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2021

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Articles 1291 - 1320 of 1742

Full-Text Articles in Chemistry

Adsorption Of Hydrogen Gas On Polymorphic Zirconium Dioxide Surfaces, Monrada Petchmark Jan 2021

Adsorption Of Hydrogen Gas On Polymorphic Zirconium Dioxide Surfaces, Monrada Petchmark

Chulalongkorn University Theses and Dissertations (Chula ETD)

Adsorption of hydrogen gas on polymorphic zirconium dioxide (ZrO2) surfaces including cubic, tetragonal and monoclinic phase denoted by c-ZrO2(111), t-ZrO2(101) and m-ZrO2(111), respectively has been investigated using the periodic density functional theory (DFT) calculation. The stabilities of perfect and oxygen vacancy defective ZrO2 surfaces are in orders: c-ZrO2(111) > t-ZrO2(101) > m-ZrO2(111) and [c-ZrO2(111)+VO] > [t-ZrO2(101)+VO] > [m-ZrO2(111)+VO], respectively. The abilities of hydrogen adsorption on perfect and oxygen vacancy defective ZrO2 surfaces are in orders: [c-ZrO2(111)+VO] (∆Eads = –4.13 eV) > [m-ZrO2(111)+VO] (∆Eads = –3.31 eV) > [t-ZrO2(101)+VO] (∆Eads = –2.91 eV) > c-ZrO2(111) (∆Eads = –1.89 eV) > m-ZrO2(111) (∆Eads = –1.67 eV) > t-ZrO2(101) (∆Eads = –0.27 …


Effect Of Electric Field On Molecular And Electronic Structures Of Graphene With 4n-Divacancy Defect And Application On Hydrogen Gas Storage, Thanawit Kuamit Jan 2021

Effect Of Electric Field On Molecular And Electronic Structures Of Graphene With 4n-Divacancy Defect And Application On Hydrogen Gas Storage, Thanawit Kuamit

Chulalongkorn University Theses and Dissertations (Chula ETD)

The effect of external electric fields (EEFs) on geometries and electronic properties of graphene quantum dots (GQDs) and m-4N-divacancy defect GQDs (m-4N-GQDs) was studied using density functional theory (DFT) method with M06-2x functional and 6-31g (d) basis set. An external electric field with strength ranging from -0.035 to 0.035 atomic units (a.u.) was applied normal to the molecular plane. Three different sizes, i.e., C24H12, C54H18, and C96H24, were investigated. The metal doping in m-4N-GQDs consists of Ca, Ca2+, Cr, Cr2+, Fe, and Fe2+. Our results revealed that GQDs and m-4N-GQDs are curved under EEFs in the direction opposite to the …


การวิเคราะห์ปัจจัยสำหรับการเกิดคราบบนแม่พิมพ์ระหว่างวัลคาไนเซชันยางด้วยการออกแบบการทดลองเชิงแฟกทอเรียล, สิรีธร อุตมโชติ Jan 2021

การวิเคราะห์ปัจจัยสำหรับการเกิดคราบบนแม่พิมพ์ระหว่างวัลคาไนเซชันยางด้วยการออกแบบการทดลองเชิงแฟกทอเรียล, สิรีธร อุตมโชติ

Chulalongkorn University Theses and Dissertations (Chula ETD)

