Physical Sciences and Mathematics Commons^™

Antiviral And Cytotoxic Activities And Chemical Profiles Of Two Species Of Abies Nordmanniana From Türkiye, Nazli Sarikahya, Gaye Sümer Okkali, Furkan Ozan Çöven, Sevda Zeinali̇, Gülce Gucur, Ayşe Di̇la Çağlar, Ece Uyar, Ahmet Ceyhan Gören, Ayşe Nalbantsoy

Turkish Journal of Chemistry

Abies is an important genus of the family Pinaceae, with about 50 species found in the highlands of Asia, Europe, North Africa, and North and Central America. The principal aim of the present work was to investigate the chemical content and biological potential of the resin and cone from Abies nordmanniana subsp. bornmulleriana and Abies nordmanniana subsp. equi-trojani, respectively. The flavonoid and phenolic contents of the resin and cones were evaluated using liquid chromatography-high resolution mass spectrometry (LC-HRMS). Additionally, the essential oil and fatty acid compositions were analyzed using gas chromatography-mass spectrometry (GC-MS) and gas chromatography-flame ionization detector (GC-FID).. Cytotoxicity …

Design And Characterization Of Phosphonic Acid-Functionalized Grafted Sepiolite Nanohybrids And Their Adsorption Studies For Removal Of Copper Ions From Aqueous Solution, Mehwish Tahir, Asif Raza, Amara Nasir, Tariq Yasin, Shamila Imtiaz

Turkish Journal of Chemistry

In this study, we synthesized novel, economically efficient phosphonic acid-functionalized grafted sepiolite nanohybrids for selective elimination of copper ions from water. These nanohybrids were prepared by graft polymerization of glycidyl methacrylate onto sepiolite. We utilized free radical graft polymerization to graft glycidyl methacrylate (GMA) onto silanized sepiolite. The nanohybrids obtained exhibited a grafting percentage of 479% at 0.3 g of KPS initiator, 15% GMA monomer, and after 4 h of reaction. In pursuit of selectively removing metal ions from water, the nanohybrid with the highest grafting (PGE3) was chemically treated with phosphoric acid to introduce phosphonic acid groups on it. …

Effect Of Quince Seed Gum (Qsg) On The Performance Of Injectable Hyaluronic Acid Hydrogels In Terms Of The Rheological, Morphological, And Mechanical Aspect, Serdar Kolay, Ni̇lhan Kayaman Apohan, Erdi̇nç Babuç, Gökay Gün

Turkish Journal of Chemistry

Injectable hydrogels play an important role in tissue engineering as a filling and repairing material. This study aimed to develop a new injectable hydrogel based on hyaluronic acid (HA) and quince seed gum (QSG) and investigate the effect of QSG on hydrogel performance. The amount of unreacted 1,4-Butanediol diglycidyl ether (BDDE) is maintained at an undetectable level for HA-QSG hydrogels. Amino acid analysis showed that the HA-QSG hydrogel had rich amino acid concentrations of leucine, arginine, and valine. After thermal sterilization, the elastic modulus of HA-QSG gels for dermal and intra-articular filler applications is 63 Pa and 92 Pa respectively. …

Dft Modeling Of Water-Assisted Hydrogen Peroxide Formation From A C(4a)-(Hydro)Peroxyflavin, Yilmaz Özkiliç

Turkish Journal of Chemistry

The cofactor of a class A monooxygenase is reduced at an external location of the enzyme and is subsequently pulled back into the active site after the reduction. This observation brings the question; is there any defense mechanism of the active site of a monooxygenase against the formation of the harmful hydrogen peroxide from the reactive C(4a)-(hydro)peroxide intermediate? In this study, the barrier energies of one to three water molecule-mediated uncoupling reaction mechanisms in water exposed reaction conditions were determined. These were found to be facile barriers. Secondly, uncoupling was modeled in the active site of kynurenine 3-monooxygenase complex which …

Rapid Synthesis Of Azoindolizine Derivatives Via Aryldiazonium Salts, Ferruh Lafzi̇

Turkish Journal of Chemistry

A practical, rapid, and efficient method for the synthesis of azoindolizine derivatives via aryldiazonium salts with excellent yields was reported. Firstly, the corresponding aniline derivatives were synthesized via a simple and rapid method. Then, the optimal reaction conditions were investigated using a variety of protic and aprotic solvents that demonstrating the robustness of the approach. Finally, the applicability of this method to various sources of indolizine and phenyldiazonium tetrafluoroborate salts was expanded.

