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Forensic Characterization And Comparison Of Modern Nail Polish Products By Their Physical Features And Chemical Composition, Madison Meredith Lindung

Graduate Theses, Dissertations, and Problem Reports (ETD)

Nail polish can serve as valuable evidence in forensic investigations as it is often found on the hands and feet of individuals. Nail polish can break off and transfer easily during self-defense actions or forceful contact, such as in cases of kidnapping, sexual assault, or homicide. These residues can provide clues about who was at the scene, as well as where, when, and how the event evolved. However, compared to other types of paints commonly analyzed in forensic laboratories, limited forensic research has been conducted on the chemical composition and discrimination capabilities of popular nail products. The lack of information …

Development And Applications Of Capillary Vibrating Sharp-Edge Spray Ionization Coupled With Atmospheric Pressure Chemical Ionization (Cvssi-Apci), Madison Elizabeth Pursell

Graduate Theses, Dissertations, and Problem Reports (ETD)

Mass spectrometry (MS) is a technique that is used in fields in which both complex and non-complex mixtures are analyzed. The state-of-the-art ion sources that are utilized for MS are being demonstrated to be functional for direct infusion of samples as well as for use with online separations. However, ion sources, such as electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) can encounter problems such as ion suppression and an inability to ionize based on size and/or polarity, respectively. Further these sources are bulky and require gas flow, heat sources, and additional high voltage power supplies for optimal performance. …

Rational Design Of Small Molecules Targeting Mitochondrial Redox Proteins, Matheus Barbosa Belchior

Graduate Theses, Dissertations, and Problem Reports (ETD)

Reactive oxygen species play a crucial role in many cellular processes. Despite being a natural byproduct of cellular metabolism, overexpression of these species causes damage to the cell, leading to cell dysfunction. Central to the regulation of these highly reactive molecule is the mitochondria. Impairment in its function has been associated with oxidative stress within the cell. Herein, a ligand-based and structure-based approach to design new small molecules to inhibit mitochondrial redox proteins associated with oxidative stress and reactive oxygen species. In the first project two molecules were synthesized and characterized as potential monoamine oxidase B inhibitors. Results showed two …

Individual And Collective Properties Of Tunable Photochemical Belousov-Zhabotinsky Micro-Reactors, Kudakwashe Benedict Shumba

Graduate Theses, Dissertations, and Problem Reports (ETD)

Cell-like model chemical systems are powerful tools that can be used to explore the role of intercellular coupling on population level behaviors in communities of biological cells. Firstly, we present a new method for fabricating such micro-reactors using the photosensitive Belousov–Zhabotinsky (BZ) reaction system employed in silica microparticles. These BZ micro-reactors have a tunable response to photochemical coupling, varying from a fully excitatory response to a fully inhibitory response. Their response can be tuned through variations in either the reactive mixture or, on an individual micro-reactor level, by changes in the synthesis temperature used during the fabrication of the silica …

Introduction Of Polar Functional Groups To Pyridinedipyrrolide Zirconium Photosensitizers Through Post-Synthetic Modifications, Marisa Nicole Tordella

Graduate Theses, Dissertations, and Problem Reports (ETD)

Photosensitizers are vital components to applications such as photoredox catalysis, photodynamic therapy, and various avenues of solar energy production. The abilities of transition metal photosensitizers containing precious metals have been well studied over the years. However, because of the growing scarcity of these metals, there has been a shift in finding more earth abundant alternatives. To help fill this gap in the literature, the Milsmann group has developed and studied the photophysical properties of Zr(IV) complexes with various ligand systems. Due to the electron deficient metal center, these complexes exhibit ligand-to-metal charge transfer (LMCT), unlike the metal-to-ligand charge transfer commonly …

Towards Developing Glut2 Specific Probes For Biochemical And Biomedical Applications, Abdelrahman Ismail

Dissertations, Master's Theses and Master's Reports

Facilitated Glucose transporters (GLUTs) are membrane proteins responsible for the uptake of simple sugars and other structurally similar metabolites in all mammalian cells. One of the hallmarks of cancer is dysfunctional sugar metabolism, known as the Warburg effect, and one of the manifestations of that effect is abnormal GLUT expression. There are 14 known GLUT proteins with different expression patterns in different tissues, and tumors tend to express certain GLUTs that are not present in surrounding healthy tissue. Therefore, selective targeting of GLUTs presents a potentially powerful tool for diagnostics and treatment of cancer and other diseases. This has been …

