cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Spectroscopic Studies of Carbocyanine and 2,4,6- Trisubstituted Pyridine Dyes for Bioanalytical and pH Indicating Applications
Creators: name: Chapman, Gala
Publisher: name: Georgia State University
Year: 2011

description: In part A, the effect of varying short-chain alkyl substitution on the spectroscopic properties of cyanine dyes was examined. Molar absorptivities and quantum yields were determined for groups of pentamethine and heptamethine dyes for which the substitution of the indole nitrogen was varied. For both sets of dyes, increasing alkyl chain length did not significantly change quantum yield or molar absorptivity. These results may be useful in designing new cyanine dyes.
In part B, the effect of structure on the suitability of 2,4,6-trisubstituted pyridines as color pH indicators was studied by determining spectral effects of protonation, molar absorptivities, pKa values, and the structural origin of the spectral behavior. Good color indicating properties result from aniline substitution at the 4 position of pyridine and electron donating substitution at the 2 and 6 positions of pyridine, which provide a strong red shift in the spectra and greater red shifted peak absorptivity, respectively.
Synthetic Development of the Tri- and Pentamethine Cyanine Chromophore for Biomolecular Interactions
Creators: name: Owens, Eric
Publisher: name: Georgia State University
Year: 2012

description: The synthetic methodology of tri- and pentamethine carbocyanines and their interactions with biomolecules will be discussed in two chapters. The first chapter describes the preparation of halogenated carbocyanine dyes that display multiple charges; furthermore, these particular compounds were examined for their ability to bind G-quadruplex DNA with selectivity over duplex DNA and have potential for developing novel chemotherapeutic agents. The second section discusses the synthetic methods utilized to prepare trimethine cyanine fluorophores. This chapter will show how varying the N-indolenyl substituients? hydrophobicity from ethyl to phenylpropyl influences the binding to Human Serum Albumin (HSA); additionally, alternating the terminal heterocyclic moieties of the cyanine dye has a direct quantitative effect on the biomolecular interaction. These identical compounds were recognized to be structurally analogous to agents that commonly interact with Protein Arginine Methyl Transferase (PRMT) and these compounds display low IC50 values toward inhibition of PRMT1 with unique NIR imaging properties.
Synthesis of Chiral N-Heterocyclic Carbene Precursors and Key Intermediates for  Catalytic Enantioselective Cyclizations of Conjugated Trienes
Creators: name: Wilkerson, Phillip
Publisher: name: Georgia State University
Year: 2012

description: Cocatalyzed reactions using Br?nsted acids and chiral N-heterocyclic carbenes to yield highly enantioselective products have been reported recently in many journals. The development of new chiral N-heterocyclic carbenes is a competitive field among synthetic chemist. In a recent study we found that conjugated trienes could be cyclized using Br?nsted acids and chiral N-heterocyclic carbenes. The synthesis of novel chiral N-heterocyclic carbene precursors, and the precursors to novel conjugated trienes are reported herein.
Ecosystem services and ethics
Creators: name: (:Unkn) Unknown
Publisher: name: My University
Year: 2013
Subjects: Ethik
Naturschutz
Biologische Vielfalt

description: A major strength of the ecosystem services (ESS) concept is that it allows a succinct description of how humanwell-being depends on nature, showing that the neglect of such dependencies has negative consequences onhuman well-being and the economy. As ESS refer to human needs and interests, values are to be consideredwhen dealing with the concept in practice. As a result we argue that in using the concept there is a need to beclear about what different dimensions of value are involved, and be aware of ethical issues that might be associatedwith the concept. A systematic analysis of the ethical implications associated to the ESS concept is still lacking. Weaddress this deficiency by scrutinising value dimensions associated with the concept, and use this to explore themassociated ethical implications. We then highlight how improved transparency in the use of the ESS concept cancontribute to using its strengths without succumbing to possible drawbacks arising from ethical problems. Theseproblems concern the dangers that some uses of the concept have in obscuring certain types of value, and inmaskingunevenness in the distribution of costs and benefits that can arise in the management of ESS.© 2013 Elsevier B.V. All rights reserved.
Synthesis of Coupling Substrates for Use in a Highly Enantioselective Conjugated Triene Cyclization Enabled by a Chiral N-Heterocyclic Carbene
Creators: name: Toth, Christopher
Publisher: name: Georgia State University
Year: 2012

description: The ability to generate chiral building blocks is of paramount importance to organic chemists. This problem presents itself most notably at the interface of chemistry and biology, where molecules of only a single enantiomer can induce function to many biological systems. In this context, recent developments in the field of organocatalysis, most notably the employment of chiral N-heterocyclic carbenes (NHCs) have shown much promise.
Our group has recently shown that one possible chiral NHC catalyzed Stetter cyclization product of a conjugated triene, a highly functionalized cyclopentenone, contains both a chiral center and an adjacent conjugated diene. This structure can be easily elaborated to a bicyclic structural motif present in some biologically active natural products from the ginkgolide family, and is difficult to access by other means. The synthesis of novel vinyl stannanes and other coupling substrates involved in the development of the aforementioned reaction discovery are described in this report.
Two-site DNA Minor Groove Binding Compounds
Creators: name: Sheldon Deuser, Shelby
Publisher: name: Georgia State University
Year: 2012