Modeling Exciton Delocalization And Transport In Pdbd-T-2f With The Line-Dipole Improvement For Coupling Calculation, Brian Dvorak

College of Science and Health Theses and Dissertations

A non-atomistic representation of the conjugated polymer PDBD-T-2F was constructed to model exciton delocalization and transport in the material. A Hamiltonian was built in the site basis to model the energy transfer, using excitation energies calculated using density functional theory and inter-site through-space coupling values calculated with either density functional theory or the newly integrated line-dipole approximation. The Hamiltonian allowed calculation of the excitation energies available for each system, prediction of the absorption spectrum, and simulation of the dynamics of exciton transport. For realistic crystal sizes at room temperature, the model predicts a band gap at 1.9 eV with decreasing …

Theoretical Study On The Insertion Reaction Of The Stannylenoid H2snlif With X-H Bonds (X = N, O, F), Shuo Wu, Bingfei Yan, Shaoli Liu, Wenzuo Li

Turkish Journal of Chemistry

The insertion reactions of p-complex (RP) and three-membered ring configuration (RS) of stannylenoid H2SnLiF with NH3, H2O and HF have been studied theoretically by quantum chemical calculation. The structures of reactants, precursors, transition states, intermediates and products have been fully optimized at the M06-2X/def2-TZVP level. The single point energy of all fixed points were calculated using the QCISD method. The calculation results show that the three-membered ring configuration is easier to conduct the insertion reaction. Comparing the reaction energy barriers of RP, RS to NH3, H2O and HF, we found that the difficulty of the insertion reaction is NH3 > H2O …

Senggani Fruit (Melastoma Malabathricum Linn.) Extract As A Natural Indicator In Ph-Responsive Pva-Taro Starch Plastic Packaging, Rika Risma Dewi, Intan Syahbanu, Winda Rahmalia

Turkish Journal of Chemistry

Polyvinyl alcohol (PVA)-starch-based bioplastics are widely used in many applications. pH-responsive plastic packaging was produced through the incorporation of senggani (Melastoma malabathricum Linn.) fruit extract into PVA-taro starch-based plastic packaging. The objective of this research was to examine the characteristics of senggani fruit extract under different pH conditions and explore its application as a pH indicator in intelligent packaging. The senggani fruit was extracted through the maceration method using a solvent comprising 96% ethanol and 3% citric acid, with a ratio of 85:15 (v/v). The senggani fruit extract solution underwent color changes, appearing pink at pH levels below 6, pale …

Heterogeneous Resources In Infrastructures Of The Edge Network Paradigm: A Comprehensive Review, Qusay S. Alsaffar, Leila Ben Ayed

Karbala International Journal of Modern Science

The late 1990s saw the rise of the edge computing network paradigm, as well as an increase in the number of IoT de-vices. This concept is viewed as a link between cloud servers and end-devices, bringing processing and storage re-sources closer to clients. As a result of its low latency and high performance, researchers and developers have expressed interest in it. However, this paradigm confronts a number of obstacles and restrictions, including restricted and hetero-geneous resources at network edges. In this paper, we provide a detailed review of heterogeneous resources in edge network infrastructures using a three-dimensional method. These three …

Nanodysferlins Support Membrane Repair And Binding To Trim72/Mg53 But Do Not Localize To T-Tubules Or Stabilize Ca2+ Signaling, Joaquin Muriel, Valeriy Lukyanenko, Thomas A. Kwiatkowski, Yi Li, Sayak Bhattacharya, Kassidy K. Banford, Daniel Garman, Hannah R. Bulgart, Roger B. Sutton, Noah Weisleder, Robert J. Bloch