Microwave Assisted Syntheses And Characterizations Of Near-Infrared Ratiometric Probes For Mitochondrial Ph Detection And Monitoring, Ronald J. Schwandt

Dissertations, Master's Theses and Master's Reports

Within the field of biochemistry, there has been a significant development of ratiometric fluorescent probes designed for mitochondrial pH detection; however, many of these probes have emissions within the visible spectrum and require long synthesis times with low-yield reactions. However, in recent years, microwave-assisted syntheses of organic molecules have led to significant increases in reaction yields and quicker reaction times. In this work, two common reactions in probe synthesis, Heck coupling, and Knoevenagel condensations are investigated using microwave-assisted synthesis. It was found the low-concentration Heck coupling reactions using palladium (II) acetate led to extremely efficient Heck coupling. Also, a novel …

Development Of Near-Infrared Probe For The Detection Of Nadh And Nad(P)H In Live Cells And D. Melanogaster Larvae, Sophia J. Jaeger

Dissertations, Master's Theses and Master's Reports

A near-infrared fluorescent probe, A, was designed by substituting the carbonyl group of the coumarin dye’s lactone with a 4-cyano-1-methylpyridinium methylene group and then attaching an electron-withdrawing NADH-sensing methylquinolinium acceptor via a vinyl bond linkage to the coumarin dye at the 4-position. The probe exhibits primary absorption maxima at 603, 428, and 361 nm, and fluoresces weakly at 703 nm. The addition of NAD(P)H results in a significant blue shift in the fluorescence peak from 703 to 670 nm, accompanied an increase in fluorescence intensity. This spectral shift is attributed to the transformation of A−π–A−π–D configuration to D−π–A−π–D pyridinium platform …

Multiscale Computational Chemistry Studies Of The Catalytic Mechanisms Of Non-Heme Fe(Ii)/2-Oxoglutarate-Dependent Oxygenases, Simahudeen Bathir Jaber Sathik Rifayee

Dissertations, Master's Theses and Master's Reports

Enzymes catalyze complex biological transformations. Non-heme Fe(II)/2-oxoglutarate (2OG)–dependent enzymes are highly versatile catalysts capable of selective C–H oxidation, enabling transformations such as hydroxylation, halogenation, desaturation, demethylation, ring rearrangements, epoxidation, and electrophilic aromatic substitution. These enzymes are involved in various biological processes, including fatty acid metabolism, hypoxic signaling, collagen maturation, and transcriptional regulation. Computational Modeling provides detailed knowledge of the enzymes including atomistic details of the important catalytic species, conformational and electronic effects, which are crucial to enzyme engineering and drug design efforts. This dissertation implements advanced multi-scale molecular modelling techniques including Molecular dynamics and Quantum Mechanic / Molecular Mechanics calculations …

Structural Optimization And Stability Enhancement Of Uba(2) And Ntl9 Using The Computational Tool: Emcast, Bahar Ghazi Esfahani

Graduate Student Theses, Dissertations, & Professional Papers

This study enhances protein stability prediction by refining EmCAST (Empirical C-Alpha Stability Tool), a computational tool used to identify stabilizing mutations in protein domains. We applied EmCAST to two model proteins: the α-helical ubiquitin-associated domain 2 (UBA(2)) and the α/β N-terminal domain of ribosomal protein L9 (NTL9). Protein stability is critical for proper function, and mutations can lead to misfolding and disease. To validate EmCAST’s predictions, guanidine hydrochloride-induced denaturation was monitored using circular dichroism (CD) spectroscopy for both wild-type and mutant variants. Results guided refinements to EmCAST’s algorithm, incorporating new experimental datasets to improve accuracy. Additionally, we examined the assumption …

Design Of Motivational-Realistic-Pancasila Learning In Mathematics, Marup Marup, Suradi Tahmir, Ahmad Talib, Nurzatulshima Kamaruddin