description: DNA minor groove binding compounds have had limited therapeutic uses, in part due to problems with sequence specificity. A two-site model has been developed to enhance specificity, in which compounds bind to two short AT sites separated by one or two GC base pairs. Using thermal melting, heterocyclic dications with this capability were tested with various oligonucleotides for binding affinity and specificity. Compounds of interest were further probed using circular dichroism, mass spectrometry, biosensor-SPR, and molecular modeling. Several compounds were found to ?jump? a GC base pair, binding to AT sites in the minor groove of DNA with a two-site recognition mode. One compound was also found to recognize a single intervening GC base pair. Compounds with terminal, non-polar amidine extensions were found to have increased DNA binding compared to analogs with terminal amidines. This unique, two-site DNA recognition mode offers novel design principles to recognize entirely new DNA motifs.
Design and Synthesis of Thiamine Analogs as Anti-Cancer Therapeutics
Creators: name: Dinh, Hieu
Publisher: name: Georgia State University
Year: 2012

description: Cancer is one of the leading causes of death.  There have been many investigations into therapeutic ways to prevent and reverse cancerous growth.  We report a  new approach in this thesis, which is to  investigate the functions of Vitamin B1 (thiamine) in cancerous cells and their  regulation.  A number of thiamine analogs were synthesized to carry out the structure-activity relationship (SAR) studies with two transporters THTR1 and THTR2.  Initial results show that the modifications of thiazole  reduced the uptake of thiamine.
D1.2 Quality Assessment Plan (QAP)
Creators: name: National Research Council
Publisher: name: Zenodo
Year: 2023

description: Based on ISO 9001 quality approach principles, a Quality Assurance Plan (QAP), imposed on all WPs, will define the quality expectations for the scope and duration of the contract. The Quality Indicators of the QAP are always two-fold: 1) Scientific: targeting the scientific excellence expected by the project and 2) Technical: assessing the methodological and technical requirements that the deliverable must satisfy to be approved. The QAP aims to ensure that all activities performed as part of the project comply with the RESILIENCE’s policies, methodologies, WP requirements and RESILIENCE quality governance framework
Studying the DNA Binding and Conformation of Metal-Binding Site Mutations in Pirin
Creators: name: Rehmani, Imran
Publisher: name: Georgia State University
Year: 2012

description: The transcription factor NF-?B interacts with many other co-regulator proteins that modulate its binding and transcriptional activity. One of these co-regulators, Pirin, is an iron-dependent metalloprotein that has been shown to enhance the DNA binding of NF-?B homodimers. Here, we characterize the interactions between Pirin and its known NF-?B binding partners and examined the role of Bcl-3, a protein that is required for Pirin?s interaction with p50. In addition, we use site-directed mutagenesis to alter conserved residues within Pirin?s metal binding environment and observed how it affected the DNA binding and conformation of the Pirin-NF-?B complex. These studies show that, while a similar enhancing effect on DNA binding is observed, the interactions of Pirin with different NF-?B members are distinct from each other and could possibly have different physiological purposes.
Clearing the Air on Wildfire Smoke: A Toolkit for Reducing Downwind Exposure Risks
Creators: name: Chemical Insights Research Institute
Publisher: name: UL Research Institutes
Year: 2024
Subjects: classificationCode: 4206
subject: Public health
classificationCode: 420603
subject: Health promotion
classificationCode: 420605
subject: Preventative health care
classificationCode: 33
subject: Built environment and design
classificationCode: 330308
subject: Fire safety design
classificationCode: 34
subject: Chemical sciences
subject: FOS: Chemical sciences
classificationCode: 320605
subject: Nanotoxicology, health and safety
classificationCode: 4105
subject: Pollution and contamination
classificationCode: 401104
subject: Health and ecological risk assessment
classificationCode: 440706
subject: Health policy
classificationCode: 420203
subject: Environmental epidemiology

description: This toolkit, developed by Chemical Insights Research Institute (CIRI) of UL Research Institutes, is meant for individuals located downwind of a wildfire seeking to reduce their exposure to hazardous smoke and pollutants. It offers scientific guidance for safeguarding human health that focuses on protecting the indoor environment. This toolkit is not intended to offer guidance for those living in close proximity to a burning wildfire that may need to evacuate or take additional fire-related safety precautions. Wildfire smoke can travel long distances, negatively impacting air quality across an entire continent. Even though the negative health effects associated with exposure to wildfire pollutants are well known and documented, this knowledge has not been effectively converted into actionable steps that people can take to clean and protect their homes and workplaces. Yet, it is becoming increasingly clear that wildfire smoke can have a much greater influence on losses and negative human health outcomes than the fire itself. A recent study examined the economic toll of wildfires in California between 2017 and 2021, comparing “direct losses” (those primarily attributable to the wildfires’ flames) and “indirect losses” (those primarily attributable to wildfires’ smoke pollution). The overall indirect impacts were found to be nearly ten times higher compared to direct impacts ($11.4 billion vs. $106 billion). The indirect mortality and health costs were over one hundred times higher compared to direct impacts ($0.4 billion vs. $45.9 billion). The content in this toolkit is developed from the information provided in Underwriters Laboratories Inc. Guidance Document 200C: Guidance and Practical Strategies for Reducing Public Health Impacts of Wildland-Urban Interface (WUI) Fires on Community Populations. Please read the guidance document for more comprehensive information on wildfires and their human health risks.
Mobile Device Usage before and during the COVID-19 Pandemic among Rural and Urban Adults
Creators: name: Jonnatan, Livia
name: Seaton, Cherisse L.
name: Rush, Kathy L.
name: Li, Eric Ping Hung, 1978-
name: Hasan, Khalad
Publisher: name: Multidisciplinary Digital Publishing Institute
Year: 2023