Chemistry Faculty Publications

Mutations in the DYSF gene, encoding the protein dysferlin, lead to several forms of muscular dystrophy. In healthy skeletal muscle, dysferlin concentrates in the transverse tubules and is involved in repairing the sarcolemma and stabilizing Ca2+ signaling after membrane disruption. The DYSF gene encodes 7-8 C2 domains, several Fer and Dysf domains, and a C-terminal transmembrane sequence. Because its coding sequence is too large to package in adeno-associated virus, the full-length sequence is not amenable to current gene delivery methods. Thus, we have examined smaller versions of dysferlin, termed "nanodysferlins," designed to eliminate several C2 domains, specifically C2 domains D, …

Clinically Proven Natural Products In Aid Of Treating Parkinson's Disease: A Comprehensive Review, Md Abul Hasan Roni, Md. Abu Bakar Siddique Jami, Sajidul Hoque, Md. Al Hasibuzzaman, Kazi Hamida Banu, Rozina, Farzana Ansari, Md Sohel, Md. Ashifuzzaman, Nazmul Huda

Chemistry Faculty Publications and Presentations

Parkinson's disease (PD) is a neurodegenerative disorder that is caused by degeneration of nerve cells in the part of the brain called the substantia nigra, which controls movement. Although there is some considerable evidence with conventional drugs for PD, treating patients becomes increasingly difficult due to their short- and long-term adverse effects and other restrictions. This dire circumstance emphasizes the need for an innovative, strong alternative treatment for PD. Plants and natural products are considered one of the most important sources of bioactive molecules against a wide range of health disorders. With mechanistic insights, this systematic review explains the efficacy …

Heavy Metals Implications To Sediment Microbiome And Coral Response To Arsenic Dosing, Dimitrios G. Giarikos, Amy Hirons, Jose V. Lopez, Abigail Renegar, Jason Gershman

SECLER Data

No abstract provided.

Complete Genome Sequence Of Strain Jm503a, A Genetically Tractable Dental Abscess Clinical Isolate, Dustin L. Higashi, Anh Nguyen, Hua Qin, Christina Borland, Elizabeth A. Palmer, Nicolas Biais, Jens Kreth, Justin Merritt

Chemistry Faculty Publications and Presentations

Parvimonas micra is a pathobiont of humans that is often found in abundance at sites of mucosal inflammation as well as within malignant tumors. Here, we report the complete genome sequence of P. micra strain JM503A, which is a genetically tractable clinical isolate derived from a human odontogenic abscess specimen.

Production Of The Siderophore Lysochelin In Rich Media Through Maltose-Promoted High-Density Growth Of Lysobacter Sp. 3655, Fang Zhang, Jia Liu, Lin Jiang, Yongbiao Zheng, Lingjun Yu, Liangcheng Du

Chemistry Department: Faculty Publications

Siderophores are produced by bacteria in iron-restricted conditions. However, we found maltose could induce the biosynthesis of the siderophore lysochelin in Lysobacter sp. 3655 in rich media that are not compatible with siderophore production. Maltose markedly promoted cell growth, with over 300% increase in cell density (OD₆₀₀) when LB medium was added with maltose (LBM). While lysochelin was not detectable when OD₆₀₀ in LBM was below 5.0, the siderophore was clearly produced when OD₆₀₀ reached 7.5 and dramatically increased when OD₆₀₀ was 15.0. Coincidently, the transcription of lysochelin biosynthesis genes was remarkably enhanced following the …

A Speleogenetic History Of Novoafonskaya Cave In The Western Caucasus, Olga Chervyatsova, Sergey Potapov, Jonathan Baker, Dmitry Gavryushkin, Victor Polyak, Matt Heizler, Sergey Tokarev, Sergey Sadykov, Roman Dbar, Yuri Dublyansky

International Journal of Speleology

Speleogenesis in hypogene karst settings may be closely tied to regional tectonic dynamics and concomitant hydrochemical evolution of karst waters. However, placing temporal constraints on these processes can require a wider array of field observations and techniques than for typical karst systems. Herein, we present a comprehensive study of Novoafonskaya Cave (Western Caucasus, Abkhazia). The updated speleogenetic history of the cave comprises four stages: (1) the most ancient, a low-T hydrothermal (ca. 40–50°C) priming stage; (2) the main stage enabled by mixing of upwelling thermomineral and locally recharged common karst waters; (3) the late sulfuric-acid speleogenesis (SAS) stage, which left …

