Chemistry Commons^™

Improvement Of Single-Crystal Structures Of Very Heavy Element Compounds By Refining Anomalous Dispersion Parameters, Florian Meurer, Gregory Morrison, Birgit Hischa, Hans Conrad Zur Loye, Christoph Hennig, Michael Bodensteiner

Faculty Publications

Refining the anomalous dispersion parameters of the four uranium compounds NaUF5, NaU2F9, Cs2(UO2)TiO4, and Cs2(UO2)Ti2O6 gave insights into the crystallographic model improvement of very heavy atoms. We found that the values for the dispersive and absorptive parts, f′ and f″, closely followed the X-ray absorption spectra on their L3, L2, and L1 edges. The obtained values are sensitive to the chemical environment at each crystallographically independent position. An incorrect treatment of the anomalous dispersion correction can lead to a wrong crystallographic model. The above-mentioned, already published structures were improved by this process. General guidelines were given for the crystal structure …

Sequence Specificity Of Non-Structural Protein 15 From Sars-Cov-2, John Vincent Mcguire

Electronic Theses and Dissertations

The SARS-CoV-2 virus was recently able to cause a global pandemic, largely due to the asymptomatic period that occurs during initial infection. During this period, patients are infectious but do not exhibit symptoms, resulting in the unintentional spread of the virus. This occurs because the virus effectively avoids detection by the immune system during the early stages of infection, and as symptoms are the result of immune system activation, they never manifest. Non-structural Protein 15 (Nsp15) is one of the tools the virus uses to remain undetected, via its degradation of Pathogen-Associated Molecular Patterns (PAMPs) that would otherwise be recognized …

An Online Nanoinformatics Platform Empowering Computational Modeling Of Nanomaterials By Nanostructure Annotations And Machine Learning Toolkits., Tong Wang, Daniel P Russo, Philip Demokritou, Xuelian Jia, Heng Huang, Xinyu Yang, Hao Zhu

College of Science & Mathematics Departmental Research

Modern nanotechnology has generated numerous datasets from in vitro and in vivo studies on nanomaterials, with some available on nanoinformatics portals. However, these existing databases lack the digital data and tools suitable for machine learning studies. Here, we report a nanoinformatics platform that accurately annotates nanostructures into machine-readable data files and provides modeling toolkits. This platform, accessible to the public at https://vinas-toolbox.com/, has annotated nanostructures of 14 material types. The associated nanodescriptor data and assay test results are appropriate for modeling purposes. The modeling toolkits enable data standardization, data visualization, and machine learning model development to predict properties and bioactivities …

Molecular Docking, Pharmacological Profiling, And Molecular Dynamics Simulation Of Potential Antihyperuricemic Agent From Secondary Metabolites Of Dillenia Philippinensis Rolfe (Dilleniaceae), Louie Rince C. Suyo, John P. Paulin, Nicole Clarence Louise L. Gapaz, Markus Brent S. Arevalo, Vince Tyrell P. Yongco, Librado A. Santiago

Karbala International Journal of Modern Science

Crystal accumulation in the joints due to increased serum uric acid (sUA) may lead to an inflammatory condition called gout. Increased sUA is caused by the excessive reabsorption of the urate anion transporter-1 (URAT-1). Therefore, URAT-1 inhibition will promote uric acid excretion and reduce the risk of having gout. Dillenia philippinensis Rolfe, often known as katmon, is an endemic plant in the Philippines with bioactive compounds associated with several therapeutic benefits. The present study represents the first scientific inquiry into the antihyperuricemic potential of compounds isolated from D. philippinensis. This study aimed to assess the interaction of URAT-1 with …

Northern Fur Ssal Vibrissae Organochlorine Contaminant Concentrations, Dimitri Giarikos, Amy Hirons, Courtney White

SECLER Data

The eastern Pacific stock of northern fur seals (Callorhinus ursinus) on the Pribilof Islands has experienced population declines since 1980. The decline may be due to anthropogenic persistent organic pollutants (POPs) which bioaccumulate, are toxic, and persistent. This study conducted a comparison of 21 organochlorine (OC) and 39 polybrominated diphenyl ether (PBDE) analyte concentrations utilizing archived vibrissae (whiskers) from individual fur seals sampled in 1993 (n=30) and 2013 (n=41). The PBDEs had values five times greater than the legacy status OCs. There were no significant mean concentration differences between 1993 and 2013 for total organochlorines (ΣOCs), or total …