ในอุตสาหกรรมการผลิตชิ้นส่วนยางพบปัญหาจากการเกิดชิ้นงานที่มีจุดบกพร่อง เช่น พอง ฉีกขาด แผล และคราบ โดยชิ้นงานที่เป็นคราบ คือ ชิ้นงานที่ผิวที่ไม่เรียบและต้องหยุดการผลิตเพื่อนำแม่พิมพ์ไปทำความสะอาด ทำให้ต้นทุนการผลิตเพิ่มขึ้น สาเหตุของการเกิดคราบถูกนำมาวิเคราะห์ด้วยวิธีการออกแบบการทดลองเชิงแฟกทอเรียลเพื่อหาความสำคัญทางสถิติของแต่ละตัวแปร โดยตัวแปรที่ศึกษาได้แก่ เวลาที่ใช้ในการขึ้นรูป ปริมาณซิงค์ออกไซด์ ปริมาณแคลเซียมคาร์บอเนต และอัตราส่วนโดยน้ำหนักของน้ำยาถอดแบบต่อน้ำปราศจากไอออน จากผลการทดลองเชิงแฟกทอเรียล พบว่าเวลาที่ใช้ในการขึ้นรูปและอัตราส่วนโดยน้ำหนักของน้ำยาถอดแบบต่อน้ำปราศจากไอออน คือ ตัวแปรสำคัญที่ทำให้ชิ้นงานเกิดคราบ เนื่องจากการใช้เวลาในการขึ้นรูปที่นานขึ้น ทำให้ยางเกิดระดับการวัลคาไนเซชันเพิ่มขึ้น ซึ่งทำให้แรงยึดติดระหว่างชิ้นงานกับแม่พิมพ์ลดลง ส่งผลให้ทำให้มีคราบที่เกิดขึ้นลดลง และเมื่ออัตราส่วนโดยน้ำหนักของน้ำยาถอดแบบต่อน้ำปราศจากไอออนที่ 1:100 พบว่ามีชิ้นงานที่เป็นคราบลดลง เนื่องจากน้ำยาถอดแบบทำให้ผิวของแม่พิมพ์มีความลื่น จึงทำให้ไม่มีสิ่งตกค้างหลงเหลืออยู่ที่สามารถนำไปสู่การเกิดคราบบนผิวของแม่พิมพ์ได้ โดยแนวโน้มของการเกิดคราบต่อการปรับเปลี่ยนเวลาในการขึ้นรูปและอัตราส่วนของน้ำยาถอดแบบได้มาจากการทดลองเชิงเดี่ยว พบว่าเมื่อเวลาการขึ้นรูปมากขึ้นจาก 350 ไปเป็น 450 วินาที และอัตราส่วนโดนน้ำหนักของน้ำยาถอดแบบต่อน้ำปราศจากไอออนจาก 1:450 ไปเป็น 1:250 ทำให้มีชิ้นงานที่เป็นคราบลดลง


Recently Developed Carbohydrate Based Gelators And Their Applications, Joedian Morris, Jonathan Bietsch, Kristen Bashaw, Guijun Wang Jan 2021

Recently Developed Carbohydrate Based Gelators And Their Applications, Joedian Morris, Jonathan Bietsch, Kristen Bashaw, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Carbohydrate based low molecular weight gelators have been an intense subject of study over the past decade. The self-assembling systems built from natural products have high significance as biocompatible materials and renewable resources. The versatile structures available from naturally existing monosaccharides have enriched the molecular libraries that can be used for the construction of gelators. The bottom-up strategy in designing low molecular weight gelators (LMWGs) for a variety of applications has been adopted by many researchers. Rational design, along with some serendipitous discoveries, has resulted in multiple classes of molecular gelators. This review covers the literature from 2017-2020 on monosaccharide …


Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee Jan 2021

Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

Through the research presented herein, it is quite clear that there are two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type A, such as glycolysis and the tricarboxylic acid cycle, apparently follows the second law well; Type B, as exemplified by the thermotrophic function with transmembrane electrostatically localized protons presented here, does not necessarily have to be constrained by the second law, owing to its special asymmetric function. This study now, for the first time, numerically shows that transmembrane electrostatic proton localization (Type-B process) represents a negative entropy event with a local protonic entropy …


Synthesis Of Carbohydrate Based Macrolactones And Their Applications As Receptors For Ion Recognition And Catalysis, Surya B. Adhikari, Anji Chen, Guijun Wang Jan 2021

Synthesis Of Carbohydrate Based Macrolactones And Their Applications As Receptors For Ion Recognition And Catalysis, Surya B. Adhikari, Anji Chen, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Glycomacrolactones exhibit many interesting biological properties, and they are also important in molecular recognitions and for supramolecular chemistry. Therefore, it is important to be able to access glycomacrocycles with different sizes and functionality. A new series of carbohydrate-based macrocycles containing triazole and lactone moieties have been designed and synthesized. The synthesis features an intramolecular nucleophilic substitution reaction for the macrocyclization step. In this article, the effect of some common sulfonate leaving groups is evaluated for macrolactonization. Using tosylate gave good selectivity for monolactonization products with good yields. Fourteen different macrocycles have been synthesized and characterized, of which eleven macrocycles are …


Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder Jan 2021

Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder

Chemistry & Biochemistry Faculty Publications

Photodynamic therapy (PDT) is a medicinal tool that uses a photosensitiser and a light source to treat several conditions, including cancer. PDT uses reactive oxygen species (ROS) such as cytotoxic singlet oxygen 1O2 to induce cell death in cancer cells. Chemotherapy has historically utilized the cytotoxic effects of many metals, especially transition-metal complexes. However, chemotherapy is a systemic treatment so all cells in a patient's body are exposed to the same cytotoxic effects. Transition metal complexes have also shown high cytotoxicity as PDT agents. PDT is a potential localized method for treating several cancer types by using inorganic …


The Role Of Oxygen In Stimulating Methane Production In Wetlands, Jared L. Wilmoth, Jeffra K. Schaefer, Danielle R. Schlesinger, Spencer W. Roth, Patrick G. Hatcher, Julie K. Shoemaker, Xinning Zhang Jan 2021

The Role Of Oxygen In Stimulating Methane Production In Wetlands, Jared L. Wilmoth, Jeffra K. Schaefer, Danielle R. Schlesinger, Spencer W. Roth, Patrick G. Hatcher, Julie K. Shoemaker, Xinning Zhang

Chemistry & Biochemistry Faculty Publications

Methane (CH4), a potent greenhouse gas, is the second most important greenhouse gas contributor to climate change after carbon dioxide (CO2). The biological emissions of CH4 from wetlands are a major uncertainty in CH4 budgets. Microbial methanogenesis by Archaea is an anaerobic process accounting for most biological CH4 production in nature, yet recent observations indicate that large emissions can originate from oxygenated or frequently oxygenated wetland soil layers. To determine how oxygen (O2) can stimulate CH4 emissions, we used incubations of Sphagnum peat to demonstrate that the temporary exposure of …


Synthesis And Characterization Of A Two Station Starburst Pseudorotaxane, Janaka Prasad Kaviraj Kavikarage Jan 2021

Synthesis And Characterization Of A Two Station Starburst Pseudorotaxane, Janaka Prasad Kaviraj Kavikarage

Masters Theses

Mechanically interlocked molecules (MIMs) are arranged with mechanical bonds. These molecules cannot be separated without breaking the required covalent bonds. There are different kinds of MIMs, such as rotaxanes, catenanes, suitanes, borromean rings, and molecular knots. These MIMs are stabilized by non-covalent interactions such as hydrogen bonds, π-π stacking, and ion-dipole interactions. Dialkylammonium ions, bis(pyridinium)ethane dications, viologen species, and naphthalene diimide π-deficient groups are typical examples of recognition motifs for crown ethers.

In the research described here, we synthesized a new axle, based on a combination of benzobis(imidazolium) (BBI) and viologen species. The axle contains two recognition sites: one is …


A Novel Palladium Bodipy Photocatalyst For Sonogashira Carbon-Carbon Cross-Coupling, Prahadeesh Nagaretnam Jan 2021

A Novel Palladium Bodipy Photocatalyst For Sonogashira Carbon-Carbon Cross-Coupling, Prahadeesh Nagaretnam

Masters Theses

No abstract provided.