Designing Of Human Serum Albumin Nanoparticles For Drug Delivery: A Potential Use Of Anticancer Treatment, Ali Al-Ani, Rasha Alsahlanee

Karbala International Journal of Modern Science

Human serum albumin (HSA) nanoparticles have been widely used as versatile drug delivery systems for improving the efficiency and pharmaceutical properties of drugs. The present study aimed to design HSA nanoparticle encapsulated with the hydrophobic anticancer pyridine derivative (2-((2-([1,1'-biphenyl]-4-yl)imidazo[1,2-a]pyrimidin-3-yl)methylene)hydrazine-1-carbothioamide (BIPHC)). The synthesis of HSA-BIPHC nanoparticles was achieved using a desolvation process. Atomic force microscopy (AFM) analysis showed the average size of HSA-BIPHC nanoparticles was 80.21 nm. The percentages of entrapment efficacy, loading capacity and production yield were 98.11%, 9.77% and 91.29%, respectively. An In vitro release study revealed that HSA-BIPHC nanoparticles displayed fast dissolution at pH 7.4 compared to pH …

Modified Toulmin's Argumentation Model Based On Prior Experiences, Ali Hadi Hasan, Mohamad Ab. Saleh, Ahmed T. Sadiq

Karbala International Journal of Modern Science

Our work focuses on the usefulness of previously stored correct extracted results, which form a sort of stored knowledge got from previous experiences, from enhancing Toulmin's argument model that deals with drug conflict problems in therapeutic diagnostics. New patients are entered using friendly user interface to store in files and then they are matched with the records of previous results, patients’ symptoms and histories datasets which also contain the correct best drugs extracted results. If the new entered record of a patient is matching with any previous record then the correct result of drug will be found immediately and displayed. …

Mechanism Of Nitrone Formation By A Flavin-Dependent Monooxygenase, Sydney B. Johnson, Hao Li, Hannah Valentino, Pablo Sobrado

Chemistry Faculty Research & Creative Works

OxaD is a flavin-dependent monooxygenase (FMO) responsible for catalyzing the oxidation of an indole nitrogen atom, resulting in the formation of a nitrone. Nitrones serve as versatile intermediates in complex syntheses, including challenging reactions like cycloadditions. Traditional organic synthesis methods often yield limited results and involve environmentally harmful chemicals. Therefore, the enzymatic synthesis of nitrone-containing compounds holds promise for more sustainable industrial processes. In this study, we explored the catalytic mechanism of OxaD using a combination of steady-state and rapid-reaction kinetics, site-directed mutagenesis, spectroscopy, and structural modeling. Our investigations showed that OxaD catalyzes two oxidations of the indole nitrogen of …

Nanoparticles As Antioxidant Agents: A Comprehensive Review, Sulyman Olalekan Ibrahim, Halimat Yusuf Lukman, Fatimat Ronke Abdulkadir, Monsurat Yemisi Bello, Yusuf Oloruntoyin Ayipo, Halimah Funmilayo Babamale, Marili Funmilayo Zubair, Olubunmi Atolani

Al-Bahir Journal for Engineering and Pure Sciences

This study seeks to provide a comprehensive overview of the latest progress in the antioxidant properties of nanoparticles. Nanoparticles (NPs) have emerged as a promising tool in several domains of science and industry, including their application as antioxidant agents. The main knowledge gaps seem to be in correctly identifying the make-up of the naturally occurring phytochemicals that give these nano-antioxidants their extraordinary pharmacology and drug-like properties. In many instances, that characterization is done using spectroscopy instrumentation such as fourier-transform Infrared (FT-IR), scanning electron microscope (SEM), and X-ray diffraction analysis (XRD). From literature appraisals, it was discovered that a lot of …

General Chemistry Ii: Chem 2134, Subha Pratihar

ATU Faculty OER Books and Materials

No abstract provided.