Northern Fur Seal Vibrissae Polybrominateddiphenylether Concentrations, Dimitri Giarikos, Amy Hirons, Courtney White

SECLER Data

The eastern Pacific stock of northern fur seals (Callorhinus ursinus) on the Pribilof Islands has experienced population declines since 1980. The decline may be due to anthropogenic persistent organic pollutants (POPs) which bioaccumulate, are toxic, and persistent. This study conducted a comparison of 21 organochlorine (OC) and 39 polybrominated diphenyl ether (PBDE) analyte concentrations utilizing archived vibrissae (whiskers) from individual fur seals sampled in 1993 (n=30) and 2013 (n=41). The PBDEs had values five times greater than the legacy status OCs. There were no significant mean concentration differences between 1993 and 2013 for total organochlorines (ΣOCs), or total …

Assimilating Satellite-Derived Snow Cover And Albedo Data To Improve 3-D Weather And Photochemical Models, Colleen Jones, Huy Tran, Trang Tran, Seth Lyman

Chemistry and Biochemistry Faculty Publications

During wintertime temperature inversion episodes, ozone in the Uinta Basin sometimes exceeds the standard of 70 ppb set by the US Environmental Protection Agency. Since ozone formation depends on sunlight, and less sunlight is available during winter, wintertime ozone can only form if snow cover and albedo are high. Researchers have encountered difficulties replicating high albedo values in 3-D weather and photochemical transport model simulations for winter episodes. In this study, a process to assimilate MODIS satellite data into WRF and CAMx models was developed, streamlined, and tested to demonstrate the impacts of data assimilation on the models’ performance. Improvements …

Rna Secondary Structures: Structure-Function Studies In Viral And Neurodegenerative Diseases, Caylee Cunningham

Electronic Theses and Dissertations

The studies within this dissertation highlight the importance of RNA structure and function, highlighting potential mechanisms in the pathogenesis of the SARS-CoV-2 virus and hallmarks of ALS. Specifically, the s2m, a 41-nt structure found within the hyper variable region of the 3’ UTR of the SARS-CoV-2 virus, was investigated as this element has no definitive role in viruses but its high conservation in several viral families warrants investigation. We used various biophysical techniques to determine if a palindromic sequence in the terminal loop could participate in dimerization activities, which may have implications in recombination and the longevity of the virus. …

Agnotology Of The E-Cigarette Industry: How The E-Cigarette Industry Continues The Tobacco Industry's Legacy Of Creating Controversy And Confusion Within The Scientific Community And The General Population, Calvin Lewis

University Honors Theses

The purpose of this paper is to determine the extent to which the e-cigarette industry follows in the footsteps of the tobacco industry's attempts to disrupt science and cause controversy. Four tactics are described that the tobacco industry uses to disrupt science: funding research that is designed to show results that support their position, criticizing and suppressing research that goes against their position, changing risk assessment and scientific research standards to fit their aims, and spreading data created by their interest groups to politicians and the nonacademic press. Evidence is found to show that both the tobacco industry and e-cigarette …

Investigation Of The Prevalence Of Fentanyl Analogs In A Drug Testing Population Using Liquid Chromatography Tandem Mass Spectrometry (Lc-Ms-Ms), Ivan Cordova

Student Theses

This study serves to determine the prevalence of novel fentanyl analogs that are present within a drug testing population in New York State. Samples were analyzed using liquid chromatography tandem mass spectrometry (LC-MS/MS) to qualitatively determine the presence of various possible fentanyl analogs. The sample preparation of this assay consisted of a simple dilute and shoot. This method of sample preparation can be quicker, eliminating sample preparation times as well as being less financially strenuous to clinical laboratories as it eliminates the need for various solvents and solid/liquid phase cartridges. The assay was aimed to see if analytes can be …

Structure-Function Relationships In Neurodegenerative And Infectious Diseases: Biophysical Characterization Of Rna Secondary Structures By Computational Techniques, Kendy Guarinoni

