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In Silico And In Vitro Evaluation Of The Biological Activity Of Some Organic Sulfur-Containing Compounds, Victoria Osipova, Maria Polovinkina, Anastasia Osipova, Yulia Gracheva, Andrey Okhlobystin

Turkish Journal of Chemistry

It was predicted, using the Prediction of Activity Spectra for Substances online software, that organic sulfur-containing compounds 2,6-di-tert-butyl-4-mercaptophenol (1), 2,6-di-tert-butyl-4-(3-mercaptopropyl)phenol (2), bis-3-[3,5-di-tert-butyl-4-hydroxyphenyl)propyl] sulfide (3), bis(3,5-di-tert- butyl-4-hydroxyphenyl) disulfide (4), diphenyl disulfide (5), dibenzyl disulfide (6), dibutyl disulfide (7), di-tert-butyl disulfide (8), diallyl disulfide (9), and methyl propyl trisulfide (10) could possess antioxidant activity and act as active scavengers of oxygen metabolites. The antiradical activity of these species was analyzed and it was shown that they were able to react with electrochemically generated the superoxide anion radical. The rate constants for reactions of 1-10 with the superoxide anion radical were calculated. The …

N-Methyl Mesoporphyrin Ix As A Highly Selective Light-Up Probe For G-Quadruplex Dna, Ariana Yett , '21, Linda Yingqi Lin , '20, Dana Beseiso , '21, Joanne Miao , '22, Liliya A. Yatsunyk

Chemistry & Biochemistry Faculty Works

N-methyl mesoporphyrin IX (NMM) is a water-soluble, non-symmetric porphyrin with excellent optical properties and unparalleled selectivity for G-quadruplex (GQ) DNA. G-quadruplexes are non-canonical DNA structures formed by guanine-rich sequences. They are implicated in genomic stability, longevity, and cancer. The ability of NMM to selectively recognize GQ structures makes it a valuable scaffold for designing novel GQ binders. In this review, we survey the literature describing the GQ-binding properties of NMM as well as its wide utility in chemistry and biology. We start with the discovery of the GQ-binding properties of NMM and the development of NMM-binding aptamers. We then discuss …

In-Silico Design And Synthesis Of Selective Estrogen Receptor Modulators Targeting Ovarian Cancer, John Apraku

Electronic Theses and Dissertations

The established records of the safety of Ormeloxifene along with its favorable bioavailability and ability to inhibit rapid cell proliferation in the endometrium during embryonic implantation has made it one of the best drug candidates for controlling undesirable rapid cell growth such as endometriosis and cancerous tumor conditions. Recent studies have confirmed the effectiveness of Ormeloxifene to suppress and inhibit epithelial-mesenchymal transition process as evidenced by repression of N-cadherin, slug, snail, vimentin, MMPs, β-catenin/TCF-4 transcriptional activity and induce the expression of pGSK3b. Recently conducted studies have revealed the dynamic binding of ormeloxifene with β-catenin, GSK3b, CDK4, and other downstream EGFR. …

A Study To Regioselectively Access Fluorinated Triazoles And Isoxazoles, Sweta Adhikari

Electronic Theses and Dissertations

The objective of the thesis is to develop regioselective methods for mono-fluorination of disubstituted triazoles, both 1,4- and 1,5-regioisomer, and isoxazoles. These strategies focus on one-pot direct access to final mono-fluorinated triazoles and isoxazoles. Eventually, these fluorinated substrates will be screened against various biological targets. Similarly, the optimization study of a regioselective method to generate 5-fluoro-1,4-disubstituted triazole was conducted. This reaction also utilized 1,3-dipolar cycloaddition to synthesize fluorinated triazole. However, difluoroalkene was used as a synthetic equivalent of fluoroalkyne for this method. This resulted into the inversion of polarity affording a different regioisomer. Here, fluoronitroalkene was identified as a synthetic …

How To Search For Life In Martian Chemical Sediments And Their Fluid And Solid Inclusions Using Petrographic And Spectroscopic Methods, Kathleen C. Benison