Jurnal Pendidikan Sains

Learning mathematics in class greatly influences students' learning success both in terms of knowledge and attitudes. In carrying out learning, a learning design is needed that can foster student motivation so that they provide learning outcomes to the learning objectives. Motivational-Realistic-Pancasila learning design is considered to be an alternative solution. Morela is a design that combines motivational, realistic indicators and Pancasila values. The teaching of mathematics in the classroom significantly influences students' academic success, both in terms of knowledge and attitude. To effectively carry out the teaching process, a well-designed instructional approach is necessary to foster students' motivation to achieve …

Development Of Conceptual Scaffolding-Assisted Formative Assessment For Enhancing Understanding Of Temperature And Heat, Ana Lailatul Fitriyah, Sentot Kusairi, Markus Diantoro

Jurnal Pendidikan Sains

This research aims to develop formative assessment media assisted by conceptual scaffolding to improve students’ understanding of temperature and heat, test its validity and practicality, and gauge student responses. Utilizing the ADDIE model, the research follows five stages: Analysis, Design, Development, Implementation, and Evaluation. In the Analysis stage, a literature review was conducted to identify critical components, including formative assessment, conceptual scaffolding, concept mastery, and previous research. The Design stage involved identifying users, defining competencies and indicators, creating a storyboard, integrating assessment components, and determining mastery levels. During the Development stage, the assessment media were developed into a functional product. …

Composite Volume Learning Media Based On Augmented Reality To Enhance Students’ Visual-Spatial Intelligence, Ria Kurniawati, Susiswo Susiswo, Syamsul Hadi

Jurnal Pendidikan Sains

Augmented Reality (AR) technology, a three-dimensional visual tool that integrates virtual objects or environments into real-world displays in real time (Azuma et al., 2001), is particularly useful for grasping complex concepts such as the composite volume of solids, which often confuses students when they need to decompose solids into their individual components. While previous research has predominantly focused on the introduction of solids, spatial nets, and the volume of singular shapes, this study aims to develop composite volume learning media based on AR to enhance students’ visual-spatial intelligence in a valid, practical, and effective manner, aligning with their concrete operational …

Students’ Concept Maps Profile On Environmental Pollution Material During The Covid-19 Pandemic, Sunarni Sunarni, Sri Widoretno, Puguh Karyanto, Bowo Sugiharto, Sri Dwiastuti, Chandra Adi Prabowo

Jurnal Pendidikan Sains

The study investigates the performance of students in constructing Concept Maps (CM) related to environmental pollution material during the COVID-19 pandemic. The data reveals that the overall achievement in CM construction was suboptimal, with no component reaching more than half of its maximum potential. The highest achievement was recorded in the valid relationship component, which attained 9.75% of its maximum possible score. This was followed by the hierarchy component, achieving 7.34%, and the branching component at 3.42%. The pattern component ranked fourth with 1.31%, closely followed by the example component at 1.30%. The lowest performance was observed in the crosslink …

Analysis Of Students’ Problem-Solving Skills In Newton’S Law With 5e Learning Cycle, Nidya Desyana, Sutopo Sutopo, Nandang Mufti

Jurnal Pendidikan Sains

The aim of this study is to identify students’ problem-solving skills in Newton’s laws through the implementation of the 5E learning cycle in the classroom. A pre-experimental design with a one-group pretest-posttest approach was employed. Data on problem-solving skills were collected from students’ pre-test and post-test responses to two essay questions. The indicator with the highest percentage of problem-solving skills was useful description (83% of students), while the indicator with the lowest percentage was specific application of physics (33% of students). Due to the non-normal distribution of the data, the Wilcoxon test was utilized. The results indicated a significant difference …

Dendrite-Free Strategies For Aqueous Zinc-Ion Batteries: Structure, Electrolyte, And Separator, Gang Wu, Wu-Hai Yang, Yang Yang, Hui-Jun Yang

Journal of Electrochemistry

Continued growth in energy demand and increased environmental pollution constitute major challenges that need to be addressed urgently. The development and utilization of renewable, sustainable, and clean energy sources, such as wind and solar, are crucial. However, the instability of these intermittent energy sources makes the need for energy storage systems increasingly urgent. Aqueous zinc-ion batteries (AZIBs) have received widespread attention due to their unique advantages, such as high energy density, cost-effectiveness, environmental friendliness, and safety. However, AZIBs face significant challenges, mainly the formation of zinc dendrites that seriously affect the stability and lifetime of the batteries, leading to battery …