Multiplexed Nucleic Acid Sensing With Single Molecule Fret, Anisa Kaur Jan 2021

Multiplexed Nucleic Acid Sensing With Single Molecule Fret, Anisa Kaur

Theses and Dissertations

In recent years, biomarkers have drawn tremendous interest in the fields of clinical diagnostics and biotechnology. In fact, recent quests for biomarker analyses have discovered a myriad of disease-related biomarkers spanning a wide variety of biomolecules such as proteins, nucleic acids, and small molecule ligands. While the detection of only one target at a time is the most common practice in biosensing today, it has been shown that the accuracy of diagnosis increases significantly by measuring the level of multiple biomarkers instead of just one due to the possible overlap of certain biomarkers in more than one disease. However, currently …


Single Molecule Investigations Of Holliday Junction Binding Protein Ruva, Dalton Reed Gibbs Jan 2021

Single Molecule Investigations Of Holliday Junction Binding Protein Ruva, Dalton Reed Gibbs

Theses and Dissertations

DNA breaks are inevitable as they mainly occur due to cells’ own reactive oxygen species (ROS). While DNA breaks can be single-stranded or double-stranded, the double-stranded DNA (dsDNA) breaks are more dangerous. If such damage is not repaired, it can lead to genetic instability and serious health issues including cancers. One way dsDNA breaks can be repaired is via a process called homologous recombination (HR), which involves several DNA-binding proteins. Therefore, to have a better insight into the repair mechanism and origin of repair defects, we need a better understanding of how these proteins interact with DNA itself and DNA …


Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon Jan 2021

Information Architecture For A Chemical Modeling Knowledge Graph, Adam R. Luxon

Theses and Dissertations

Machine learning models for chemical property predictions are high dimension design challenges spanning multiple disciplines. Free and open-source software libraries have streamlined the model implementation process, but the design complexity remains. In order better navigate and understand the machine learning design space, model information needs to be organized and contextualized. In this work, instances of chemical property models and their associated parameters were stored in a Neo4j property graph database. Machine learning model instances were created with permutations of dataset, learning algorithm, molecular featurization, data scaling, data splitting, hyperparameters, and hyperparameter optimization techniques. The resulting graph contains over 83,000 nodes …


Computational Study Of Radical Cation Rearrangements, Mi'kayla D. Word Jan 2021

Computational Study Of Radical Cation Rearrangements, Mi'kayla D. Word

Theses and Dissertations

A radical cation is a molecule that has one unpaired electron that holds a positive charge. The unpaired electron within a radical cation causes the molecule to be reactive. The high reactivity of these species allows for radical cations to be commonly studied experimentally using mass spectrometry and other multi-mass imaging techniques. However, these methods often cannot resolve the reaction mechanisms for these fast reactions. Specifically, radical cation rearrangement mechanisms are particularly unresolved within experiments. For this reason, radical cation rearrangements are computationally investigated to explain complex reaction pathways for processes to understand reactions leading to the initiation of detonation …


Multiple Objective Optimization Of Air Assisted Liquid-Liquid Microextraction Combined With Solidified Floating Organic Drop Microextraction For Simultaneous Determination Of Trace Copper And Nickel, Fereshteh Islami-Bonab, Sanaz Sajedi-Amin, Saeed Mohammad Sorouraddin, Simin Maleknia, Abdolhossein Naseri Jan 2021

Multiple Objective Optimization Of Air Assisted Liquid-Liquid Microextraction Combined With Solidified Floating Organic Drop Microextraction For Simultaneous Determination Of Trace Copper And Nickel, Fereshteh Islami-Bonab, Sanaz Sajedi-Amin, Saeed Mohammad Sorouraddin, Simin Maleknia, Abdolhossein Naseri

Turkish Journal of Chemistry

he impact of rising levels of various heavy metals in the environment from multiple industrial, agriculture, domestic, and technological activities is of great concerns, as heavy metals cause serious health effects for both humans and wildlife. An effective and green chemistry procedure was used for simultaneous extraction of ultra-trace copper and nickel ions in natural waters (e.g. river and well waters) by air assisted liquid-liquid microextraction combined with solidified floating organic drop microextraction (AALLME-SFOD). The extraction of metal ions was conducted in a timescale of several minutes by conversion to metal chelates using sodium diethyldithiocarbamate (DDTC) as a chelating agent …


Remarkable Bismuth-Gold Alloy Decorated On Mwcnt For Glucose Electrooxidation: The Effect Of Bismuth Promotion And Optimization Via Response Surface Methodology, Ömer Faruk Er, Berdan Ulaş, Hi̇lal Demi̇r Kivrak Jan 2021