description: Technology has played a critical role during the COVID-19 pandemic. Despite affording a safe way for people to connect with others, the potential for problematic device usage (e.g., overuse, addiction) should be considered. The goal of this study was to examine mobile device use during the COVID-19 pandemic among rural and urban people in Canada. Based on an online survey conducted in the summer of 2021 in British Columbia (n = 465), participants self-reported spending more hours per day (M = 8.35 h) using technology during the pandemic compared to prior (M = 6.02 h), with higher increases among urban participants (p < 0.001). Mobile device usage scores were highest for reasons of social connectedness and productivity, with no rural/urban differences; however, urban participants reported higher use of mobile devices for their mental well-being (p = 0.001), but also reported higher, continuous use (p < 0.001), addiction (p < 0.001), and detrimental impacts on their physical health (p < 0.001) compared to rural participants. Because urban participants were more vulnerable to mobile device overuse and addiction during the pandemic, researchers and policy makers should consider the ongoing role and positive/negative impacts of mobile device use, paying particular attention to urban populations.
Nanoprecipitation in Quartz Nanopipettes and Application in the Crystallization of Inorganic Salts
Creators: name: Brown, Warren
Publisher: name: Georgia State University
Year: 2012

description: The high surface to volume ratio which is a property of nanoscale devices means the interfacial effects from these devices on the mass transport of analyte can be significant. Quartz nanopipette effect on the mass transport behavior of inorganic monovalent salts such as potassium chloride is shown to differ from those of conical nanopore. Quartz nanopipettes demonstrate a more significant interfacial impact on the mass transport behavior of inorganic salts. This is evidenced by significant impacts on ionic transport even at high electrolyte concentration where nanopore interfacial effects do not significantly impact the ion transport. Nanopipettes have been use to precipitate salts such as lithium chloride in bulk concentrations three orders of magnitude below the saturation concentration. These novel interfacial interactions have opened new avenues for crystallization of more complex organic biomolecules using inorganic systems as model systems on which to base the approach for these more complex systems.
Synthesis of Novel Fluorescent Benzothiazole Cyanine Dyes as Potential Imaging Agents
Creators: name: Paranjpe, Shirish
Publisher: name: Georgia State University
Year: 2012

description: Near-infrared (NIR) fluorescence imaging has emerged as an attractive non-invasive approach for direct visualization of diseases which depends on the development of stable, highly specific and sensitive optical probes. The NIR region of the electronic spectrum offers a reduction in the background autofluorescence and an increase in the tissue penetration depth. Cyanine dyes have often been considered promising contrast optic agents owing to their photophysical properties.
Herein the synthesis of various penta- and heptamethine benzothiazole cyanine dyes has been described and their in vivo imaging efficacy was determined. Varying functionalities on the benzothiazole aromatic ring and changing substituents on the benzothiazolium nitrogen atom reflected subsequent changes in the imaging pattern and have resulted in the development of promising brain targeting agents.
Effects of Temperature on the Kinetic Isotope Effects for Proton and Hydride Transfers in the Active Site Variant of Choline Oxidase Ser101Ala
Creators: name: Uluisik, Rizvan
Publisher: name: Georgia State University
Year: 2013

description: Choline oxidase catalyzes the oxidation of choline to glycine betaine. The reaction includes betaine aldehyde as an intermediate. FAD is reduced by the alcohol substrate, betaine aldehyde intermediate and oxidized by molecular oxygen to give hydrogen peroxide. In this study, the Ser101Ala variant of choline oxidase was prepared to elucidate the contribution of the hydroxyl group of Ser101 in the proton and hydride transfer reactions for proper preorganization and reorganization of the active site towards quantum mechanical tunneling. The thermodynamic parameters associated with the enzyme-catalyzed OH and CH bond cleavages and the temperature dependence of the associated solvent and substrate kinetic isotope effects were investigated using a stopped-flow spectrophotometer. The proton and hydride transfer have been shown to be occurring via quantum tunneling in CHO-S101A enzyme.
Unsymmetrical Trimethine Cyanine Dyes: Synthesis, Optical Properties, and Evaluations as Inhibitors of Protein Arginine Methyl Transferases
Creators: name: Levitz, Andrew
Publisher: name: Georgia State University
Year: 2013

description:      Carbocyanine dyes are a class of organic compounds that possess two nitrogen containing heterocycles that act as electron donors and acceptors connected by a conjugated methine bridge. This thesis will present the synthetic methodology of symmetrical and unsymmetrical trimethine cyanine dyes in three chapters. The first chapter is a review on the synthesis and application of unsymmetric cyanine dyes. The second will describe the synthesis of unsymmetrical trimethine cyanine dyes and how their optical properties differ from symmetrical dyes. The third chapter will not only discuss the synthetic procedure for synthesis of symmetrical trimethine cyanine dyes, but also will show how varying the N-alkyl substituents and hydrophobicity of the heterocycles affects the dyes interaction with and ability to be used as inhibitors for protein arginine methyltransferases (PRMTs). Several synthesized compounds have displayed lower IC50 values for the inhibition of PRMT1 and PRMT5 comparable to that of current inhibitors.
Discovery of Novel Cross-Talk between Protein Arginine Methyltransferase Isoforms and Design of Dimerization Inhibitors
Creators: name: Canup, Brandon
Publisher: name: Georgia State University
Year: 2013