Faculty & Staff Scholarship

Abundant resources and efforts have been employed in the search for life on Mars. Satellites, landers, and rovers have tested atmospheric gases, general sediment and rock compositions, and images of Mars surface in an effort to detect biosignatures left by any possible modern or ancient life. Chloride and sulfate minerals suggestive of past acid saline lakes have been found on Mars. In terrestrial acid brine environments, these minerals trap microorganisms and organic compounds and preserve them within fluid inclusions and as solid inclusions for long geologic time periods. Some cells remain viable, especially in the isolated, microscopic aqueous environments of …

Data Sharing At Scale: A Heuristic For Affirming Data Cultures, Lindsay Poirier, Brandon Costelloe-Kuehn

Statistical and Data Sciences: Faculty Publications

Addressing the most pressing contemporary social, environmental, and technological challenges will require integrating insights and sharing data across disciplines, geographies, and cultures. Strengthening international data sharing networks will not only demand advancing technical, legal, and logistical infrastructure for publishing data in open, accessible formats; it will also require recognizing, respecting, and learning to work across diverse data cultures. This essay introduces a heuristic for pursuing richer characterizations of the “data cultures” at play in international, interdisciplinary data sharing. The heuristic prompts cultural analysts to query the contexts of data sharing for a particular discipline, institution, geography, or project at seven …

Oleic Acid Vesicles: Formation, Mechanisms Of Reactivity, And Uses In Determination Of Terpene Activity, Laura A. Walther

Theses and Dissertations--Chemistry

This dissertation will focus on the volatile compounds released upon the burning of incense which are numerous and varied. The first part of this dissertation is the gas chromatography-mass spectral (GC-MS) analysis of burning incense collected via solid phase microextraction (SPME) with the aim of developing a library of compounds found in incense as used in the Orthodox church.

The second part of this dissertation has the aim of developing a method for forming oleic acid bilayer vesicle membranes and a fluorescence spectroscopy method by which the reactivities of these vesicles can be analyzed. These reactivities include permeability, fluidity, aggregation, …

Some New Generalized Distribution Via Lindley-Weibuli And Lindley-Log-Logistic Distributions With Applications, Soliu A. Raheem

College of Graduate Studies: Theses & Dissertations

In this thesis, new generalized distributions, namely Beta Lindley-Log-Logistic (BLLLoG) distribution, Marshall-Olkin Lindley-Weibull (MOLW) distribution, and Gamma LindleyWeibull (GLW) distribution as well as related sub-distributions are proposed. Series expansion of the densities are obtained. Statistical properties of these distributions, including hazard function, reverse hazard function, moments, reliability, quantile function, mean deviations, Bonferroni and Lorenz curves, entropy and Fisher information are derived. Method of maximum likelihood is used to estimate the parameters of the new distributions. Monte Carlo simulation is employed to examine the performance of the proposed distributions. Applications of the generalized distributions to real lifetime data are presented to …

Synthesis And Development Of Nanocomposites Of Magnetic Nanoparticles-Silica-Mannan As Vaccine Adjuvants, Kamonlatth Rodponthukwaji

Chulalongkorn University Theses and Dissertations (Chula ETD)

Over the past years, vaccination has been considered as an effective treatment against a wide range of pathogens and diseases. Despite a promising outcome, the lack of strong immune response of some types of vaccines is still challenging. Therefore, targeting and activating dendritic cells (DCs) using nanomaterial-based vaccine adjuvant is of our interest. Herein, superparamagnetic iron oxide nanoparticles (SPIONs) have been exploited as directing agents to the targeted dendritic cells (DCs). In addition, mannan extracted from Saccharomyces cerevisiae was used as targeting molecules for targeting DCs. Nanocomposites of silica-magnetic nanoparticles-mannan (S-SPION-MN) were successfully fabricated. The synthesized particles were morphologically and …