Electronic Theses and Dissertations

The research described in this dissertation focuses on the investigation of the structure and dynamics of regions of RNA implicated in two diseases: COVID-19 and amyotrophic lateral sclerosis/frontotemporal dementia (ALS/FTD). Both studies sought to create experimentally corroborated models that were used to characterize the structure and dynamics of the C9orf72 repeat expansion and the s2m region in coronaviruses, respectively and provided the foundation for future work. In our work involving the s2m region of SARS-CoV-2, the virus responsible for COVID-19, we determined that the homology modeling approach commonly used to derive atomistic structures when no coordinates are available yields a …

Development Of A Flow Cytometry Method For The Identification And Enumeration Of Enterococcus Faecalis, Riza Magbitang

Master's Theses

A multi-color flow cytometry method coupled with fluorescent staining was developed to detect and quantify E. faecalis concentrations in coastal waters as an alternative to the traditional membrane filtration method. The developed method was used to characterize E. faecalis during batch growth and yielded consistent results across the various physiological states of the cells. Additionally, the application of propidium iodide (i.e., a viability stain), afforded the method the ability to differentiate between cells with intact and compromised cell membranes, which raises the potential of quantifying cells that are in viable-but-non-culturable (VBNC) state. Initial field test using natural seawater samples spiked …

Performance And Enhanced Efficiency Induced By Cold Plasma On Sapo-34 Membranes For Co2 And Ch4 Mixtures, Fnu Gorky, Vashanti Storr, Grace Jones, Apolo Nambo, Jacek B. Jasinski, Maria L. Carreon

Chemical Engineering Faculty Publications and Presentations

In this study, we investigate the influence of cold-plasma-induced enhanced performance and efficiency of SAPO-34 membranes in the separation of CO₂ and CH₄ mixtures. Placing the herein presented research in a broader context, we aim to address the question of whether cold plasma can significantly impact the membrane performance. We subjected SAPO-34 membranes to plasma mild disturbances and analyzed their performance in separating CO₂ and CH₄. Our findings reveal a notable enhancement in membrane efficiency and sustained performance when exposed to cold plasma. The pulsed plasma separation displayed improved structural integrity, and the experimental results …

Characterizing Gsk3Β Interaction And Kinetics Via Isothermal Titration Calorimetry, W A Bhagya De Silva

UNLV Theses, Dissertations, Professional Papers, and Capstones

Glycogen synthase kinase 3β (GSK3β) is a multifunctional serine/threonine kinase involved in several key signaling pathways, including glycogen metabolism, WNT/β-catenin, and Hedgehog signaling. Hyperactivity of GSK3β has been linked to Alzheimer’s disease, bipolar disorder, type II diabetes, and some cancers. Therefore, GSK3β is of interest as a target for therapeutics. Lithium ion (Li+) is a classical inhibitor of GSK3β. Structurally similar beryllium ion (Be2+) is ~1000-fold more potent. Lithium and beryllium have demonstrated pathway-specific and cell type-specific inhibition of GSK3β, prompting an investigation into the inhibitory mechanisms and thermodynamic characteristics of the metal-enzyme interaction.Isothermal titration calorimetry (ITC) is a label-free …

Assessment Of Tce And Chiral Pcb Dechlorination Rate, Congener Diversity, And Enantioselectivity In Town Creek, Sc, Usa Sediment Microcosms, Catherine P. Sumner

All Dissertations

Polychlorinated biphenyls (PCBs) and trichloroethene (TCE) are ubiquitous contaminants and are recognized as persistent organic pollutants due to their extreme chemical stability. PCBs were manufactured by chlorinating biphenyls that created 209 congeners with various structures, of which 19 are chiral and can exist as a pair of stable atropisomers. PCBs have been known to cause developmental and neurological toxicity in humans and wildlife; they can act as endocrine disrupters, carcinogens, and teratogens. Sangamo Weston Inc. was an industrial plant located near Town Creek in Pickens Country, South Carolina, that manufactured capacitors and used Aroclors 1016 and 1254 as dialectic fluids …

Metal Assisted O2-Dependent Carbon-Carbon Bond Cleavage Of Β-Diketones And Flavonols, Stephen N. Anderson

All Graduate Theses and Dissertations, Fall 2023 to Present

Almost everything we interact with on a daily basis has been synthesized by chemists ranging from plastics, food preservatives, and medications. The diversity of synthetic molecules are achieved by the formation of new bonds between existing molecules and/or through the cleaving of bonds found in a molecule. There are uncountable amount of conditions reported to facilitate chemical reactions which all depend on the nature of molecules being used and the environment it is used in.