Remarkable Bismuth-Gold Alloy Decorated On Mwcnt For Glucose Electrooxidation: The Effect Of Bismuth Promotion And Optimization Via Response Surface Methodology, Ömer Faruk Er, Berdan Ulaş, Hi̇lal Demi̇r Kivrak

Turkish Journal of Chemistry

In this study, the carbon nanotube supported gold, bismuth, and gold-bismuth (Au/MWCNT, Bi/MWCNT, and Au-Bi/ MWCNT) nanocatalysts were prepared with NaBH4 reduction method at varying molar atomic ratio for glucose electrooxidation (GAEO). The synthesized nanocatalysts at different Au: Bi atomic ratios are characterized via x-ray diffraction (XRD), transmission electron microscopy (TEM), and N2 adsorption-desorption. For the performance of AuBi/MWCNT for GAEO, electrochemical measurements are performed by using different electrochemical techniques namely cyclic voltammetry (CV), linear sweep voltammetry (LSV), chronoamperometry (CA), and electrochemical impedance spectroscopy (EIS). Monometallic Au/MWCNT exhibits higher activity than Bi/MWCNT with 256.57 mA/mg (0.936 mA/cm2) current density. According …


Synthesis And Characterization Of Benzodioxinone Mono-Telechelics And Their Use In Block Copolymerization, Cumali̇ Çeli̇k Jan 2021

Synthesis And Characterization Of Benzodioxinone Mono-Telechelics And Their Use In Block Copolymerization, Cumali̇ Çeli̇k

Turkish Journal of Chemistry

Poly(methyl methacrylate) (PMMA) and poly(ethylene glycol) methyl ether (mPEG)-based monotelechelics were quantitatively prepared by copper (I)-catalyzed azide/alkyne cycloaddition (CuAAC) click reactions using azido-terminated polymers and alkyne functional benzodioxinones. The monotelechelic containing dimethyl moities (2,2-dimethyl-5-(prop-2-yn-1-yloxy)-4H-benzo[d][1,3]dioxin-4-one) was heat-sensitive, whereas the monotelechelic containing diphenyl moieties (2,2-diphenyl-5-(prop-2-yn-1-yloxy)-4H-benzo[d][1,3]dioxin-4-one) was UV light sensitive. Based on the FT-IR, 1 H-NMR, and GPC investigations, the CuAAC click reactions enable the quantitative syntheses of monotelechelics under mild conditions. Moreover, the photosensitive mPEG-based monotelechelic was further utilized for the block copolymer synthesis upon UV-light irradiation. The photoinduced acylation of mPEG monotelechelic consist of (2,2-diphenyl-5-(prop-2-yn-1-yloxy)-4H-benzo[d][1,3]dioxin-4-one) in the presence of hydroxy-terminated poly(epsilon …


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 …


Turkish Perlite Supported Nickel Oxide As The Heterogeneous Acid Catalyst For A Series Of Claisen?Schmidt Condensation Reactions, Sakshi Kabra Malpani, Deepti Goyal, Stuti Katara, Ashu Rani Jan 2021

Turkish Perlite Supported Nickel Oxide As The Heterogeneous Acid Catalyst For A Series Of Claisen?Schmidt Condensation Reactions, Sakshi Kabra Malpani, Deepti Goyal, Stuti Katara, Ashu Rani

Turkish Journal of Chemistry

Potentially active and eco-friendly solid acid catalysts have been synthesized by loading different weight percentages (10, 15, and 50) of nickel oxide on thermally activated Turkish perlite through the deposition-precipitation method. Structural features of prepared catalysts were analyzed using BET surface area analysis, X-ray diffraction, scanning electron microscope (SEM), SEM-EDX, transmission electron microscopy (TEM), Fourier-transform infrared (FT-IR), pyridine adsorbed FT-IR, UV-Vis diffuse reflectance spectroscopy (DRS), and thermogravimetric analysis (TGA) techniques. Pyridine adsorbed FT-IR analysis confirmed the presence of the optimum amount of Bronsted acidic sites in a catalyst having 15 wt. % loading of nickel oxide, which was tested for …