description: Protein arginine methyltransferase, PRMT, is a family of epigenetic enzymes that methylate arginine residues on histone and nonhistone substrates which result in a monomethylation, symmetric dimethylation or asymmetric dimethylation via the transfer of a methyl group from S-adenosyl-L-methionine (SAM). We discovered a novel interaction between two PRMT isoforms: PRMT1 interacts and methylates PRMT6. In this study site-directed mutagenesis was performed on selected arginines identified from tandem mass spectrometric analysis to investigate major methylation sites of PRMT6 by PRMT1. In combination with radiometric methyltransferase assays, we determined two major methylation sites. Methylations at these sites have significant effects on the nascent enzymatic activity of PRMT6 in H4 methylation. PRMTs have the ability to homodimerize which have been linked to methyltransferase activity. We designed dimerization inhibitors (DMIs) to further investigate the need for dimerization for enzyme activity. Preliminary results suggest that the monomeric form of PRMT1 retains methyltransferase activity comparable to that of the uninhibited PRMT1.
Probe Ca2+/Camodulin reguation of membrane proteins engineering
Creators: name: Liu, Xueyun
Publisher: name: Georgia State University
Year: 2013

description: Calmodulin (CaM) is a eukaryotic Ca2+ signaling protein which can interact with more than 300 enzymes in the cell including membrane proteins Ryanodine receptor1 (RyR1) and gap junction protein connexin 43 (Cx43).   By binding to Ca2+, CaM undergoes a conformational change which exposed the hydrophobic patch that access to the target protein.   wt-CaM and three mutant CaM (isolate C and N domain of CaM, deletion of five residues from the central linker of CaM) are designed for studying the specific contributions to calcium binding affinity and  calcium induced conformational change. wt-CaM exhibits metal binding affinity to calcium analog Tb3+ with a Kd of 3.97 nM using FRET assay and metal-buffer system and activates target protein phosphodiesterase assay. The Kd values of domain specific calcium binding affinity of CaM probed by intrinsic Phe or Tyr are 12.2 and 2.77 uM, respectively. In addition, Ca2+ also induces helicity for both w.t. CaM and C-terminal domain variant.  Further, conditions such as medium and Glucose amount for isotopic labeling of CaM by 15N, 13C and D2O have been optimized with relatively high yield of hetero-isotopic labeled CaM.  This prepared us to probe the detailed interaction of CaM and its target protein and calcium induced conformational change by high resolution NMR. Furthermore, RyR1 mini domain, which contains two CaM binding regions of RyR1 was designed to study the binding mode of the two regions with CaM.  Obtaining bacterial expressed and purified RyR1 mini domain was achieved by engineered with a His-Tag which overcomes the insoluble issue that occurred in the initial study of expression and purification with a GST tag. Moreover, to probe the interaction of CaM to the cytosolic loop of Cx43 that contains two putative CaM binding sites as well as the role of transmembrane region of Cx43, we have successfully expressed and purified fragments Cx4388-154  and Cx4399-154 as a His-tag protein encompassing regions 88-154 and 99-154 of Cx43 with  predicted CaM binding sites with and without additional transmembrane region from Cx43.  Both fragments were obtained with high yield after expressed as inclusion body and His-tag purification.   Fragment Cx4388-154 was shown to bind dansylated CaM with a Kd of 0.107 ?M using florescence spectroscopy.
Synthesis of Novel Heterocyclic N-Oxide Glycosides: Glycosylation of Myxin Analogs
Creators: name: Joyner, Jarin
Publisher: name: Georgia State University
Year: 2013

description: Phenazines and heterocyclic N-oxides have proven to be interesting classes of antitumoral as well as antibiotic agents . The natural product myxin (1-hydroxy-6-methoxyphenazine- N5, N10-dioxide) which belongs to both of these unique classes of molecules, has been found to cause bio-reductively activated, radical-mediated DNA strand cleavage via a de-oxygenative mechanism, making it a potential anti-tumoral as well as anti-bactierial candidate. In order to investigate as well as improve the bioactive properties of myxin, the following study was designed to synthesize glycosylated myxin analogs. A small catalog of these compounds were synthesized, some of them exhibiting comparable biological activity to that of myxin.
Optimizing the Production Parameters of Engineered Protein-Based MRI Contrast Agents
Creators: name: Auguste, Rose
Publisher: name: Georgia State University
Year: 2014

description: Magnetic Resonance Imaging is a noninvasive, complex imaging modality that uses contrast agents to enhance sensitivity and resolution for a clear image enhancement. To optimize the relaxation and targeting properties, our lab has created several protein-based contrast agents, ProCAs. To enable various biophysical characterizations and preclinical studies, we need to optimize expression and purification of the engineered ProCAs. ProCA1 variants are cultured in various cell strains during a tag-less method. ProCA32 with multiple binding sites is also successfully purified. It has a strong metal-binding capability with a relaxivity (r2: 27 mM-1s-1; 0.54; r1: 20.6 mM-1s-1; 0.20 mM-1s-1) that is significantly greater than the clinically used contrast agent,diethylene triamine pentaacidic acid, DTPA (r1: 3.8 mM-1s-1). Our findings in optimizing expression and purification conditions, structural conformation, metal binding, and relaxivity measurements of these ProCAs will facilitate in vitro and in vivo studies needed to move forward into the pre-clinical then clinical phase.
Strong hearts program: the results of a novel primary-care based diagnostic and referral program for Chagas disease in East Boston, MA, USA
Creators: name: Huerta, Javier
name: Manne-Goehler, Jennifer
name: Maldonado, Ashley
name: Davis, Jillian
name: Collins, Katherine
name: Mahoney-West, Helen
name: Milliren, Carly E.
name: Gomez, Jim
name: Salazar, Jaime G.
name: Salazar, Alejandra
name: Barnett, Elizabeth
name: Huánuco, Juan
name: Köhler, Julia. R.
Publisher: name: Oregon Health and Science University
Year: 2024
Subjects: Chagas Disease
Prevalence
Continuity of Patient Care
Antiparasitic Agents
Primary Health Care
Insurance
Referral and Consultation
Centers for Disease Control and Prevention, U.S.
Boston
Massachusetts