In recent years, more attention has been paid to identify chemical reactions that can use more environmentally favorable conditions and reduce the use of limited …

Freedom As The Physical Notion. Mechanics Of A Material Point, Michael Vigdorowitsch

Karbala International Journal of Modern Science

This is a novel conceptual attempt to introduce freedom as a consistent physical notion. The present consideration is limited to mechanics of a material point. Adapted to physical representation, freedom is tested throughout the paper to conform to its general perception. It is first tried on such physical notions (but not restricted to) as potency of a set, Lagrangian, action, degrees of freedom. Defined as angular and essentially nonlinear variable, it appears to be dual as that the domain affords and that the material point possesses within the domain, not necessarily equal to one another. Freedom has to degrade if …

The Potential Influence Of Immune Modulatory Molecules (Tgf-Βiii And Ctla-4) In Pathogenicity Of Pcos, Mustafa Riyadh Abdullah, Hazima Mossa Alabassi

Karbala International Journal of Modern Science

Polycystic ovary syndrome (PCOS) is characterised by chronic anovulation, hyperandrogenism, polycystic ovaries, and immunological dysregulation. Immune homeostasis and inflammation management require immune functions. T-regulatory cells (Tregs) regulate PCOS's immune system, inflammation, insulin resistance, ovarian function, and homeostasis. Transforming growth factor βIII (TGF-βIII) and Cytotoxic-T-lymphocyte-associated-protein-4 (CTLA-4) receptors on the surfaces of Treg cells are important for controlling the immune system. The study included 68 PCOS patients and 22 non-PCOS women controls aged 20–45. The waist-hip ratio (WHR) determines obesity. We evaluated serum levels and gene expression of TGF-βIII and CTLA-4 via ELISA and real-time PCR. Women with PCOS had significantly higher …

Enhanced Optoelectronics Performance Of Hybrid Self Power Photodetectors Go: Tio2- Ad / N-Si Heterojunctions, Mohammed J. Alsultani, Maysoon F. Alias

Karbala International Journal of Modern Science

A GO:TiO₂/n-Si heterostructure has been submerged in an anthocyanin dye solution that extracted from the red cabbage plant creates a high responsivity, self-powered UV, and visible photodetectors fabricated by the spray pyrolysis technique. The GO concentrations are varied, whereas TiO₂ is fixed. Thin films' structure, shape, and optical characteristics were examined using X-ray diffraction, field emission scanning electron microscopy, and UV-Vis spectrophotometers respectively. Island-like polycrystalline film powders with grain boundaries and granular shapes are created. Two direct energy gaps between 3.33-3.02 and 2.39-2.04 eV exist in all films. J-V characteristics were examined. The saturation current density (J …

Functional And Structural Analysis Of The Neimann-Pick Disease Type C Pathway To Include Caveolin-1, Anthony Michael Seat

Chemistry and Chemical Biology ETDs

Human disease is often thought of as an all or nothing prospect, either one has the disease or one does not. This does not bear out in clinical or personal experiences, instead demonstrating that disease occurs within a spectrum ranging from presumed unaffected to demonstrably and detrimentally affected.Neimann-Pick disease is one example of this spectrum look into diseased states, with multiple named versions of a phenotypically similar disease. We focus on Neimann-Picktype C (NPC), which is the result of a disruption in the efflux of cholesterol and sphingolipids from the endocytic pathway. NPC demonstrates this concept of a spectrum of …

Detection And Quantification Of Acetaminophen In Aquatic Samples From Cádiz, Spain, Hannah R. Desmarais, Michelle N. Mikos