Hydrothermal Synthesis Of (C5h14n2)[Cocl4]⸳0.5h2o: Crystal Structure, Spectroscopic Characterization, Thermal Behavior, Magnetic Properties And Biological Evaluation, Sandra Walha, Noureddine Mhadhbi, Basem F. Ali, Abdellah Kaiba, Ahlem Guesmi, Wesam Abd El-Fattah, Naoufel Ben Hamadi, Mark M. Turnbull, Ferdinando Costantino, Houcine Naïli

Chemistry

The organic-inorganic compound (C₅H₁₄N₂)[CoCl₄]⸳0.5H₂O, I, was characterized by various physicochemical techniques. The X-ray diffraction analysis revealed that the compound crystallizes in the centrosymmetric space group C2/c of the monoclinic system. The atomic arrangement the Co(II) complex is built from isolated [CoCl₄]^2– anions, 1-methylpiperazine-1,4-diium [C₅H₁₄N₂]²⁺ cations and free water molecules. The crystal structure study showed that the cohesion of I is assured through N–H···Cl and N–H···O hydrogen bonds giving birth to a 3-D architecture. Hirshfeld surface analysis revealed that Cl···H/H···Cl and …

Development And Applications Of Flexible Piezoelectric Nanogenerators Using Batio3, Pdms, And Mwcnts For Energy Harvesting And Sensory Integration In Smart Systems, Islam Uddin Shipu, Dipasree Bhowmick, Nondon Lal Dey

Chemistry Faculty Publications and Presentations

Mechanical energy is a versatile and accessible green energy source, increasingly harnessed to power small-scale devices via innovative flexible piezoelectric nanogenerators (F- PNGs). These devices convert mechanical energy into electricity using lightweight materials such as Barium Titanate (BaTiO3), poly dimethyl siloxane (PDMS), and multi-walled carbon nanotubes (MWCNTs). In this design, BaTiO3 nanoparticles were embedded in a composite film with PDMS and MWCNTs, sandwiched between two copper electrodes. The BaTiO3/PDMS/MWCNT composite PENGs, synthesized for this study, produce an output voltage of ∼8 V through periodic cyclic beating. This represents an increase of about 16% compared to the PENGs without MWCNT doping. …

Moss Biomonitoring Of Lead Emissions From Hillsboro Airport, Daria Kolpakov

University Honors Theses

The objective of this experiment was to use biomonitoring as a method to determine lead concentration levels around Hillsboro Airport in Hillsboro, Oregon. Twenty-two samples were collected within a 2 km radius around Hillsboro Airport using a randomized sampling strategy. The concentrations of lead within the samples were determined using ICP-MS. The average lead concentration was (2.8 ± 5.0) mg/kg with a peak value of 21.6 mg/kg 0.57 km from Hillsboro Airport. As the average lead concentration was substantially skewed, Hillsboro Airport is likely to be the source of the lead increase.

Predicting Rheology Of Uv-Curable Nanoparticle Ink Components And Compositions For Inkjet Additive Manufacturing, Cameron D. Lutz

Master's Theses

Inkjet additive manufacturing is the next step toward ubiquitous manufacturing by enabling multi-material printing that can exhibit various mechanical, electronic, and thermal properties. These characteristics are realized in the careful formulation of the inks and their functional materials, but there are many constraints that need to be satisfied to allow optimal jetting performance and build quality when used in an inkjet 3-D printer. Previous research has addressed the desirable rheology characteristics to enable stable drop formation and how the metallic nanoparticles affect the viscosity of inks. The contending goals of increasing nanoparticle-loading to improve material deposition rates while trying to …

Spectroscopic Characterization, Dft Calculations, In Vitro Pharmacological Potentials, And Molecular Docking Studies Of N, N, O-Schiff Base And Its Trivalent Metal Complexes, Ikechukwu P. Ejidike, Amani Direm, Cemal Parlak, Adebayo A. Adeniyi, Mohammad Azam, Athar Ata, Michael O. Eze, Joshua W. Hollett, Hadley S. Clayton

Michigan Tech Publications, Part 2

In this study, trivalent metal complexes of the category: [M(L)(H2O)nCly] obtained from the interaction of metal3+ ion salts with organic N, N, O-Schiff base (HL) (where: HL = 4-{(Z)-((2-{(E)-((2-hydroxyphenyl)methylidene)amino}ethyl)imino)methyl}-2-methoxyphenol; n, y = 1 or 2 and M = Ti(III), Fe(III), Ru(III), Cr(III) and Al(III)) were synthesized and characterized viz molar conductance, FT-IR, and UV–Vis spectroscopies, elemental analyses, thermal analyses (TGA and DTA), and UV–Vis spectroscopy, theoretical calculations. A distorted octahedral structure around the metal ions was proposed based on the obtained experimental and calculated data. Thermal examination of the complexes signposts the step-by-step disintegration to give the final decomposition product …