description: U.S. Chagas disease, a neglected parasitic infection, affects ~300,000 people in the US. Untreated, Chagas disease leads to irreversible cardiac morbidity and death in 20-30% of cases, yet <1% receive antitrypanosomal therapy in the US. We describe the program structure, diagnostic uptake, local epidemiology, and care continuum for Chagas disease from the Strong Hearts Program, a Chagas care initiative at the East Boston Neighborhood Health Center (EBNHC) in Boston, MA.
Design and Synthesis of Small-molecule Inhibitors of the Hypoxia Inducible Factor-1 as Anticancer Therapeutics
Creators: name: De Los Santos, Zeus Allen
Publisher: name: Georgia State University
Year: 2014

description: Throughout history, cancer has been severely plaguing mankind; the search for a
cure to cancer had long been sought by scientists and still poses as one of the
greatest challenges scientists have yet to overcome. Hypoxia in cells is a condition
where there is little to no oxygen availability in its environment. In general, this event
is detrimental since this can lead to cell necrosis or reoxygenation injuries. However,
hypoxia, a prominent property of most solid tumors, activates the hypoxia-inducible
factor (HIF-1) family of transcription factors that promotes angiogenesis. In this
study, we describe the design and synthesis of small-molecule inhibitors of the HIF-1
pathway.
Targeting Holliday Junctions
Creators: name: Hamilton, Christopher
Publisher: name: Georgia State University
Year: 2014

description: Holliday junctions are formed as an intermediate during DNA recombination as the two strands come together. Recombination occurs during meiosis, and also during DNA double strand repair. Trapping this branched intermediate could prevent DNA repair from occurring in cells which would prove beneficial during cancer treatment. There are many enzymes that cleave Holliday junctions. One such enzyme, T7 Endonuclease I, was specifically chosen to detect ligand binding at the core of the junction since its binding and cleavage of cruciforms is well documented. Specialized bifunctional ligands were studied in this project that were designed to bind DNA structures that are held in close proximity to one another. These compounds have two identical binding modules that are connected by a linker of various length and rigidity, with each module binding very weakly; however, when both modules bind the binding affinity is greatly enhanced. The interactions of these compounds with cruciforms are currently being studied.
Optimization of Thiolate Stabilized Gold Nanoclusters For Near Infrared Emission in Subcellular Imaging
Creators: name: Conroy, Cecil
Publisher: name: Georgia State University
Year: 2014

description: Monothiolate protected gold nanoclusters with near IR luminescence underwent a five-to-ten fold enhancement of quantum efficiency by heating in the presence of excess thiols. Two monothiolate nanoclusters, mercaptosuccinic acid and tiopronin, were shown to benefit from this procedure. Emission maximum around 700-900 nm is favorable for bioimaging applications due to reduction of background signal from autofluorescence. Dithiolate lipoic acid protected gold nanoclusters with higher near IR quantum efficiency present an interesting candidate for biological imaging due to the difference in hydrophobicity, resistance to quenching by divalent cations and cell growth media, and retained quantum efficiency when coupled to agents such as polyethylene glycol. Intracellular and nuclear internalization of mercaptosuccinic gold nanoclusters demonstrate a potential vector for delivery of nuclear targeting agents. The small size, chemical stability, high luminescence, and potential for targeting various intracellular domains make gold nanoclusters worthwhile for further studies as potential bioimaging probes.
Synthesis and Biochemical Studies of a Novel Thiol Modified Nucleotide
Creators: name: Esmaeili, Razieh
Publisher: name: Georgia State University
Year: 2014

description: Nucleic acids are important bio-macromolecules in living systems. They are involved in important functions like gene expression and regulation. Nucleoside triphosphates serve as precursors for biochemical synthesis of modified nucleic acids and nucleotide coenzymes. The modification of nucleic acids, particularly at nucleobases, can expand the function and chemical properties of nucleic acid. Herein, we report the chemical synthesis of a novel thiol-modified nucleoside S-(3-(acetylthio)propyl)-5-(mercaptomethyl)-uridine and the corresponding nucleotide via a ?new synthetic methodology? developed in our laboratory. The synthesized triphosphate was used for RNA transcription. The activity and nuclease resistance of the transcribed RNA is studied. The results showed that the properties of the nucleotide with thiol functionality are as good as the native. The modified RNA can be used for RNA/protein complex structure studies and gold nanoparticles stabilizer. They can also serve as a probe in DNA/RNA microchip surface functionalization for detection of various diseases and pathogens.
Synthesis Of Pyridyl Ethyl Amides As Potential Antitrypanosomal Agents, And Synthesis Of Arylimidamide-Azole Hybrids As Potential Antileishmanial Agents
Creators: name: Draper, Jennifer
Publisher: name: Georgia State University
Year: 2014