Chemical Synthesis Of Galacto-Oligosaccharides And Evaluation Of Their Prebiotic Properties, Pranpariya Ponpakdee

Chulalongkorn University Theses and Dissertations (Chula ETD)

Galacto-oligosaccharides (GOS) are composed of galactose and glucose between 2–8 units or disaccharide comprising 2 units of galactose linked by glycosidic bonds. GOS exhibits prebiotic activity and widely used in infant formula. Commercial GOS was achieved as mixture by enzymatic synthesis of lactose with β-galactosidase. Due to the nature of the enzymatic derived-GOS, the structure-activity relationship of GOS and prebiotic activity is mainly ambiguous. In this work, we presented the development towards a production of GOS by chemical synthesis starting from lactose. First, lactose was isolated from liquid whey with 3.90% w/v recovery. Lactose was then hydrolyzed to produce galactose …

2006 - Salinas Valley Integrated Regional Water Management Functionally Equivalent Plan Summary Document Update

Miscellaneous Monterey and San Luis Obispo County Documents and Reports

The California Department of Water Resources (DWR) and the State Water Resources Control Board (SWRCB) are encouraging local and regional water management planners to establish integrated regional water management plans through the collaboration of planning efforts and project coordination. The intent is to encourage planners to implement projects focused on meeting multiple water resources needs on a regional basis. Jointly, both agencies are soliciting grant applications for Proposition 50 Chapter 8 grant funding, which was established to provide a fiscal tool to support integrated regional water management. In order to take advantage of this funding opportunity, Monterey County Water Resources …

Green Synthesis/Biosynthesis Of Silver Nanoparticles By Using Orange Peel Extract, Leela Joshi

Theses and Dissertations

Joshi, Leela, Green Synthesis/Biosynthesis of Silver Nanoparticles by Using Orange Peel Extract. Master of Science (MS), December, 2018, 40 pages, 23 figures, references, 36 titles. In this work, we report synthesis of silver nanoparticles (AgNPs) with an average size of ~6 nm. The aqueous solution of Ag+ ions is reduced using an aqueous extract from orange peel (Citrus Sinensis) at varying pHs. Reduction of Ag+ ions in solution was monitored using UV-visible absorption spectroscopy, and the corresponding surface plasmon resonance of AgNPs at 435 nm. The solution changed color from yellow to reddish-brown upon bioreduction of silver nitrate in orange …

Carbon Monoxide On Demand: Light-Induced Co Release Of Flavonols, Stacey N. Anderson

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Carbon monoxide (CO) is an extremely useful molecule with applications in industrial manufacturing, synthetic procedures as a C1 building block, and as a potential pharmaceutical to produce anti-inflammatory effects and vasodilation. However, the toxicity associated with CO has prevented its full utilization. In order to safely handle CO, compounds and molecules have been developed that act as storage materials for the gas. Ideal storage platforms only release CO upon stimulation via a trigger. Light activation is the most desirable trigger as it can be regulated in terms of the intensity and the wavelength of light used. The majority of light-induced …

Development Of Functional Chemical Probes For The Study Of Viscosity, Fe(Ii), And Ferroptosis And Photo-Triggered Drug Delivery, Yongyi Wei

Chemistry and Chemical Biology ETDs

Small molecule probes are useful tools for the study of biology. In particular, the dye derived fluorescence probes enable to spatiotemporally monitor the events of analytes of interest. The noninvasive feature is particularly attractive for the biological studies in live cells. The challenge is to develop chemical probes capable of detection of the analyte of interest with high specificity.