Fibroin Nanofibers Production By Electrospinning Method, Derya Saltik Çi̇rki̇n, Meti̇n Yüksek Jan 2021

Fibroin Nanofibers Production By Electrospinning Method, Derya Saltik Çi̇rki̇n, Meti̇n Yüksek

Turkish Journal of Chemistry

Silk fibroin, which has many characteristic properties such as low inflammation reaction, biodegradation, suppleness, good antithrombogenic details, biocompatibility and high tensile strength is a very good candidate for biomedical applications. Electrospinning procures high surface area, porous, nanofiber dimension fiber generation, which is a plain method. An experimental study was carried out to produce nanofiber structure from silk fibroin by electrospinning and the electrospinning parameters for the spinning of uniform, continuous and silk fibroin fibers were optimized. As a result, the effect of variables of concentration, distance and applied voltage on the strength, thickness, surface structure, fiber diameter of nanomaterial was …


Hybrid Paper Sheets With Improved Barrier Properties, Çağla Söz Jan 2021

Hybrid Paper Sheets With Improved Barrier Properties, Çağla Söz

Turkish Journal of Chemistry

Hybrid paper sheets were prepared by applying a thin coating layer of cross-linked polydimethylsiloxane (PDMS) and inorganic particles onto Whatman Grade 1 filter paper substrates. Several coatings with different inorganic particle contents and types were applied onto the paper substrates to investigate the effect of the variation in the coating formulation on the (i) wetting, (ii) water barrier properties, (iii) air barrier properties, (iv) surface roughness, and (v) mechanical properties of the samples. It was revealed that the superhydrophobic hybrid paper sheets with significantly low air permeability and high water barrier properties could be prepared which is an indication that …


Preconcentration Of Rifampicin Prior To Its Efficient Spectroscopic Determination In The Wastewater Samples Based On A Nonionic Surfactant, Afaq Ullah Khan, Faheem Shah, Rafaqat Ali Khan, Bushra Ismail, Asad Muhammad Khan, Haji Muhammad Jan 2021

Preconcentration Of Rifampicin Prior To Its Efficient Spectroscopic Determination In The Wastewater Samples Based On A Nonionic Surfactant, Afaq Ullah Khan, Faheem Shah, Rafaqat Ali Khan, Bushra Ismail, Asad Muhammad Khan, Haji Muhammad

Turkish Journal of Chemistry

Every year, tuberculosis affects the lungs of millions of people and rifampicin is the commonly used medicine for its treatment due to its antibiotic nature. The frequent use of rifampicin may lead to its increased concentration in the water resources. This research work is focused on the cloud point extraction (CPE) procedure for the preconcentration of rifampicin prior to its determination in water. The UV/vis spectrophotometric method was adapted for the measurement of rifampicin content after the phase separation. Triton-X 100 was used as the nonionic surfactant which contains hydrophilic polyethylene chain feasible for the extraction of analyte. Various analytical …


Theoretical Investigation On The Addition Reaction Of The Germylenoid H2gelicl With Acetone, Xiaolin Zhang, Bingfei Yan, Wenzuo Li Jan 2021

Theoretical Investigation On The Addition Reaction Of The Germylenoid H2gelicl With Acetone, Xiaolin Zhang, Bingfei Yan, Wenzuo Li

Turkish Journal of Chemistry

In this work, theoretical calculations were performed on the addition reaction of the germylenoid H2GeLiCl with acetone. The DFT M06-2X method was used to optimize the geometries of the whole stationary points on the potential energy surfaces and the QCISD method to calculate the single-point energy. The results reveal that the addition reaction of H2GeLiCl with acetone firstly generates an oxagermacyclopropane c-H2GeOC(CH3)2 and then c-H2GeOC(CH3)2 further reacts with acetone along two possible pathways, pathway I and pathway II, in which the 2,4-dioxagermolane is formed at the end of pathway I and 2,5-dioxagermolane is formed at the end of pathway II, …


Structural Rearrangement Of Neisseria Meningitidis Transferrin Binding Protein A (Tbpa) Prior To Human Transferrin Protein (Htf) Binding, Gi̇zem Nur Duran, Mehmet Özbi̇l Jan 2021