Muramyl Peptide Blend Ameliorates Intestinal Inflammation And Barrier Integrity In Caco-2 Cells, Dmytro M. Masiuk, Victor S. Nedzvetsky, Giyasettin Baydas

Karbala International Journal of Modern Science

Intestinal barrier function depends on epithelial adhesion, which restricts permeability and microbial invasion from the internal environment. Impairment of barrier integrity and gut function is closely linked to pro-inflammatory changes. Inflammation is often the primary factor that provokes gut function disorders. The anti-inflammatory potential of postbiotics has been reported in recent years. Muramyl peptides (MPs) are small signaling molecules that stimulate intracellular pathogen receptors and can regulate cell responses. However, the molecular mechanisms of MPs' effects on intestinal cells remain unknown. The study of MPs treatment on lipopolysaccharide (LPS)-challenged Caco-2 intestinal cells aimed to investigate the postbiotic effects on intestinal …

Optimization Of The Starch Chitosan-Based Flocculant Crosslinked By Ethylene Glycol Dimethacrylate On Removing Dypro 19 Textile Dye From Wastewater, Asep Nurohmat Majalis, Putri Ramadhani, Hendris Hendarsyah Kurniawan, Axel Dimaz Sanusi Pasaribu, Hafiizh Prasetia, Fitri Yuliani, Andreas Andreas, Hartati Hartati

Karbala International Journal of Modern Science

Dyes used in industry, especially textile dyes, are one of the water pollutants that receive much attention because they are potentially toxic, carcinogenic, mutagenic, and generally challenging to decompose naturally. Textile dyes from wastewater can be removed through coagulation-flocculation. However, conventional coagulation-flocculation based on Fe and Al salts and synthetic polymers often leaves residual pollution. In this research, the performance of the new biopolymer-based flocculant, namely starch-ethylene glycol dimetacrylate-chitosan (SEC), which can act as coagulants and flocculants in solid-liquid separation of textile dyes, has been optimized using response surface methodology (RSM) approach. The influences of several independent variables, such …

Breast Cancer Area Identification In Mammograms Using Expectation Maximization Gaussian Mixture Model, Rizki Khoirun Nisa, Dian Kurniasari, Favorisen R. Lumbanraja, Warsono Warsono

Karbala International Journal of Modern Science

Breast cancer accounts for 25% of all cancer diagnoses and 16% of cancer-related deaths among women globally, with high mortality rates due to late diagnosis. Early detection relies on imaging techniques such as mammography, histopathology, and breast ultrasound, with mammography being the gold standard due to its proven to detect breast cancer, thus it is effective for breast cancer treatment. However, mammogram images often produce noise and artefacts, complicating early-stage cancer detection and emphasizing the need for advanced image processing. Clustering algorithms such as K-means and Expectation Maximization - Gaussian Mixture Model (EM-GMM) have shown potential in image segmentation. This …

Interactions Of The Sars-Cov-2 Viral Genome 3’-Untranslated Region With Viral And Host Rnas, Caleb Frye, Mihaela Rita Mihailescu

Electronic Theses and Dissertations

This dissertation focuses on the characterization of RNA-RNA interactions within the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome and with host microRNAs. As the causative agent of coronavirus disease 2019 (COVID-19), SARS-CoV-2 has evolved rapidly since its appearance. This has warranted prompt characterization of the virus particularly of its single stranded RNA (ssRNA) genome. By using a combination of bioinformatics, biophysics, and/or biological assays, we analyzed the SARS-CoV-2 viral genomic RNA and uncovered interactions of genomic RNA with host RNAs, highlighting an underutilized method of targeting RNA viruses. We showed here that the conserved elements in the viral genomic …

Molten Flux Synthesis Of Plutonium (Iv) Silicates K2Pusi2O7 And Rb2Pusi6O15, Travis K. Deason, Gregory Morrison, Amir Mofrad, Jake Amoroso, David Diprete, Theodore M. Besmann, Shanna L. Estes, Hans Conrad Zur Loye