Toward this end, my Ph. D. study centers on the development of novel chemical probes for the study and understanding of the alternation of important cellar contents and substances and their functions and relationship between normal and disease states. In the …

Intranasal Rapamycin Ameliorates Alzheimer-Like Cognitive Decline In A Mouse Model Of Down Syndrome, Antonella Tramutola, Chiara Lanzillotta, Eugenio Barone, Andrea Arena, Ilaria Zuliani, Luciana Mosca, Carla Blarzino, D. Allan Butterfield, Marzia Perluigi, Fabio Di Domenico

Chemistry Faculty Publications

Background: Down syndrome (DS) individuals, by the age of 40s, are at increased risk to develop Alzheimer-like dementia, with deposition in brain of senile plaques and neurofibrillary tangles. Our laboratory recently demonstrated the disturbance of PI3K/AKT/mTOR axis in DS brain, prior and after the development of Alzheimer Disease (AD). The aberrant modulation of the mTOR signalling in DS and AD age-related cognitive decline affects crucial neuronal pathways, including insulin signaling and autophagy, involved in pathology onset and progression. Within this context, the therapeutic use of mTOR-inhibitors may prevent/attenuate the neurodegenerative phenomena. By our work we aimed to rescue mTOR signalling …

Interactions Between Spermine-Derivatized Tentacle Porphyrins And The Human Telomeric Dna G-Quadruplex, Navin C. Sabharwal , '14, Jessica Chen , '17, Joo Hyun Lee , '17, C. M. A. Gangemi, A. D'Urso, Liliya A. Yatsunyk

Chemistry & Biochemistry Faculty Works

G-rich DNA sequences have the potential to fold into non-canonical G-Quadruplex (GQ) structures implicated in aging and human diseases, notably cancers. Because stabilization of GQs at telomeres and oncogene promoters may prevent cancer, there is an interest in developing small molecules that selectively target GQs. Herein, we investigate the interactions of meso-tetrakis-(4-carboxysperminephenyl)porphyrin (TCPPSpm4) and its Zn(II) derivative (ZnTCPPSpm4) with human telomeric DNA (Tel22) via UV-Vis, circular dichroism (CD), and fluorescence spectroscopies, resonance light scattering (RLS), and fluorescence resonance energy transfer (FRET) assays. UV-Vis titrations reveal binding constants of 4.7 × 10⁶ and 1.4 × 10⁷ M⁻¹ and binding stoichiometry of …

Synthesis And Biological Evaluation Of Phaeosphaeride A Derivatives As Antitumor Agents, Victoria Abzianidze, Petr Beltyukov, Sofya Zakharenkova, Natalia Moiseeva, Jennifer Mejia, Alvin Holder, Yuri Trishin, Alexander Berestetskiy, Victor Kuznetsov

Chemistry & Biochemistry Faculty Publications

New derivatives of phaeosphaeride A (PPA) were synthesized and characterized. Anti-tumor activity studies were carried out on the HCT-116, PC3, MCF-7, A549, К562, NCI-Н929, Jurkat, THP-1, RPMI8228 tumor cell lines, and on the HEF cell line. All of the compounds synthesized were found to have better efficacy than PPA towards the tumor cell lines mentioned. Compound 6 was potent against six cancer cell lines, HCT-116, PC-3, K562, NCI-H929, Jurkat, and RPMI8226, showing a 47, 13.5, 16, 4, 1.5, and 7-fold increase in anticancer activity comparative to those of etoposide, respectively. Compound 1 possessed selectivity toward the NCI-H929 cell line (IC …

Tumour-Immune Dynamics With An Immune Checkpoint Inhibitor, Elpiniki Nikolopoulou

Annual Symposium on Biomathematics and Ecology Education and Research

No abstract provided.

Bayesian And Semi-Bayesian Estimation Of The Parameters Of Generalized Inverse Weibull Distribution, Kamaljit Kaur, Kalpana K. Mahajan, Sangeeta Arora

Journal of Modern Applied Statistical Methods

Bayesian and semi-Bayesian estimators of parameters of the generalized inverse Weibull distribution are obtained using Jeffreys’ prior and informative prior under specific assumptions of loss function. Using simulation, the relative efficiency of the proposed estimators is obtained under different set-ups. A real life example is also given.