Structural Rearrangement Of Neisseria Meningitidis Transferrin Binding Protein A (Tbpa) Prior To Human Transferrin Protein (Htf) Binding, Gi̇zem Nur Duran, Mehmet Özbi̇l

Turkish Journal of Chemistry

Gram-negative bacterium Neisseria meningitidis, responsible for human infectious disease meningitis, acquires the iron (Fe3+) ion needed for its survival from human transferrin protein (hTf). For this transport, transferrin binding proteins TbpA and TbpB are facilitated by the bacterium. The transfer cannot occur without TbpA, while the absence of TbpB only slows down the transfer. Thus, understanding the TbpA-hTf binding at the atomic level is crucial for the fight against bacterial meningitis infections. In this study, atomistic level of mechanism for TbpA-hTf binding is elucidated through 100 ns long all-atom classical MD simulations on free (uncomplexed) TbpA. TbpA protein underwent conformational …


Feature Of Catalysis On Bimetallic Alloys Zr With V, Mo, And Fe In The Reaction Of Methanol Oxidation, Arif Efendi, Lala Magerramova, Adila Aliyeva, Lyudmila Kozharova, Elmir Babayev Jan 2021

Feature Of Catalysis On Bimetallic Alloys Zr With V, Mo, And Fe In The Reaction Of Methanol Oxidation, Arif Efendi, Lala Magerramova, Adila Aliyeva, Lyudmila Kozharova, Elmir Babayev

Turkish Journal of Chemistry

Catalytic behaviors of bimetallic catalysts-alloys of zirconium with vanadium, molybdenum, and iron was investigated in the oxidative dehydrogenation of methanol. The conditions for the formation of the catalyst's active surface were revealed. The conversion of methanol into formaldehyde, dimethyl ether, and dimethoxymethane on bimetallic catalysts was studied. The characterization of catalysts was performed by XRD, XPS, and SEM. It was shown that the activity of samples increases after O2 + H2 treatment and was associated with segregation of the active components of alloys (V, Mo) on the surface of catalysts and realization of their optimal oxidation state under catalysis conditions.


Adsorptive Performance Of Mwcnts For Simultaneous Cationic And Anionic Dyes Removal; Kinetics, Thermodynamics, And Isotherm Study, Zaheer Aslam, Irfan Yousaf, Abdul Zahir, Adnan Akhtar Jan 2021

Adsorptive Performance Of Mwcnts For Simultaneous Cationic And Anionic Dyes Removal; Kinetics, Thermodynamics, And Isotherm Study, Zaheer Aslam, Irfan Yousaf, Abdul Zahir, Adnan Akhtar

Turkish Journal of Chemistry

Disposal of contaminated wastewater causes many serious problems especially when it gets mixed with the ground and seawater. It is, therefore, important to apply any remedial action to eradicate dangerous pollutants from the aqueous effluents and to avoid exposure of this wastewater to aquatic life. The research results discussed herein deal with the removal of Rhodamine B (RhB) and Congo Red (CR) dye from wastewater by using multi-walled carbon nanotubes (MWCNTs) as an adsorbent. Different factors like solid dosage, initial pH and concentration, time, and temperature were studied to understand the behavior and mechanism of adsorption. The maximum adsorption capacity …


Green Biosynthesis, Characterization, And Cytotoxic Effect Of Magnetic Iron Nanoparticles Using Brassica Oleracea Var Capitata Sub Var Rubra (Red Cabbage) Aqueous Peel Extract, Ömer Erdoğan, Sali̇h Paşa, Gülen Meli̇ke Demi̇rbolat, Özge Çevi̇k Jan 2021

Green Biosynthesis, Characterization, And Cytotoxic Effect Of Magnetic Iron Nanoparticles Using Brassica Oleracea Var Capitata Sub Var Rubra (Red Cabbage) Aqueous Peel Extract, Ömer Erdoğan, Sali̇h Paşa, Gülen Meli̇ke Demi̇rbolat, Özge Çevi̇k