Positron Emission Tomography In Oncology And Environmental Science, Samantha Delaney

Dissertations, Theses, and Capstone Projects

The last half century has played witness to the onset of molecular imaging for the clinical assessment of physiological targets. While several medical imaging modalities allow for the visualization of the functional and anatomical properties of humans and living systems, few offer accurate quantitation and the ability to detect biochemical processes with low-administered drug mass doses. This limits how physicians and scientists may diagnose and treat medical issues, such as cancer, disease, and foreign agents.

A promising alternative to extant invasive procedures and suboptimal imaging modalities to assess the nature of a biological environment is the use of positron emission …

Synthesis Of Dyes Sulfamidazole: Characterization, Evaluation, Molecular Docking And Global Descriptors By Density Functional Theory (Dft)., Athra G. Sager, Jawad Kadhim Abaies, Zeena R. Katoof

Karbala International Journal of Modern Science

In the present work, novel azo compounds of sulfamidazole were created via the reaction of diazonium salt of sulfamidazole with several aromatic molecules including (resorcinol, 2-nitro phenol, 3-nitro phenol, and 4-nitro phenol)) (Z1–Z4). The new compounds (Z1-Z4) were identified using FTIR, ¹HNMR techniques, in addition to melting point measurements. The biological activity of compounds (Z1-Z4) was studied against four kinds of bacteria including E. coli, Klebsiella pneumonia, Salmonella, and Staphylococcus aureus. The findings showed that all compounds (Z1-Z4) were active against the examined bacteria. Theoretical studies of the antibacterial ability of the prepared compound against DNA gyrase enzyme …

2-Tertbutylfuran At 550 And 700 K: A Multiplexed Photoionization Mass Spectrometric Investigation And Determination Of Cross Sections Of A Carbon- Bromine Bond And Various Brominated Organic Compounds, Ameyali Tapia

Master's Theses

This thesis presents the combustion study of 2-tertbutylfuran (2-TBF) in reaction with atomic oxygen (O(3P)). Data was collected at the Advanced Light Source (ALS) of the Lawrence Berkeley National Lab, using tunable vacuum ultraviolet radiation coupled with a multiplexed mass spectrometer to acquire the data. These data were taken at low pressures of 7 and 8 torr at temperatures of 550 K and 700 K, respectively. Primary products of the system were identified and characterized, while reaction pathways of the products are currently being studied to ensure thermodynamic feasibility. Branching fractions of the system were also calculated, to view the …

Anion Binding And Sensing Using Cs124-Sensitized Luminescent Terbium Complexes, Alessandro Rizzi, Minhee Lee, Wade Grabow, Olivia Brooks, Helena Nguyen, Neal Yakelis, Clarisse Vanderfeltz

Honors Projects

Two terbium complexes with varying degrees of intramolecular coordination, Tb:DO2A-Cs124 and Tb:DOTA-Cs124, were prepared. Their capacity to detect biologically and environmentally relevant anions through their luminescence changes was investigated. Tb:DOTA-Cs124 demonstrated exceptional selectivity as a sensor for nitrite, while Tb:DO2A-Cs124 detects nitrite, phosphates, and a range of carboxylate-containing anions.

Molecular-Level Studies Of Nanopatterned Biomolecules With Atomic Force Microscopy, Ashley R. Walker

LSU Doctoral Dissertations

Atomic force microscopy (AFM) is an analytical technique in which a tipped probe is gently scanned across the surface in a raster pattern to generate digital images of a sample at the nanoscale. The AFM instrument has three general operational modes, which are contact, non-contact and tapping-mode, that can be used to examine materials at the atomic level. Single-molecular details of biological molecules and other soft organic materials can be captured with minimal denaturation in either ambient or liquid environments when using tapping-mode AFM. In tapping-mode, the probe is driven to oscillate vertically while the tip is scanned across the …