Synthesis And Evaluation Of Densely-Functionalized Troponoids, Danielle R. Hirsch

Dissertations, Theses, and Capstone Projects

Herein, we document our efforts to expand the scope of troponoid synthetic methodology towards densely-substituted scaffolds. This body of work has focused primarily on an oxidopyrylium cycloaddition/ring-opening strategy for the synthesis and biochemical evaluation of troponoids for assistance in a variety of medicinal chemistry studies. In Chapter 1, we outline the use of this synthetic strategy in the profiling of a library of synthetic αHTs against an aminoglycoside antibiotic resistance enzyme known as aminoglycoside-2’’-O-nucleotidyltransferase [ANT(2’’)-Ia]. Enzymatic mechanistic insights have been gleaned from an assessment of troponoid/antibiotic synergistic potential. In particular, two synthetic constructs were identified as promising antibiotic adjuvant candidates, …

Redefining The Scope Of Prenylation: Discovery Of “Forbidden” Substrate Recognition And Development Of Methods Utilizing Prenylated Proteins, Melanie Jane Blanden

Dissertations - ALL

Post-translational modifications play a central role in controlling biological function and cell behavior through changes in protein structure, activity, and localization. Prenylation is one such modification wherein a 15- or 20-carbon isoprenoid group is attached to a cysteine residue near the C-terminus of a substrate protein by one of three enzymes: protein farnesyltransferase (FTase), protein geranylgeranyltransferase type I (GGTase-I) or protein geranylgeranyltransferase type II (GGTase-II, also known as Rab GGTase). These covalent modifications can aid in protein association with cellular membranes, with this localization necessary for function of many prenylated proteins. FTase and GGTase-I have been proposed to recognize a …

Tof-Sims Analysis Of Plant Seed Interactions With Plant Growth-Promoting Bacteria, Tammy Pheuphong, Rachel Komorek, Xiao-Ying Yu

STAR Program Research Presentations

The use of time-of-flight secondary ion mass spectrometry (ToF-SIMS) in plant biology is a relatively unexplored and quickly developing field. The majority of research in plant SIMS involves the application of ToF-SIMS to study dried wood tissues, and only a handful of studies apply SIMS on plant stems, roots, and/or seeds. Our project provides a brief description and review of previous work using SIMS on plant stems, roots, and/or seeds, along with an emphasis on the sample preparation in each study. Additionally, the use of Brachypodium distachyon (Brachypodium) as a model system for research on grasses has also become more …

Empirical Bayesian Approach To Testing Multiple Hypotheses With Separate Priors For Left And Right Alternatives, Naveen K. Bansal, Mehdi Maadooliat, Steven J. Schrodi

Mathematics, Statistics and Computer Science Faculty Research and Publications

We consider a multiple hypotheses problem with directional alternatives in a decision theoretic framework. We obtain an empirical Bayes rule subject to a constraint on mixed directional false discovery rate (mdFDR≤α) under the semiparametric setting where the distribution of the test statistic is parametric, but the prior distribution is nonparametric. We proposed separate priors for the left tail and right tail alternatives as it may be required for many applications. The proposed Bayes rule is compared through simulation against rules proposed by Benjamini and Yekutieli and Efron. We illustrate the proposed methodology for two sets of …

Development And Commissioning Of An Independent Peer Review System For A Small Animal Irradiator, Mary Peters

Dissertations and Theses (Open Access)

Dosimetry for small animal irradiators lacks the standardization of clinical radiotherapy practice, yet plays a central translational role in human trial design. The purpose of this work was to improve the dosimetric accuracy and consistency of animal studies by developing an independent peer review system to verify dose delivery from animal irradiators. This study focused on the development of a mouse phantom and characterization of the thermoluminescent dosimetry system for a commonly used small animal irradiator.