DePaul Discoveries

Pharmaceutical contaminants in water are becoming increasingly prevalent. This could have potentially harmful effects on human health and aquatic environments, even at low concentrations. Acetaminophen, the active ingredient of Tylenol ®, was the target compound for this study, and the aim was to determine is presence and concentration in various aquatic samples in and around the city of Cádiz, Spain. It was predicted that acetaminophen would be detected in low concentrations in river water, drain outflow, University of Cádiz saltwater flow, and lagoon water, but undetectable in the University of Cádiz sink water and fountain water. The presence and concentration …

Use Of Cobalt(Iii) And Copper(Ii) Complexes With Thiosemicarbazone Ligands And Berberine Chloride As Anti-Cancer Agents Against Triple Negative Breast Cancer, Duaa Rashad Alajroush

Chemistry & Biochemistry Theses & Dissertations

It is a worrying fact that chemotherapeutic options for treating triple negative breast cancer are limited in nature, including the use of inorganic pharmaceuticals such as cisplatin and its analogues. It has been reported that cisplatin has undesirable side effects when used as a chemotherapeutic drug. As such, there is a need to use non-platinum-containing complexes as chemotherapeutic agents. Based on that issue, it has been reported by our research group and others that cobalt- and copper-containing complexes have shown great potential in anti-cancer properties when compared to cisplatin. In this research project, the cytotoxic effects of the following complexes: …

Exploring The Effects Of An Alfalfa Leaf-Derived Adsorbent On Microbial Community, Ileal Morphology, Barrier Function, And Immunity In Turkey Poults During Chronic Aflatoxin B1 Exposure, Maria De Jesus Nava-Ramirez, Jing Liu, Juan Omar Hernandez-Ramirez, Xochitl Hernandez-Velasco, Juan D. Latorre, Alma Vazquez-Duran, Guolong Zhang, Roberto Señas-Cuesta, Sergio Gomez-Rosales, Andressa Stein, Billy M. Hargis, Guillermo Tellez-Isaias, Abraham Mendez-Albores, Jesus A. Maguey-Gonzalez

Poultry Science Faculty Publications and Presentations

This article follows-up on our recently published work, which evaluated the impact of the addition of an alfalfa leaf-derived adsorbent in the aflatoxin B₁ (AFB₁)-contaminated diet in regard to the production parameters, blood cell count, serum biochemistry, liver enzymes, and liver histology of turkey poults. This paper presents complementary results on microbial community, ileal morphology, barrier function, and immunity. For this purpose, 350 1-day-old female turkey poults were randomly distributed into five groups: (1) Control, AFB₁-free diet; (2) AF, AFB₁-contaminated diet at 250 ng/g; (3) alfalfa, AFB₁-free diet + 0.5% ( …

Response To Replication Stress And Maintenance Of Genome Stability By Wrn, The Werner Syndrome Protein, David K. Orren, Amrita Machwe

Markey Cancer Center Faculty Publications

Werner syndrome (WS) is an autosomal recessive disease caused by loss of function of WRN. WS is a segmental progeroid disease and shows early onset or increased frequency of many characteristics of normal aging. WRN possesses helicase, annealing, strand exchange, and exonuclease activities and acts on a variety of DNA substrates, even complex replication and re- combination intermediates. Here, we review the genetics, biochemistry, and probably physiological functions of the WRN protein. Although its precise role is unclear, evidence suggests WRN plays a role in pathways that respond to replication stress and maintain genome stability particularly in telomeric regions.

Carbon-Based Nanocomposite Membranes For Membrane Distillation: Progress, Problems And Future Prospects, Chhabilal Regmi, Yuwaraj K. Kshetri, S. Ranil Wickramasinghe

Chemical Engineering Faculty Publications and Presentations

The development of an ideal membrane for membrane distillation (MD) is of the utmost importance. Enhancing the efficiency of MD by adding nanoparticles to or onto a membrane’s surface has drawn considerable attention from the scientific community. It is crucial to thoroughly examine state-of-the-art nanomaterials-enabled MD membranes with desirable properties, as they greatly enhance the efficiency and reliability of the MD process. This, in turn, opens up opportunities for achieving a sustainable water–energy–environment nexus. By introducing carbon-based nanomaterials into the membrane’s structure, the membrane gains excellent separation abilities, resistance to various feed waters, and a longer lifespan. Additionally, the use …

Study Of Atypical Alarmone Synthesis In Clostridioides Difficile, Declan Nathaniel Butler