description: Human African Trypanosomiasis (HAT) and Leishmaniasis are protozoal parasitic infections. Designated neglected tropical diseases and global in their impact, these diseases afflict the poorest people in the world. Treatments have remained essentially unchanged for decades and have poor efficacy and questionable safety profiles. In the first study, seventeen novel 2-[2-acylamidoethyl]-6(phenyl)pyridine analogues were designed using a ?hit to lead? strategy, synthesized and submitted for evaluation in vitro against Trypanosoma brucei rhodesiense (T. b. r.) for potential treatment against second stage HAT. Eight compounds gave T. b. r.  IC50 values of 100nM or less; the best three compounds exhibited values of 64 nM, 12 nM, and 9 nM. In the second study, four novel N-(4-(5-(4-((5-(1H-azole-1-yl)pentyl)oxy)phenyl)furan-2-yl)phenyl) picolinimidamide hydrochloride hybrid analogues were designed using a molecular hybridization strategy for dual targeting, synthesized and submitted for evaluation in vitro against Leishmania. Four compounds exhibited IC50 values in the low micromolar range.
Chemical Synthesis of Outer Core Oligosaccharide of Escherichia Coli R3 and Convergent Synthesis of O-glycan Library
Creators: name: Yu, Zaikuan
Publisher: name: Georgia State University
Year: 2015

description: Polysaccharide isotopes are responsible for many pathophysiological responses and can elicit strong immune responses. The first two Chapters demonstrated the chemical synthesis of a conserved and all …?linked Escherichia coli R3 outer core pentasaccharide. This pentasaccharide was conjugated to carrier protein (CRM197) through a propyl amino linker at the reducing end. An immunological analysis demonstrated that this glycoconjugate can elicit specific anti-pentasaccharide antibodies with in vitro bactericidal activity. In Chapter three, a Core Synthesis/ Enzymatic Extension (CSEE) technique for building a comprehensive O-glycan library was proposed. Furthermore, a highly efficient and convergent methodology was designed to synthesize all eight O-glycan core structures in large scale. These two emerging techniques have great potential to enable the investigation of structure-activity relationship between glycans and receptor proteins, thus facilitating the identification of biomedically important glycan isotopes.
Mechanistic study of the antibiofilm effect of QAM-based materials
Creators: name: Wong, Jade
name: Lucena, FS
name: Logan, M
name: Lewis, SH
name: Pfeifer, CS
Publisher: name: Oregon Health and Science University
Year: 2024
Subjects: subject: Biofilms
subject: Anti-Bacterial Agents
subject: Anti-Infective Agents
subject: Ammonium Compounds
subject: Methacrylates
subject: quaternary ammonium methacrylate
subject: antimicrobial
subject: bactericidal mechanism

description: The theory that, in positively charged molecules, longer side chains act as a lancet leading to bacterial disruption remains unproved. Given the flexibility and size of the chain compared with the thickness of the bacterial cell wall, the aim of this study was to elucidate the mechanism through which the combination of chain-length and charge in QAM-containing materials affects biofilm inhibition.
Development of New Series of Protein Based MRI Contrast Agents: ProCA1 Variants and Humanized ProCA32
Creators: name: Patel, Anvi
Publisher: name: Georgia State University
Year: 2015

description: MRI is a noninvasive technique used for disease diagnosis. However, recent clinically used MRI contrast agents exhibit low relaxivity, high metal toxicity due to low dose efficiency and inability to target specific diseased cells. To address the pressing unmet clinical needs, we developed a novel class of protein-based contrast agent, with improved sensitivity, high relaxivity with better metal selectivity, stability and low toxicity. A GRPR-targeted ProCA1 variants designed to selectively target prostate cancer via molecular imaging, were successfully expressed in bacterial expression system and tagless purification, showed about 12 fold higher relaxivities as compared to Gd-DTPA.hProCA32demonstrated strong Gd3+ binding affinity with Kd of 10-22 M and strong selectivity forGd3+ overCa2+and Zn2+, high r1 (28 mM-1 s -1) and r2 (35 mM -1 s -1) and PEGylated-hProCA32 showed excellent in vitro serum stability for 12 days. These studies demonstrate stronger translational potentials of ProCAs for human applications.
Towards High-Precision Mass Measurements at the N=126 Factory
Creators: name: Liu, Biying
Publisher: name: University of Notre Dame
Year: 2025

description: Precise atomic mass measurements are essential for a wide range of nuclear physics studies. Particularly, it is important for studying the rapid neutron capture process (r-process), which is responsible for producing almost half of the heavy elements in the universe. The Canadian Penning Trap (CPT) mass spectrometer at Argonne National Laboratory has been central to these endeavors by measuring radioactive ion masses with high precision through their cyclotron frequency determinations.

This dissertation covers the CPT’s transition from the CARIBU facility towards the new N=126 Factory. During its final two years at the CARIBU facility, a series of measurements were conducted including mass measurements of rhodium isotopes (108, 110, 112, 114, 116, 118Rh) and lanthanide isotopes (149La, 149Ce, 149Pr) presented in this work. For rhodium isotopes, the masses of both the ground state and an isomeric state were determined for 108, 110, 112, 114, 116Rh, and a new possible isomeric state of 114 Rh was observed. Additionally, the measurements of 149La, 149Ce and 149Pr significantly reduced the uncertainties compared to the Atomic Mass Evaluation (AME) values, which are all based on beta-endpoint measurements of Q_beta values, known for their low precision and possible inaccuracy. This work also presents a comprehensive study of systematic effects observed using the Phase-Imaging Ion-Cyclotron-Resonance (PI-ICR) technique. The measurement procedures and data analysis methods, incorporating the impact of systematic effects, are summarized.