Faculty Publications

Few plutonium containing silicates have been reported in the literature and only one other tetravalent plutonium silicate structure has been reported using the flux growth method. With the goal of understanding actinide incorporation into silicates, we describe herein two new plutonium (IV) silicates, Rb2PuSi6O15 and K2PuSi2O7, synthesized using a mixed alkali chloride/alkali fluoride flux growth. Both structures crystallize in the C2/c space group with lattice parameters a=24.2980(10) Å, b=7.1466(3) Å, c=17.2025(8) Å and 96.6560(10)° for Rb2PuSi6O15, and a=9.9478(2) Å, b=5.59820 (10) Å, c=13.1848(2) Å, and 105.7400(10)° for K2PuSi2O7. Comparisons to the synthesis of other reported alkali actinide silicates (Ce, U, …

Intrinsic Gas-Phase Behavior Of Uranium Species: A Comprehensive Reactivity Study Of [O=U≡Ch]+ And [Uh]+, Justin Terhorst

Electronic Theses and Dissertations

The intrinsic chemistry of actinide elements, particularly uranium, remains a key challenge in understanding f-block reactivity due to the complexity introduced by solvent interactions, counter-ions, and complex equilibria in the condensed phase. In this dissertation, a systematic gas-phase study utilizing preparative tandem ion-trap mass spectrometry (PTMSⁿ) is presented, focusing on the reactivity of uranium-centered species, specifically [OUCH]⁺, an oxy uranium methylidyne species, and [UH]⁺ ions. By stripping away solvent effects and isolating the ions, PTMSⁿ provides a powerful platform to probe the fundamental chemical behavior of uranium species in their intrinsic state.

The …

Rna Structural-Dynamical Hierarchy: Sars-Cov, Sars-Cov-2, And Delta/Omicron Variant S2m Monomers, Kissing Complexes, And Extended Duplexes, Adam Kensinger

Electronic Theses and Dissertations

The power and promise of ribonucleic acid (RNA) molecules are only beginning to be realized in living organisms and pharmaceutical intervention. Specifically, defining the chemical physics of RNA’s heterogenous structural ensemble and dynamics, which has experienced expansive growth over the last few years, is central to a complete understanding, yet continues to be a significant challenge. A 41-nucleotide hairpin called the stem-loop II motif (s2m), present in the viral genomes of severe acute respiratory syndrome (SARS), SARS-coronavirus-2 (SARS-CoV-2), and the Delta and Omicron variants responsible for the COVID-19 pandemic, is a potential antiviral target due to its high sequence conservation …

Assembly Of Ppsu-Oligomers, Mariam Nesterov

Student Theses and Dissertations

The development of nanostructures for delivering multiple proteins to targeted antibodies has become a promising avenue in biotechnology, driven by advancements in synthetic polymers like poly(propylene sulfone), PPSU. However, the PPSU polymer faces a major limitation - its high insolubility. To address this challenge, this study investigates whether PPSU oligomers can enhance both the solubility and stability of lysozyme, a model protein that is cost-effective and widely accessible. Using dimer, trimer, tetramer, and hexamer configurations, we analyzed the interactions between PPSU oligomer and lysozyme under varying conditions. Our results show that the dimer and trimer are water soluble (no aggregate …

Synthetic Studies On Ship Activators And New Oxidative Methods Utilizing Ddq And Hypervalent Iodine Catalysts, Christos Nixarlidis

Dissertations - ALL

One important cell signaling pathway is the PI3K pathway because it influences many key cellular functions such as proliferation and apoptosis. Among the enzymes that are involved in this pathway, the SH2-containing inositol-5’-phosphatase (SHIP) plays an important role by maintaining the balance of PI(3,4,5)P3 and PI(3,4)P2. SHIP activation promotes a higher rate of hydrolysis of PI(3,4,5)P3 and thus reduces the downstream activation of AKT, which influences many cell processes. Activation of SHIP using small molecules may be useful for certain diseases such as inflammatory disorders and some types of cancer. The synthesis and evaluation of a new class of sulfonamide …

Modulating Liquid-Liquid Phase Separation Of Intrinsically Disordered Proteins Through Lipidation, Zhe Zhang