Chemistry & Biochemistry Theses & Dissertations

Clostridioides difficile is a Gram-positive anaerobic bacterium that causes infections in humans that costs healthcare systems billions per year. C. difficile infection has high rates of recurrence due to multiple antibiotic resistance. When bacteria are in stressful environments, they produce hyperphosphorylated guanosine ribonucleotide signaling molecules called alarmones. The accumulation of alarmones activates the stringent response (SR), in which bacterial cells induce transcription of stress survival genes to delay growth and replication. The C. difficile SR is regulated by enzymatic activity of a bifunctional synthetase/hydrolase, RelA/SpoT homolog (RSH), and a monofunctional small alarmone synthetase (RelQ). Additionally, the SR is potentially regulated …

Students’ Science Literacy On Discussion-Based Contextual Approaches Of Human Reproductive System Learning, Yeni Mulyaningsih, Chaerul Rochman, Adam Malik, Tri Wahyu Agustina, Yulia Sukmawardani, Nur Hamidah, Nurul Annisa

Jurnal Pendidikan Sains

The aim of this study was to enhance students’ science literacy through a discussion-based contextual approach in the learning of the human reproductive system. This quantitative research employed an experimental method with a quasi-experimental posttest-only design. The study involved 60 students, with 30 students each in class XI MIPA 4 serving as the experimental group and class XI MIPA 5 serving as the control group. The control group received instruction through a conceptual approach-based lecture method, whereas the experimental group engaged in learning through a contextual approach-based discussion method. The research instrument comprised 10 open-ended science literacy questions pertaining to …

Analysis Of Genetic Engineering Material Misconceptions In Biology Textbooks For Ninth-Grade In Yogyakarta, Silfi Pratiwi, Purwanti Pratiwi Purbosari, Oktira Roka Aji, Rinaldi Rizal Putra

Jurnal Pendidikan Sains

Textbooks play a pivotal role in the pedagogical landscape, serving as indispensable aids for learning, founts of knowledge, and platforms for practical application. This study endeavors to scrutinize the content of textbooks, specifically focusing on ninth-grade biology textbooks within the educational milieu of Yogyakarta City, and to juxtapose these contents with existing literature to discern potential misconceptions. Employing a descriptive qualitative approach, the investigation centers on printed biology textbooks utilized in ninth-grade curricula across junior high schools in Yogyakarta. The selection of textbooks for analysis was based on their prevalence as instructional materials, as determined through survey data. Genetic engineering …

Problem-Based Learning Model Assisted With A Humanistic-Merdeka Belajar Approach Improved Biology Students’ Learning Ownership, Dita Tri Mulyani, Dwi Listyorini

Jurnal Pendidikan Sains

Fostering ownership over learning constitutes a pivotal aspect for students to cultivate a comprehensive understanding, employ cognitive strategies effectively, hone essential skills, and refine learning methodologies. Preliminary studies have underscored a prevalent deficiency in the learning ownership among biology students, categorizing it as notably low. The purpose of this study is to ascertain the effect of the Project Based Learning (PBL) model assisted with a Humanistic-Merdeka Belajar (HMB) approach, in nurturing students’ ownership of their learning endeavors. Employing a quasi-experimental design, the research adopts a pre-test post-test non-equivalent control group configuration, administered both prior to and following the intervention within …

Asistensi Mengajar (Am) Program In Merdeka Belajar Kampus Merdeka (Mbkm) As A Pedagogical Mastery Accelerator For Vocational High School Teacher Candidates, Muhammad Idris Effendi, Yoto Yoto, Widiyanti Widiyanti

Jurnal Pendidikan Sains

This research delves into the issue of inadequate pedagogical proficiency among vocational high school (SMK) teacher candidates, primarily stemming from the constrained timeframe of educational internships, typically spanning a mere two months. As an option, this study suggests the implementation of an Asistensi Mengajar (AM) initiative within the framework of the Merdeka Belajar Kampus Merdeka Program (MBKM), extending over a semester’s duration. Employing a literature review methodology, the research highlights that the brevity of conventional two-month internships poses a significant impediment to the development of pedagogical acumen among SMK teacher candidates. The proposed option entails an AM program under MBKM, …