By the end of April 2023, the CPT was decommissioned and removed from the CARIBU facility in preparation for its installation at the N=126 Factory, a new radioactive beam (RIB) facility at Argonne National Laboratory (ANL). The N=126 Factory is designed to produce very neutron-rich isotopes, particularly around the N=126 closed shell for the study of the last r-process abundance peak. This dissertation presents the simulation, design, and production yield calculations for the new facility. A key component of the N=126 Factory, the Notre Dame Multi-Reflection Time-of-Flight (ND MR-TOF) spectrometer, will be employed to remove isobaric contaminants accompanying the isotopes of interest. The commissioning and simulation studies of the MR-TOF are presented. Once the N=126 Factory is fully operational, the first planned measurements at the N=126 Factory will target unknown masses of the isotopes of Au (Z=79), Pt (Z=78), Ir (Z=77), and Os (Z=76) near the N=126 shell closure. These measurements will provide vital insights into the robustness of the shell closure and serve as a key test for theoretical mass models.
Discovery of Potent Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Using in silico Virtual Screening & Network Analysis for Evolution of Allosteric Communication in 3-ketosteroid Receptors
Creators: name: Chuo, Shih-Wei
Publisher: name: Georgia State University
Year: 2015

description: Tyrosyl-DNA phosphodiesterase I (TDP1) plays an important role in repair of topoisomerase I-DNA complexes in vivo, and its inhibitors have the potential to enhance the efficacy of the Top1-targeting drugs in anticancer therapy. Nevertheless a large number of TDP1 inhibitors have been reported, none of them has inhibition activity in vivo. We present a virtual screening protocol to explore potent TDP1-selective inhibitors.
3-ketosteroid receptors belong to nuclear receptor family, and their DNA binding domains interact with glucocorticoid response elements (GREs) to regulate gene transcription. With evolution, all of them can bind to activating response element ((+)GRE), but only some exhibit the ability to bind to negative glucocorticoid response element (nGRE). It was found that evolutionary mutations are important to change their binding functions. We have presented dynamic network models to elucidate allosteric communication for selected evolutionary homologues, discussing the correlation between binding characteristics and epistatic mutations from network theory.
Synthesis of Sulfated Polysaccharides for Colitis Mice Model
Creators: name: Ma, Qiang
Publisher: name: Georgia State University
Year: 2015

description: IBD (inflammatory bowel disease) is a pandemic chronic disease of the gastrointestinal tract inducing Ulcerative colitis (UC) and Crhon disease (CD). The inflammation of colon especially associated with the growing risk of developing colon cancer. To extend the research on IBD, chemical mice models are investigated on easy way to induce colitis in rodent. Dextran sulfate salt (DSS) 7 days, 3% in drinking water induce IBD on mice. One of the problem of DSS is that it requires a purification step of mRNA by LiCl. This step induce this mRNA harvest rate quantitatively and qualitatively.
In this study, we synthesized Pullulan Sulfate and Cyclodextrin Sulfate as alternative colitis inducers in mice. The specificity of sulfated polysaccharides in colon versus small intesinte has been confirmed by common gastrointestinal method (pro inflammatory cytokines causes degradation of the epithelium,and the presence of blood in stool.)
INDEX WORDS: IBD, mice model, DSS, mRNA purification, Pullulan and Cyclodextrin.
Cancer Therapeutic Targeting of Hypoxia Induced Carbonic Anhydrase IX: From Bench to Bedside
Creators: name: McDonald, Paul C.
name: Chafe, Shawn C.
name: Supuran, Claudiu T.
name: Dedhar, Shoukat, 1952-
Publisher: name: Multidisciplinary Digital Publishing Institute
Year: 2023

description: Carbonic Anhydrase IX (CAIX) is a major metabolic effector of tumor hypoxia and regulates intra- and extracellular pH and acidosis. Significant advances have been made recently in the development of therapeutic targeting of CAIX. These approaches include antibody-based immunotherapy, as well as use of antibodies to deliver toxic and radioactive payloads. In addition, a large number of small molecule inhibitors which inhibit the enzymatic activity of CAIX have been described. In this commentary, we highlight the current status of strategies targeting CAIX in both the pre-clinical and clinical space, and discuss future perspectives that leverage inhibition of CAIX in combination with additional targeted therapies to enable effective, durable approaches for cancer therapy.
Aktualisierung der Emissionsfaktoren für Großfeuerungsanlagen
Creators: name: Beckers, Rolf
name: Juhrich, Kristina
Publisher: name: Umweltbundesamt
Year: 2019
Subjects: subject: Luftschadstoff
subject: Großfeuerungsanlage
subject: Bestandsaufnahme
subject: Emissionsfaktor
subject: Stickstoffdioxid
subject: Staub
subject: Quecksilber
subject: Kohlenmonoxid
subject: Emissionen
subject: Inventar
subject: Schwefeldioxid
subject: Klima | Energie