Dissertations - ALL

Liquid-liquid phase separation (LLPS) is a fascinating biological phenomenon that enables cells to form membraneless organelles, creating specialized compartments for orchestrating complex biochemical reactions. While significant progress has been made in deciphering the sequence determinants underlying phase separation, precisely modulating these features remains a challenge. Inspired by biology, post-translational modifications (PTMs) offer a promising approach to modulate the protein condensates formation and their properties in real-time, without altering the sequences. Despite the identification of over 300 types of PTMs, most research has predominantly focused on charge-altering modifications. The effects of non-charged PTMs, such as lipidation, on LLPS remain poorly understood. …

Application Of Two-Directional Carbonyl Ene Reaction To The Synthesis Of Complex Tetrahydropyrans, And Studies Toward The Synthesis Of C26-C39 Subunit Of Spirastrellolide B., Md Abid Abid Hasan

Dissertations - ALL

The use of exocyclic enol ethers as nucleophiles in carbon-carbon bond forming reactions has been underutilized in organic synthesis. This work describes the use of 6-iodomethyl-2-methylenetetrahydropyran as a bis-exocyclic enol ether equivalent for the synthesis of pyran derivatives. Use of this linchpin allows for bidirectional elaboration of the pyran core by two directional carbonyl ene. The development of a convergent, modular synthesis of 2,6-disubstituted-4H-pyrans in a three-step sequence starting from 6-iodomethyl-2-methylenetetrahydropyran is described. Initial carbonyl ene reaction of 6-iodomethyl-2-methylenetetrahydropyran with aldehydes or activated ketones was followed by elimination of iodide to give cross oriented bis-enol ethers that contain both endocyclic …

Studies Towards The Synthesis Of A Simplified Forskolin Core And Phomactin A, Fortune Ononiwu

Dissertations - ALL

Oxadecalins are privileged scaffolds found in various natural products that show biological activity, such as platelet aggregating factor antagonism and activation of adenyl cyclase. As such, various synthetic methods such as intramolecular substitution reactions and [4+2] cycloadditions have been developed for the construction of these important intermediates. Studies towards the synthesis of a simplified core of the labdane diterpene, forskolin, are described. Forskolin is the only known supplement to naturally raise cAMP levels, thereby displaying important pharmacological properties. The synthetic route described features a Lewis acid catalyzed dihydropyrone Diels-Alder reaction for rapidly assembly of the ABC tricycle. Modified Saegusa-Ito oxidation …

Peptides And Metalloproteins: Evolution, Catalysis And Material Design, Dona Imanga Upamadi Edirisinghe

Dissertations - ALL

Peptide hydrogels are an important class of biomaterials that have gained significant attention in recent years. The stimuli responsive materials change their properties in response to pH, redox, temperature and enzymes and this property allowed us to design the materials with tunable properties based on their end application. This dissertation reports the de novo design, synthesis and characterization of short chain peptide sequences and optimizations of those in order to develop them into potential candidates in wound care and drug delivery applications. The investigation of these novel peptide sequences will open up new possibilities to tailor the properties through simple …

Synthesis, Characterization, And Investigation Of Photochemical And In Vitro Properties Of Novel Zn(Ii) Phthalocyanine, Yasemi̇n Bayğu Yildiz, Ni̇lgün Kabay, Burak Yildiz, İpek Ömeroğlu, Mahmut Durmuş, E. Riza Karagür, Hakan Akça, Çağri Ergi̇n, Yaşar Gök

Turkish Journal of Chemistry

In our work, a new non-peripheral zinc(II) phthalocyanine bearing octa carboxylic acid ethyl ester derivative substituted triazole attached propylmercaptothiobenzylmercapto derivative was synthesized by the tetramerization reaction of phthalonitrile. The photochemical in vitro photodynamic activity of zinc(II) phthalocyanine (ZnPc-I), such as human non-small cell lung carcinoma cell lines, was investigated in this study. The singlet oxygen generation property of novel zinc(II) phthalocyanine (ZnPc-I) was also examined due to the significantly high singlet oxygen quantum yield of ZnPc-I (ΦΔ = 0.66). The antiproliferative effects of ZnPc-I were also investigated on A549 and H1299 cell lines, our results demonstrate that the ZnPc-I has …