Turkish Journal of Chemistry

The green method of nanoparticle synthesis, which is an environment and living-friendly method, is an updated subject that has appeared as an alternative to conventional methods such as physical and chemical synthesis. In this presented study, the green synthesis of magnetic iron oxide nanoparticles (IONPs) from iron (III) chloride by using Brassica oleracea var. capitata sub.var. rubra aqueous peel extract has been reported. The prepared IONPs were characterized with fourier-transform infrared spectroscopy (FT-IR), ultraviolet-visible spectroscopy (UV-VIS), zeta potential, scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). The cytotoxic effects of IONPs on MCF-7 breast cancer cell line were studied …


Ultrasound Assisted Supramolecular Liquid Phase Microextraction Procedure For Sudan Iat Trace Level In Environmental Samples, Mustafa Soylak, Özgür Özalp, Furkan Uzcan Jan 2021

Ultrasound Assisted Supramolecular Liquid Phase Microextraction Procedure For Sudan Iat Trace Level In Environmental Samples, Mustafa Soylak, Özgür Özalp, Furkan Uzcan

Turkish Journal of Chemistry

A method based on supramolecular liquid phase microextraction has been developed for the preconcentration and determination of trace levels of Sudan I. 1-decanol and tetrahydrofuran were used as supramolecular solvent components. Trace levels of Sudan I were extracted into the extraction solvent phase at pH = 4.0 Analytical parameters such as pH value, supramolecular solvent volume, ultrasonication, centrifugation, model solution volume, matrix effects have been optimized. The limit of detection and the limit of quantification values for Sudan I were calculated as 1.74 μg L-1 and 5.75 μg L-1, respectively. In order to determine the accuracy of the method, addition …


Advances In Polymer Based Friedlander Quinoline Synthesis, Rajendra Patil, Jagdish Chavan, Shivnath Patel, Anil Beldar Jan 2021

Advances In Polymer Based Friedlander Quinoline Synthesis, Rajendra Patil, Jagdish Chavan, Shivnath Patel, Anil Beldar

Turkish Journal of Chemistry

Nitrogen containing heterocyclic compounds has acquired their remarkable and distinct place in the wide area of organic synthesis due to the broad range of applications. Among them, quinoline motifs have attracted researchers in the synthetic chemistry because of its presence in the large number of pharmacologically active compounds. Different methods for synthesis of quinoline derivatives are reported, among them the Friedlander synthesis have provided comparatively more efficient approach. Many of the reported conventional Friedlander methodologies have some problems such as difficult product isolation procedures, poor yields and use of expensive catalysts, etc. Recently, polymer or solid supported synthetic approaches have …


Laccase Bound To Cryogel Functionalized With Phenylalanine For The Decolorization Oftextile Dyes, Işik Perçi̇n Demi̇rçeli̇k, Yusuf Doruk Aracagök, Nesli̇han İdi̇l, Adi̇l Deni̇zli̇, Bo Mattiasson Jan 2021

Laccase Bound To Cryogel Functionalized With Phenylalanine For The Decolorization Oftextile Dyes, Işik Perçi̇n Demi̇rçeli̇k, Yusuf Doruk Aracagök, Nesli̇han İdi̇l, Adi̇l Deni̇zli̇, Bo Mattiasson

Turkish Journal of Chemistry

In this study, amino acid functionalized poly(2-hydroxyethyl methacrylate-N-methacrylolyl-l-phenylalanine) [PHEMAPA] cryogel discs were prepared. In this respect, phenylalanine containing N-methacryloyl-(L)-phenylalanine methyl ester (MAPA) was polymerized with 2-hydroxyethyl methacrylate (HEMA) without requirement of any activation step. Laccase bound poly(2-hydroxyethyl methacrylate-N-methacryloyl-l-phenylalanine) [Lac-PHEMAPA] cryogel discs were applied for decolorization of Reactive Blue-247 (RB-247). The ability of Lac-PHEMAPA cryogel discs on dye decolorization was found to be as 90% in 2 h and even more within 4h. The decolorization activities of 86% and 73% were observed at relatively low (4°C) and high (60°C) temperatures, respectively. The effect of dye concentration on dye decolorization and 100% …