description: Großfeuerungsanlagen sind nach wie vor eine wichtige Emissionsquelle für verschiedene Luftschadstoffe. Bis Mitte der 1990er Jahre kam es zu deutlichen Emissionsrückgängen bei Staub, Schwefeldioxid, Stickstoffdioxid und Kohlenmonoxid. Danach blieben die spezifischen Emissionen über viele Jahre weitgehend stabil. Im Zuge von gesetzlichen Änderungen, einer veränderten Zusammensetzung des Anlagenparks sowie geänderten Brennstoffeinsätzen kam es in den letzten Jahren zu einer deutlichen Minderung für Schwefeldioxid (SO2) aber auch zu Änderungen bei NOX und Staub. Daher war eine Aktualisierung der bestehenden Faktoren zwingend notwendig. Aufgrund der gesetzlichen Regelungen und der damit verbundenen Messverpflichtungen, sind für diese Schadstoffe umfangreiche Daten vorhanden. Die verfügbaren Emissionswerte wurden für verschiedene Jahre ausgewertet. Als Ergebnis werden die spezifischen Emissionsfaktoren in dem folgenden Dokument dargestellt und gegebenenfalls qualitativ bewertet. Quelle: http://www.umweltbundesamt.de/
description: Large combustion plants are still a major source of emissions of various air pollutants. By the mid-1990s, emissions of particulate matter, sulphur dioxide, nitrogen dioxide and carbon monoxide had declined significantly. Thereafter, the specific emissions remained largely stable over many years. In the course of regulatory changes, a changing composition of the plant park as well as changes in fuel usage, there has been a significant reduction for sulphur dioxide (SO2) in recent years, but also changes for NOX and particulate matter. It was therefore essential to update the existing factors. Due to the regulatory requirements and the associated monitoring obligations, extensive data are available for these pollutants. The available emission values were evaluated for various years. As a result, the specific emission factors are presented in the following document and, if necessary, qualitatively evaluated. Quelle: http://www.umweltbundesamt.de/
description: Aufgrund verschiedener internationaler Abkommen ist Deutschland verpflichtet, Emissionen für Luftschadstoffe jährlich zu berichten. Die Berechnung der Emissionsinventare erfolgt mit Hilfe der aus der Statistik bekannten Brennstoffeinsätze und den dazugehörigen brennstoffspezifischen Emissionsfaktoren. Für Großfeuerungsanlagen liegen aufgrund zahlreicher Messungen umfangreiche Daten zu Luftschadstoffen vor. Diese Daten wurden für die Emissionsberechnung ausgewertet, berechnet und qualitätsgeprüft. Der Bericht enthält die Auswertung und Beschreibung der Emissionsfaktoren für die Jahre 2005 – 2016.
Spectroscopic Studies of Cyanine Dyes and Serum Albumins for Bioanalytical Applications
Creators: name: Lewis, Erica
Publisher: name: Georgia State University
Year: 2015

description: The use of cyanine dyes in bioanalytical applications has become a widely explored topic of interest in chemistry. Their ability to absorb and fluoresce in the UV-visible and near-infrared region of the electromagnetic spectrum benefits their use as imaging probes and fluorescent labels due to the reduced auto-fluorescence from biological molecules. The behavior of these dyes lies in their structure which consists of two nitrogen containing heterocycles joined by an electron deficient polymethine bridge that allows specific energy transitions to occur. The first portion of this work aims to explore dye functionality for analytical applications regarding the non-covalent labeling of bovine serum albumin. The second portion of the work explores dye interactions with human serum albumin in biological membrane mimetic environments using the ternary system of sodium dioctyl sulfosuccinate (AOT) in water and n-heptane.
Glycosylation of Amino Acids and Efficient Synthesis of Glycosphingolipids
Creators: name: Wooten, Jonathan
Publisher: name: Georgia State University
Year: 2015

description: Glycoscience is an emerging field of science that focuses on the study of the structure, biosynthesis, biology, and evolution of saccharides (sugars). It covers a broad range of subjects including microwave-assisted synthesis as well as sphingolipid synthesis. In this field, knowledge is limited due to the complexity of carbohydrates and their derivatives. Therefore, it is all the more important that synthesis of these complex molecules occurs in order to fully understand their biological significance. The following report summarizes two aspects of glycoscience and discusses their biological applications.
G-quadruplex Polymorphism: a Winding Road from Structure to Therapeutics
Creators: name: Stroeva, Ekaterina
Publisher: name: Georgia State University
Year: 2015

description: Structural and folding patterns of promoter regions (c-MYC, BCL) and telomeric (TTAGGG repeats) G-Quadruplexes were explored and their interactions with small molecules were tested. EAO-108 and MHI-21, symmetric heptamethine cyanines, were identified to exhibit strong interaction with the telomeric G-Quadruplex (mixed hybrid-1), while promoter region G-Quadruplexes were discriminated against. ZK-26 binds strongly to the c-MYC derivative and it is capable of discriminating between (3+1) hybrid-1 and -2 telomeric G-Quadruplexes with an initial binding preference towards the latter. To aid future binding studies, a novel labeling method is also described in this work.
Synthesis and Characterization of New Near-Infrared Chromophores: Cyanine and Phenoxazine Derivatives
Creators: name: Soriano Juarez, Eduardo
Publisher: name: Georgia State University
Year: 2015

description: This thesis reports the synthesis of new near infrared dyes in three chapters. The first two chapters outline the synthetic procedure for synthesizing mono- and pentamethine cyanine dyes. The initial chapter encompasses the synthesis of asymmetric monomethine dyes with red-shifted optical properties. The second chapter involves the synthesis and assessment of new symmetrical quinolin-4-yl and phenanthridin-6-yl pentamethine dyes as potential oxidative DNA cleavage agents. The last chapter of the thesis details the synthesis and evaluation of new phenoxizinum dyes as contrast agents for insulunomia, a pancreatic cancer. Furthermore, all new compounds were characterized via NMR and their coherent optical properties were obtained.