First, a mouse model and irradiation stand were designed with the purpose of being used in a mailable audit. Two mouse phantoms were machined …

Measuring The Interaction And Cooperativity Between Ionic, Aromatic, And Nonpolar Amino Acids In Protein Structure, Mason Scott Smith

Theses and Dissertations

Protein folding studies have provided important insights about the key role of non-covalent interactions in protein structure and conformational stability. Some of these interactions include salt bridges, cation-π, and anion-Ï€ interactions. Understanding these interactions is crucial to developing methods for predicting protein secondary, tertiary, quaternary structure from primary sequence and understanding protein-protein interactions and protein-ligand interactions. Several studies have described how the interaction between two amino acid side chains have a substantial effect on protein structure and conformational stability. This is under the assumption that the interaction between the two amino acids is independent of surrounding interactions. We are interested …

Photochemical Expulsion Of Leaving Groups From A Naphthothiophene-2-Carboxamide Linked To A Chromophore, Lingzi Li

Dissertations (1934 -)

Two bichromophoric systems were synthesized which have thioxanthone as the chromophore that absorbs the incident light and a naphthothiophene-2-carboxanilide, which serves as a triplet excited state energy acceptor. Upon excitation the triplet excited state of the thioxanthone is populated via intersystem crossing, which is efficient with isc = 0.68. Based on the relative energies of the triplet excited states of thioxanthone (ET = 65 kcal mol-1) and naphthothiophene (ET = 51 kcal mol-1), the subsequent triplet excited state energy transfer to generate the triplet excited state of the naphthothiophene-2-carboxamide should be a very rapid process that is 14 kcal mol1 …

Chemical Investigation Of Bioactive Marine Extracts, Selam Hagos

USF Tampa Graduate Theses and Dissertations

Natural products have been a fundamental source of medicinal scaffolds for decades; with sixty percent of marketed drugs. Many synthetic chemists are focused on synthesizing potent and nontoxic compounds for pharmaceutical targets, however, nature is still proving to be a source of new bioactive compounds. Produced by the host organism for defense, reproduction and communication, secondary metabolites also demonstrate promising bioactivity against human pathogens. Hence, natural product chemists continue their quest for new leads.

As a continuation of these efforts, this thesis attempts to explore fungi and sponges for new chemistry, and ultimately, new drug candidates. Antarctica is largely untapped; …

Ripple Effects Of The Belo Monte Dam: A Syndemic Approach To Addressing Health Impacts For The Downstream Community Of Gurupá, Cynthia A. Pace

USF Tampa Graduate Theses and Dissertations

This dissertation examines the public health impacts of a large dam project on a downstream community using the framework of Syndemic Theory. The particular focus is the Belo Monte Dam, located in the Brazilian Amazon, and its impact on the community of Gurupá, Pará. At the present time the Belo Monte Dam, which is nearing completion, stands out in scale as being the world’s third largest dam complex. Gurupá is a community well known (and well-studied) in the social science literature as Amazon Town. The aims of this study are to assess the pre-existing public health of Gurupá, as well …

Visualization And Quantification Of Cancer-Associated Enzymes With Fluorescent Small-Molecule Substrate Probes, Zhenhua Shen

LSU Doctoral Dissertations

Fluorescence imaging can be used both as a tool to diagnose diseases and guide treatment in clinical settings, and as a technique to monitor dynamic events or biological species in basic research. Therefore, there is a great need for the development of a multitude of fluorescent probes that can be incorporated with fluorescence imaging techniques to track and report endogenous enzymes with high specificity and selectivity. In contrast to always-on and targeted always-on fluorescent probes that continually emit light, activity-based substrate probes either emit low numbers of photons or are completely quenched. They can be converted to highly fluorescent reporters …

Bird Abundance At Bird Feeders In Response To Temperature, Wind Speed And Precipitation During The Winter Season, Siddhant Kahal

Master's Theses

The goal of this project is to explore how 23 different bird species respond to 3 climatic attributes. These attributes are lower than average temperatures, wind speed and precipitation level. Information about the bird species and all of the data associated with them is provided by Project FeederWatch (PFW). This is a citizen based survey study that provides key information about bird species abundance through the use of backyard and community feeders. The study volunteers from across the United States and Canada monitor these bird feeders and note important information about the species such as the number of individuals seen. …