or warming temperatures. However, I wanted to explore a way in which climate change could potentially impact soils.

Soil & Forensic Analysis, Devan Bianchini

Natural Sciences Student Research Presentations

What is forensic analysis?

• Work done by forensic scientists to analyze evidence found at crime scenes and outside evidence tied to a crime (“Forensic Science”)
• An analysis method used to aid law enforcement in criminal investigations and in a court room to prove whether a criminal suspect is innocent or guilty of committing a crime (“Forensic Science”)

How can soil be used in forensic analysis?

• By forensic scientists in trace evidence examination (“Forensic Science”), a method of forensic analysis examining microscopic traces of evidence, such as soil particles found at or on evidence from a crime scene (“Trace Evidence Analysis”) …

Soils Project, Kelsie Pitcher

Natural Sciences Student Research Presentations

My primary research article discussed the importance of soil damping. The research question is "What's the importance of soil damping for tall buildings?" (Gómez et al. 1). This is a process that can create stability (Gómez et al.). Soil damping can prevent weakening of structures overtime caused by severe weather conditions. (Gómez et 3). Soil damping is a form of energy dissipation allowing the structure to be more stable when experiencing things like high winds and intense weather conditions (Gómez et al. 5).

Soil Contamination Due To Nuclear Testing, Animesh Jha

Natural Sciences Student Research Presentations

Why this topic:

• Nuclear contamination has long term effects (cdc.gov)
• Australia and the U.S. took land from indigenous peoples to conduct nuclear tests (Rapaport, Hughes)
• Give idea of whether indigenous peoples can return to their lands safely

Establishing Pteridine Metabolism In A Breast Cancer Cell Model And Quantification Of Silver Nanoparticle Interactions With Yeast Cells Using Mass Spectrometry, Lindsey Katherine Rasmussen

Doctoral Dissertations

"Recent advances in analytical methods have furthered the quantitative insights that can be gleaned from cellular analyses, with applications in cancer and nanoparticle research. In the first part of the research presented, a recently developed HPLC-MS/MS method was advanced to elucidate pteridine metabolism in an isogenic progressive MCF10A breast cancer cell model. The folate-derived pteridine pathway in breast cells was established by individually dosing cell cultures with folic acid and 15 pteridines. Eight potential pteridine biomarkers in breast cancer cells were identified including pterin and isoxanthopterin, which yielded the first in vitro evidence for the cellular metabolisms behind previously reported …

Capillary Electrophoresis: Method Development And Application In Biomolecule Analysis, Lindsay Marie Veltri

Graduate Theses, Dissertations, and Problem Reports (ETD)

Abstract

Capillary Electrophoresis: Method Development and Application in Biomolecule Analysis

Lindsay Veltri

Biomolecule analysis is essential in disease diagnostics and the development of therapeutic agents. There is a vast array of methods available for biomolecule analysis, however, capillary electrophoresis is well-suited due to minimal sample consumption (~nanoliters of solution) and fast analysis times. In this report, capillary electrophoresis was used to analyze glycosylation of therapeutic proteins. Additionally, a capillary electrophoresis-mass spectrometry method is reported for the analysis of proteins.

Post-translation protein modifications like glycosylation, play an important in protein structure and function. Modifications of protein glycosylation can lead to improved …

Electrochemistry Of Bubbles: Developing New Sensors, Promoting Gas Evolution Reactions, And Extraction Of Rare Earth Elements, Ruchiranga R. Ranaweera

Wayne State University Dissertations

This dissertation presents new analytical, electrocatalysis, and separation strategies that utilize bubble behaviors in different electrochemical systems. The first part of this dissertation focuses on the method development for PFAS preconcentration and detection. First, we present the bubble-nucleation-based electrochemical method for the selective and sensitive detection of surfactants. Our method utilizes the high surface activity of surfactant analytes to affect the electrochemical bubble nucleation and then transduces the change in nucleation condition to an electrochemical signal for determining the surfactant concentration. Using this method, we demonstrate the quantitation of perfluorinated surfactants in water, a group of emerging environmental contaminants, with …

Microfluidic Thermal Gel Electrophoresis For Native Protein Analysis, Shakila Hasanthika Peli Thanthri

Wayne State University Dissertations

Proteins must be in their native states to carry out their intended biological functions. Native protein structure requires that proteins be folded into the correct conformations and possess the necessary post-translational modifications (PTMs). These higher-order structures are critical to ensuring that proteins are biologically active and properly interact with neighboring molecules. However, assessing folding conformations and modified protein variants is challenging, and routine sample validation techniques like polyacrylamide gel electrophoresis (PAGE) are not capable of analyzing higher-order structures. Gradient PAGE gels can determine the molecular weight of proteins over a wide mass range, but protein separation resolutions are poor because …

College Of Natural Sciences Newsletter, January 2022, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volume 3, Issue 1

Page 1 Dean's Message
Page 2 Awards & Recognition
Page 3 Outreach in Harrisburg, SD
Page 4 Geography Alumni Named Among 'Highly Cited Researchers', 53rd Annual Geography Convention
Page 5 Geography Convention Speakers, Brookings/SDSU Day
Page 6 Media Coverage of Natural Sciences
Page 7 Open PRAIRIE Data
Page 8 Fall 2021 Dean's List
Page 9 Fall 2021 Dean's List, cont.